Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_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=4.08997417986393
cohesive_energy=2.8502318916679323
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=[9.00674810039538e-20, 1.419446786715666e-19, 1.8592779184579797e-19, 2.23412316374862e-19, 2.55088950605676e-19, 2.8220739231276e-19, 3.05656849527984e-19, 3.2607338637504597e-19, 3.4398892549643398e-19, 3.59951411300976e-19, 3.7442387283589796e-19, 3.87657851832738e-19, 3.9969660706061396e-19, 4.1049047104387196e-19, 4.200106046031e-19, 4.2827943821117394e-19, 4.35353048050284e-19, 4.41298725539058e-19, 4.46183762096124e-19, 4.50065836080306e-19, 4.53002625850428e-19, 4.5504219670551e-19, 4.562342161212059e-19, 4.5662194286663395e-19, 4.56206979118428e-19, 4.54867559452404e-19, 4.52440261851894e-19, 4.48703985941406e-19, 4.43221337499858e-19, 4.35345037167114e-19, 4.24331674984998e-19, 4.0934972128046395e-19, 3.8946510707588997e-19, 3.6363481538254193e-19, 3.3074373126315597e-19, 2.8953414606004195e-19, 2.38498411560606e-19, 1.7577960504604198e-19, 9.89956102969188e-20, 5.031219153152159e-21, -1.099182892815504e-19, -2.50149440043054e-19, -4.2054733377548993e-19, -6.271608281428619e-19, -8.784157700633759e-19, -1.1865591977273279e-18, -1.568756831591394e-18, -2.05067393915562e-18, -2.67384054094992e-18, -3.50362384146486e-18, -4.6354815245541595e-18, -6.168620367395099e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.85410000009112e-06 eV

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

Energy: 0.008587301850814667
Energy: 0.29925720107687925
Energy: 0.008821537243152485
Energy: 0.008717248885570813
Energy: 0.2984644564039585
Energy: 0.008892815764809082
Energy: 0.2992572010675421
Energy: 0.0665516890119498
Energy: 0.06665878783107064
Energy: 0.06666986942921875
Energy: 0.06662557915274885
Energy: 0.06692201419184098
Energy: 0.008821537241954718
Energy: 0.06665878783131564
Energy: 0.0666907364345319
Energy: 0.008933115657031143
Energy: 0.06656461091971445
Energy: 0.06720781986374434
Energy: 0.008717248885570813
Energy: 0.06666986942897375
Energy: 0.008933115657031143
Energy: 0.008737370869609531
Energy: 0.06659619025860801
Energy: 0.008907365670881889
Energy: 0.2984644564008416
Energy: 0.06662557915130607
Energy: 0.06656461092043582
Energy: 0.06659619025883938
Energy: 0.06662488160957862
Energy: 0.06694481526673457
Energy: 0.008892815764809082
Energy: 0.06692201419184098
Energy: 0.06720781986254659
Energy: 0.008907365671126887
Energy: 0.06694481526648957
Energy: 0.008917838803404637

minimum gb energy = 0.008587301850814667 eV
minimum distance =  2.88810635891844 Angstroms
sigma value = 1


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

Energy: 0.856005777969542
Energy: 0.8334946092219335
Energy: 0.5784400284751766
Energy: 0.5185060269599516
Energy: 0.8249122937378509
Energy: 0.5779240311149111
Energy: 0.7783464056567164
Energy: 0.5405478905294459
Energy: 0.5364433479242471
Energy: 0.5296788517972697
Energy: 0.5496810059478806
Energy: 0.542637802789966
Energy: 0.7791444901718492
Energy: 0.5501707490966319
Energy: 0.5502709819812289
Energy: 0.549045041258672
Energy: 0.5425635054982617
Energy: 0.5374524211520436
Energy: 0.8611608513371733
Energy: 0.5381248753927728
Energy: 0.5422876298961455
Energy: 0.5365092215846534
Energy: 0.5381564943390745
Energy: 0.5424105430870529
Energy: 0.7925636235230157
Energy: 0.5438594565972479
Energy: 0.5424027251212855
Energy: 0.5309710007389545
Energy: 0.5073202758410743
Energy: 0.5416517130451175
Energy: 0.7767812483904898
Energy: 0.5516214940979833
Energy: 0.5525723236587055
Energy: 0.5320693788942347
Energy: 0.5076773922701295
Energy: 0.5481837383414624
Energy: 0.778202558327245
Energy: 0.5125620234850299
Energy: 0.54928846609856
Energy: 0.5315373338447573
Energy: 0.5126438748577374
Energy: 0.5482863039770979
Energy: 0.7510258921190451
Energy: 0.5484261810902832
Energy: 0.5488130612119295
Energy: 0.5082574235988183
Energy: 0.533912314870338
Energy: 0.5063800563032383
Energy: 0.6292490244098208
Energy: 0.5314681556048588
Energy: 0.5315414687870282
Energy: 0.5506482474167383
Energy: 0.5401653874224724
Energy: 0.5526365301781948
Energy: 0.6255754586001738
Energy: 0.5422726413018323
Energy: 0.5421885293585895
Energy: 0.5071249767252463
Energy: 0.5319762720818024
Energy: 0.5430438281853133
Energy: 0.6090188114076065
Energy: 0.5343129833973679
Energy: 0.535175391468409
Energy: 0.5629114430138575
Energy: 0.5338361662153347
Energy: 0.5438172144728761
Energy: 0.5625011019944995
Energy: 0.5443070777907755
Energy: 0.5393079518894891
Energy: 0.5628501003369444
Energy: 0.5482438911661788
Energy: 0.5362048795550669
Energy: 0.5611950468334925
Energy: 0.533112848236296
Energy: 0.5325758633371472
Energy: 0.5500296676854989
Energy: 0.5505644352369559
Energy: 0.5446121329519195
Energy: 0.6072906912880234
Energy: 0.5427754726629174
Energy: 0.5418351145179864
Energy: 0.5490890521305127
Energy: 0.5360369780195913
Energy: 0.5384366718654992
Energy: 0.5822584697383462
Energy: 0.5312818736729614
Energy: 0.5412892786634439
Energy: 0.5538484639111301
Energy: 0.521580156984527
Energy: 0.5357179649626711
Energy: 0.5829111988539182
Energy: 0.5348439762128554
Energy: 0.5339472737551053
Energy: 0.5588059877816693
Energy: 0.5501132499802456
Energy: 0.5450064560354202
Energy: 0.7238195234887433
Energy: 0.5365845135428936
Energy: 0.5479790862856746
Energy: 0.5363734408061525
Energy: 0.5339022670631156
Energy: 0.5461283692866595
Energy: 0.7001898221044089
Energy: 0.5009638400722518
Energy: 0.5500991818151636
Energy: 0.5428392474424133
Energy: 0.501722574133011
Energy: 0.5502313356590615
Energy: 0.7008973722851782
Energy: 0.5506112054998583
Energy: 0.5506537093866519
Energy: 0.5339984950793647
Energy: 0.5003870140028478
Energy: 0.5501636086877376
Energy: 0.7474250831261579
Energy: 0.5515493830547212
Energy: 0.5507483249890055
Energy: 0.5329348110016529
Energy: 0.5002953656889695
Energy: 0.5500266077074042
Energy: 0.810410844903728
Energy: 0.5429507062226849
Energy: 0.5374682526837199
Energy: 0.5325142955797884
Energy: 0.542913457936329
Energy: 0.5352244013252272
Energy: 0.8143799052695038
Energy: 0.5529336488758286
Energy: 0.5463877818462114
Energy: 0.5480912407273216
Energy: 0.5595845823714506
Energy: 0.5384777686876753
Energy: 0.8030912818339268
Energy: 0.5398988752294727
Energy: 0.5359611002162804
Energy: 0.5412842576115505
Energy: 0.5521349930872322
Energy: 0.5426389624463152

minimum gb energy = 0.5002953656889695 eV
minimum distance =  2.71384743194132 Angstroms
sigma value = 33


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

Energy: 0.9393252378821015
Energy: 0.5554015932315759
Energy: 0.5736980543204034
Energy: 0.5714877750021009
Energy: 0.5651489619087222
Energy: 0.5728929806652963
Energy: 0.7261909851867733
Energy: 0.5635842184930437
Energy: 0.5636288611322555
Energy: 0.5546138862746752
Energy: 0.5639946623283734
Energy: 0.5548544592267173
Energy: 0.7217217348997411
Energy: 0.564093079636576
Energy: 0.5642311134393497
Energy: 0.5549205135624535
Energy: 0.5640151336587031
Energy: 0.5558169636360807
Energy: 0.7742577234034526
Energy: 0.5640034174363205
Energy: 0.5539731722140363
Energy: 0.5586908254715199
Energy: 0.5641776153790566
Energy: 0.5586430846374769
Energy: 0.7228052092489026
Energy: 0.5712644840056662
Energy: 0.5721375153883678
Energy: 0.5299749763546123
Energy: 0.5498418462020239
Energy: 0.5559397957748007
Energy: 0.7777599007473343
Energy: 0.5703326734320722
Energy: 0.5728681955951428
Energy: 0.5486652566310471
Energy: 0.5704366168202438
Energy: 0.5610449783796979
Energy: 0.7765424959627064
Energy: 0.5617900551683424
Energy: 0.5619362058080224
Energy: 0.5604555232882088
Energy: 0.5402222307916226
Energy: 0.5603755967884694
Energy: 0.7230878793877035
Energy: 0.5663316213442094
Energy: 0.5671644067970041
Energy: 0.5625546575525191
Energy: 0.5661352732778526
Energy: 0.5665708350403258
Energy: 0.6160501110383497
Energy: 0.5684764754829627
Energy: 0.5571975779726615
Energy: 0.5706649542637873
Energy: 0.5297214603114222
Energy: 0.5723615868984842
Energy: 0.6149196703873401
Energy: 0.5689951925435889
Energy: 0.5680436637127865
Energy: 0.5493625698829376
Energy: 0.555172786408335
Energy: 0.5552471807502247
Energy: 0.619722310241555
Energy: 0.538270367540634
Energy: 0.537637992176246
Energy: 0.6203966232137883
Energy: 0.5378664998231701
Energy: 0.5376857458137899
Energy: 0.5666003637397696
Energy: 0.56691364022709
Energy: 0.5555394937095671
Energy: 0.5639521837895646
Energy: 0.5662352782539489
Energy: 0.5711000670663139
Energy: 0.5664174678509104
Energy: 0.5535308530633402
Energy: 0.5698040466017281
Energy: 0.5641529928020794
Energy: 0.5724102921508564
Energy: 0.5491474994859279
Energy: 0.5717813440982896
Energy: 0.5593893657378799
Energy: 0.5588788387940521
Energy: 0.570086265120677
Energy: 0.559069172035226
Energy: 0.5588155582859602
Energy: 0.6151455511326159
Energy: 0.5686155149489649
Energy: 0.5681937865688408
Energy: 0.5498972947894736
Energy: 0.5556344431052509
Energy: 0.5551371828676352
Energy: 0.6164464044961306
Energy: 0.5495574881392511
Energy: 0.560406534064392
Energy: 0.5702520721854073
Energy: 0.5477707627291573
Energy: 0.561043385120132
Energy: 0.7258661553252973
Energy: 0.5602209496003601
Energy: 0.5602328601146079
Energy: 0.5395020596300618
Energy: 0.5603456366298407
Energy: 0.5618501918364315
Energy: 0.676955778753426
Energy: 0.5615367776647666
Energy: 0.5578709790183911
Energy: 0.5663859358524511
Energy: 0.5501602253031719
Energy: 0.5659798798163445
Energy: 0.6700637024831209
Energy: 0.569539122553773
Energy: 0.5710316458498174
Energy: 0.5678170375171345
Energy: 0.5700871331237127
Energy: 0.557317426178538
Energy: 0.7227894696460315
Energy: 0.5712677677233798
Energy: 0.5723456945272168
Energy: 0.531004647641231
Energy: 0.5713909258655748
Energy: 0.5680627404288479
Energy: 0.8774871501625381
Energy: 0.5610917934875639
Energy: 0.5373691968161609
Energy: 0.5378202408038727
Energy: 0.5538408883351755
Energy: 0.5374738680691409
Energy: 0.6707762615562144
Energy: 0.5641627872225492
Energy: 0.5490297783167837
Energy: 0.5664125176320096
Energy: 0.5643376470657733
Energy: 0.5628333139055821
Energy: 0.7251847884339753
Energy: 0.5634420276561432
Energy: 0.5636672949615625
Energy: 0.5696547762718852
Energy: 0.5644774980471655
Energy: 0.5554412157503267
Energy: 0.8036216287621457
Energy: 0.560601740787749
Energy: 0.5551458986211755
Energy: 0.5581661649989574
Energy: 0.57031426048845
Energy: 0.5724137333325499
Energy: 0.7245078175250242
Energy: 0.548741126440228
Energy: 0.5534184926365591
Energy: 0.5541692127203952
Energy: 0.5490862155042695
Energy: 0.5693071880178374
Energy: 0.7232982819825731
Energy: 0.5701206865416639
Energy: 0.5720552390215978
Energy: 0.5572315004394282
Energy: 0.5701810647430992
Energy: 0.5618823517237761
Energy: 0.7753182409404059
Energy: 0.5391199376746195
Energy: 0.5609206309223982
Energy: 0.5609987579429848
Energy: 0.5386388877637206
Energy: 0.5606825718143771
Energy: 0.7235895228269688
Energy: 0.5684276656904553
Energy: 0.5664958953318873
Energy: 0.5606071456138606
Energy: 0.5675485296242615
Energy: 0.5581270121232874
Energy: 0.616867607841205
Energy: 0.56661468674238
Energy: 0.5663818195960441
Energy: 0.571032173686238
Energy: 0.5672337067921964
Energy: 0.5715657544788981
Energy: 0.6165696204882029
Energy: 0.5687622254231293
Energy: 0.567502176647152
Energy: 0.5708352492007589
Energy: 0.5314656199183435
Energy: 0.5759047173277821
Energy: 0.6211756602631284
Energy: 0.5376184592371173
Energy: 0.5374604517110363
Energy: 0.5539977068143837
Energy: 0.5378592027304829
Energy: 0.5373116352854083
Energy: 0.5636623159588375
Energy: 0.5510457445008778
Energy: 0.5327650566464065
Energy: 0.5637179262717273
Energy: 0.5670712176434101
Energy: 0.5605456737957735
Energy: 0.5643564009294447
Energy: 0.5686403716121012
Energy: 0.5687786969307242
Energy: 0.5648593031016367
Energy: 0.5545911129075586
Energy: 0.5489006446085776
Energy: 0.5642897235957258
Energy: 0.5588696434843154
Energy: 0.5586964807159016
Energy: 0.5642284258251281
Energy: 0.5589131146715232
Energy: 0.5589880277442496
Energy: 0.6149192076025317
Energy: 0.5690369634452234
Energy: 0.5694756051890117
Energy: 0.5492745950008148
Energy: 0.5700171670452489
Energy: 0.5553224685100655
Energy: 0.614431011853856
Energy: 0.5487391999951824
Energy: 0.5583619969174755
Energy: 0.5710006069357328
Energy: 0.5570759455766695
Energy: 0.5723476153363117
Energy: 0.6152760883816395
Energy: 0.5607794940982955
Energy: 0.5608298463041321
Energy: 0.5387028314216096
Energy: 0.5611756954865003
Energy: 0.5608638828736122
Energy: 0.6699164326626629
Energy: 0.5576275135794638
Energy: 0.5577487997138522
Energy: 0.5670646479081897
Energy: 0.5574713936161413
Energy: 0.571771480117496
Energy: 0.6751350570530129
Energy: 0.5715924000671632
Energy: 0.5718753509807039
Energy: 0.5662319837659423
Energy: 0.5713188240213747
Energy: 0.5660946258795982
Energy: 0.722739451679177
Energy: 0.5697847245444088
Energy: 0.5710866373182637
Energy: 0.5540418476486944
Energy: 0.5701721193084904
Energy: 0.5684924329150209
Energy: 0.8750387815799123
Energy: 0.5536299132394252
Energy: 0.5372696852341443
Energy: 0.5378996447980117
Energy: 0.5536721497171454
Energy: 0.5374698813288424

minimum gb energy = 0.5297214603114222 eV
minimum distance =  2.74784087750926 Angstroms
sigma value = 51


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

Energy: 0.8930358523320703
Energy: 0.5662141612358182
Energy: 0.5568491072175107
Energy: 0.5439113853949079
Energy: 0.5660966794235334
Energy: 0.5943711154355169
Energy: 0.6818911866509911
Energy: 0.577252956883007
Energy: 0.5663152408702733
Energy: 0.5368115915975336
Energy: 0.5770056080853474
Energy: 0.5800982092328557
Energy: 0.8090541068899041
Energy: 0.5772451415842803
Energy: 0.5654824577092591
Energy: 0.5555493827156543
Energy: 0.5774387692142454
Energy: 0.5576893320824696
Energy: 0.801931943157658
Energy: 0.5542044506122888
Energy: 0.5541585017948555
Energy: 0.54388663569135
Energy: 0.5535746594580817
Energy: 0.5590969436416033
Energy: 0.6823532477785303
Energy: 0.5729016850126247
Energy: 0.5829137271525965
Energy: 0.5364464640810639
Energy: 0.5360798539632776
Energy: 0.5370302596370655
Energy: 0.6815955135599474
Energy: 0.582533140385125
Energy: 0.5823850928071257
Energy: 0.5716468681408577
Energy: 0.5826165194386671
Energy: 0.5824213770107546
Energy: 0.6814760202601858
Energy: 0.5369564256067261
Energy: 0.5373949932423323
Energy: 0.5715636734448076
Energy: 0.5367823290732783
Energy: 0.5819093064413802
Energy: 0.6731626169128292
Energy: 0.5514938174368308
Energy: 0.5585623429975349
Energy: 0.5535371933678563
Energy: 0.5074742550215182
Energy: 0.5589111691630375
Energy: 0.5777463228515932
Energy: 0.5607047617599998
Energy: 0.5601234845704531
Energy: 0.5775911517566599
Energy: 0.5730410945860456
Energy: 0.5834895090500718
Energy: 0.5771459819344239
Energy: 0.5560332632422957
Energy: 0.5515469588004419
Energy: 0.5771441116741582
Energy: 0.5375399513875987
Energy: 0.5677137985832119
Energy: 0.5856219779895417
Energy: 0.5526117585860533
Energy: 0.5567518265338597
Energy: 0.5588973821850882
Energy: 0.5372461643877564
Energy: 0.558260882141801
Energy: 0.6045834865368409
Energy: 0.5369421084898697
Energy: 0.5755463583948296
Energy: 0.565467772067006
Energy: 0.5476758530373141
Energy: 0.571536077257854
Energy: 0.6038548578456427
Energy: 0.5706570897645142
Energy: 0.5748001410401407
Energy: 0.5832254403363075
Energy: 0.5628547396161502
Energy: 0.5836942486004243
Energy: 0.6046186915817334
Energy: 0.5584805032603922
Energy: 0.5442928048744339
Energy: 0.5659628664564663
Energy: 0.5583798569073427
Energy: 0.5449100148651981
Energy: 0.7271201280847113
Energy: 0.5495918591747064
Energy: 0.5612884700009175
Energy: 0.5703495028463913
Energy: 0.549858127150872
Energy: 0.5607306893393005
Energy: 0.7303908078018918
Energy: 0.5666032361561659
Energy: 0.5665934662888874
Energy: 0.57015133193197
Energy: 0.566452444995544
Energy: 0.5515435396185284
Energy: 0.7375120735170956
Energy: 0.5839281625585687
Energy: 0.5833488080004269
Energy: 0.5361571977518796
Energy: 0.5842373336680965
Energy: 0.5657985574866019
Energy: 0.8734114362901411
Energy: 0.5656442853313183
Energy: 0.5518961410252345
Energy: 0.5508980413069572
Energy: 0.5654166546639731
Energy: 0.5611943635531418

minimum gb energy = 0.5074742550215182 eV
minimum distance =  2.72124708645163 Angstroms
sigma value = 19


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

Energy: 0.8126679769389901
Energy: 0.5498899621312952
Energy: 0.5329762666337201
Energy: 0.6083660863983907
Energy: 0.5494608284534407
Energy: 0.5776419494262497
Energy: 0.7299542184044849
Energy: 0.5593482503522638
Energy: 0.5487659510921399
Energy: 0.5687414112193226
Energy: 0.5489917763395266
Energy: 0.5488684534770759
Energy: 0.709363923658959
Energy: 0.5488039840783087
Energy: 0.5599545917516319
Energy: 0.5817291969767423
Energy: 0.5487090190110313
Energy: 0.5489267420567586
Energy: 0.6756201391060608
Energy: 0.606444293317945
Energy: 0.5608287602835064
Energy: 0.5900872853177291
Energy: 0.5601654883209429
Energy: 0.6065801493258258
Energy: 0.6747410988010081
Energy: 0.5597052330088987
Energy: 0.5597646625695686
Energy: 0.5463379292443588
Energy: 0.5594243205793269
Energy: 0.5677569597947666
Energy: 0.7157914622668385
Energy: 0.5575889172189106
Energy: 0.630213016083578
Energy: 0.6302999060411019
Energy: 0.5575097084958268
Energy: 0.6274655272892787
Energy: 0.7157513294016636
Energy: 0.5494052001299448
Energy: 0.6276014856164761
Energy: 0.6232124012745174
Energy: 0.6037158651450041
Energy: 0.6272567122027082
Energy: 0.6714586216745014
Energy: 0.5247499358310951
Energy: 0.5244962714797974
Energy: 0.5829743365286442
Energy: 0.5195402995255675
Energy: 0.5289684556389976
Energy: 0.608746328461955
Energy: 0.5228683078832627
Energy: 0.5193891728817494
Energy: 0.6086740832133518
Energy: 0.5269180902330468
Energy: 0.518968308247027
Energy: 0.6086707413800991
Energy: 0.6211653727360733
Energy: 0.6166368817591616
Energy: 0.6085517128071716
Energy: 0.6342583774939046
Energy: 0.6088032312148259
Energy: 0.6091303819053965
Energy: 0.6109114393800749
Energy: 0.6105310277233683
Energy: 0.6089569296753414
Energy: 0.5911114242257377
Energy: 0.6077145340694838
Energy: 0.6744345009151103
Energy: 0.6314833621193252
Energy: 0.6313324331069277
Energy: 0.6201150234677506
Energy: 0.6335696710284732
Energy: 0.6100603879231937
Energy: 0.5574729105945377
Energy: 0.6310795300604509
Energy: 0.6312878160731363
Energy: 0.5590315790611954
Energy: 0.6305128535912388
Energy: 0.6305591401979255
Energy: 0.6747508779725689
Energy: 0.6286872170601259
Energy: 0.628556899548943
Energy: 0.6123748718652129
Energy: 0.6290370369638811
Energy: 0.6289853212929551
Energy: 0.7603513530522181
Energy: 0.6069230989958353
Energy: 0.6070366723752929
Energy: 0.524447116212982
Energy: 0.6086374271182879
Energy: 0.5189443599382175
Energy: 0.7597226981856314
Energy: 0.6271207903993927
Energy: 0.516913831995834
Energy: 0.5190044706128574
Energy: 0.6079588556809659
Energy: 0.5210838549736215
Energy: 0.6720642725316125
Energy: 0.6086662850932026
Energy: 0.6086918853509575
Energy: 0.6339913396410446
Energy: 0.6087959968335213
Energy: 0.6089452371251668
Energy: 0.6739394653001213
Energy: 0.6087263333013601
Energy: 0.6087211710712391
Energy: 0.5899523584317053
Energy: 0.608644538946756
Energy: 0.6089180811950486
Energy: 0.6740683341337066
Energy: 0.6102695672048083
Energy: 0.6100429724251692
Energy: 0.5899383049521094
Energy: 0.610037326901455
Energy: 0.6050812471170256
Energy: 0.7170793959862019
Energy: 0.5575619073663395
Energy: 0.6287863793398644
Energy: 0.6332707339996982
Energy: 0.5574475671960518
Energy: 0.6374881630477996
Energy: 0.7145526027520459
Energy: 0.6272008367620605
Energy: 0.6311080147299925
Energy: 0.6312038962314805
Energy: 0.6105277401696738
Energy: 0.6307233124578734
Energy: 0.7165414765706987
Energy: 0.6181241532303526
Energy: 0.6282097583045556
Energy: 0.6089573449463892
Energy: 0.6049895379374701
Energy: 0.6284445610797009
Energy: 0.6197601351280864
Energy: 0.5165068857140132
Energy: 0.5166658459751675
Energy: 0.6197974814119717
Energy: 0.5163699286267845
Energy: 0.5184033154212954
Energy: 0.6072940053540801
Energy: 0.5725262706114351
Energy: 0.5533191625676296
Energy: 0.6081196039481641
Energy: 0.5501675044644201
Energy: 0.6078846498942272
Energy: 0.6086734951470745
Energy: 0.5774749981435848
Energy: 0.6085053657334946
Energy: 0.608283659448199
Energy: 0.5818651300433363
Energy: 0.608727387046061
Energy: 0.6752633723807588
Energy: 0.5902974774078521
Energy: 0.5910935079415192
Energy: 0.5724526153132181
Energy: 0.5901847725699129
Energy: 0.5612314854627329
Energy: 0.7105289627828633
Energy: 0.5723143836998209
Energy: 0.5721980078326172
Energy: 0.548493925348601
Energy: 0.5729626128966646
Energy: 0.5727677964197727
Energy: 0.5574775701186874
Energy: 0.5647421776532554
Energy: 0.5727043042083543
Energy: 0.5575641485594303
Energy: 0.5682705563108432
Energy: 0.5719731190783179
Energy: 0.6745375641163918
Energy: 0.5713237173382024
Energy: 0.5701096724931267
Energy: 0.5393981888695099
Energy: 0.5653058349678708
Energy: 0.5695648341102192
Energy: 0.8146742802833983
Energy: 0.5596442455395131
Energy: 0.524208500935037
Energy: 0.5200856779507528
Energy: 0.5596936341303252
Energy: 0.5595331684560281

minimum gb energy = 0.5163699286267845 eV
minimum distance =  2.70671554458844 Angstroms
sigma value = 27


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

Energy: 0.6480411711521388
Energy: 0.5430009150450993
Energy: 0.6401968604299205
Energy: 0.5447963889179117
Energy: 0.5430259399998476
Energy: 0.6396877767145401
Energy: 0.6318203853036406
Energy: 0.5416571502542965
Energy: 0.499043532045405
Energy: 0.5051480253946226
Energy: 0.541555375990969
Energy: 0.4699967831556093
Energy: 0.579905954284406
Energy: 0.5411449258660044
Energy: 0.5486643311810967
Energy: 0.46981220870821117
Energy: 0.541620540359656
Energy: 0.5010666772827815
Energy: 0.5806890385261297
Energy: 0.46948155537605324
Energy: 0.46980833053346055
Energy: 0.4953871388203567
Energy: 0.539354056372257
Energy: 0.4688165957765522
Energy: 0.6314755143361267
Energy: 0.47156923762909525
Energy: 0.4695102056383062
Energy: 0.5118555170344814
Energy: 0.4952774970730397
Energy: 0.4703080555132231
Energy: 0.5405376459818773
Energy: 0.4971074814144731
Energy: 0.47111379307795664
Energy: 0.5405500170869738
Energy: 0.49872159371969543
Energy: 0.4706800211142407
Energy: 0.5435805724151936
Energy: 0.5020703017599168
Energy: 0.4946526871124803
Energy: 0.5421315443769205
Energy: 0.5029030301751197
Energy: 0.5006743203006709
Energy: 0.542795258786073
Energy: 0.4914626522377135
Energy: 0.4916416505550133
Energy: 0.5426742716959606
Energy: 0.4919312225033669
Energy: 0.49141191730941325
Energy: 0.5800046045489422
Energy: 0.468950126393977
Energy: 0.47008642043796833
Energy: 0.5421997728226995
Energy: 0.5085491480372185
Energy: 0.498824034889122
Energy: 0.581793896672335
Energy: 0.4942814004330694
Energy: 0.49391714399963266
Energy: 0.5366274261609294
Energy: 0.49515346637662955
Energy: 0.4992871278572088
Energy: 0.5800508083914802
Energy: 0.5361079092895008
Energy: 0.49947166429903617
Energy: 0.5005218846549427
Energy: 0.536615249305196
Energy: 0.5344069180561235
Energy: 0.5798816147039496
Energy: 0.49915034244616485
Energy: 0.49902056196402395
Energy: 0.503489628179561
Energy: 0.5422254993303943
Energy: 0.4695965859058284

minimum gb energy = 0.4688165957765522 eV
minimum distance =  2.75530293698769 Angstroms
sigma value = 9


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

Energy: 1.0459675591348956
Energy: 0.49860214123367214
Energy: 0.49576171975603966
Energy: 0.447985464399673
Energy: 0.49876530102869887
Energy: 0.46007503812812806
Energy: 0.5196546813476457
Energy: 0.46794446995362116
Energy: 0.4389407213318553
Energy: 0.4534848639256639
Energy: 0.4676086557155243
Energy: 0.45571024428709084
Energy: 0.4926189650732654
Energy: 0.4700586491609045
Energy: 0.4659156394008941
Energy: 0.4643670480558644
Energy: 0.4685596936271129
Energy: 0.46762030681733896
Energy: 0.4944783170486187
Energy: 0.43981320851798744
Energy: 0.4320895042819576
Energy: 0.459728855500853
Energy: 0.46595121178536714
Energy: 0.43203050972617824
Energy: 0.5181015084494697
Energy: 0.44403766695617436
Energy: 0.4312313357131684
Energy: 0.4664393769888106
Energy: 0.443808346202706
Energy: 0.4575428286415826
Energy: 0.47394804145910985
Energy: 0.450864863106861
Energy: 0.4578177454812611
Energy: 0.47436465653796167
Energy: 0.45105419154536297
Energy: 0.44272447819508925
Energy: 0.4753081034582718
Energy: 0.4325023387014178
Energy: 0.43235746154871096
Energy: 0.4748937764573122
Energy: 0.4458350106376684
Energy: 0.4754734718313095
Energy: 0.49031799043154484
Energy: 0.455411964691969
Energy: 0.4350883875924493
Energy: 0.4728346948377477
Energy: 0.45878753492089186
Energy: 0.4529907298173373
Energy: 0.47935700401388687
Energy: 0.44951392312596744
Energy: 0.45863816656084383
Energy: 0.4639349214862884
Energy: 0.4606494281686591
Energy: 0.4577382161863162
Energy: 0.4552661388687324
Energy: 0.4442459621907894
Energy: 0.43221947061243204
Energy: 0.450318641862105
Energy: 0.4615740047107979
Energy: 0.430350442276768
Energy: 0.4505497417899034
Energy: 0.47416378050021746
Energy: 0.47648777191793673
Energy: 0.4549284982349352
Energy: 0.4740359676400595
Energy: 0.4710155099806935
Energy: 0.4799579988254381
Energy: 0.4745099409118169
Energy: 0.4584822292051608
Energy: 0.4439029136003272
Energy: 0.47451360539955434
Energy: 0.4324631714934379
Energy: 0.9132128716154775
Energy: 0.5462259426647837
Energy: 0.4396698870156803
Energy: 0.43503904714484476
Energy: 0.4801678289659669
Energy: 0.453683511582071
Energy: 0.5275929021030792
Energy: 0.4515193243856629
Energy: 0.45734545634844037
Energy: 0.44282935892533676
Energy: 0.4751350710875232
Energy: 0.43357521067494
Energy: 0.4708576755346441
Energy: 0.46343208649906337
Energy: 0.4631557812781356
Energy: 0.46856396082266577
Energy: 0.4651801238945048
Energy: 0.45855227802106374
Energy: 0.4684131811911776
Energy: 0.4518877236774627
Energy: 0.4554280614714077
Energy: 0.469288451231675
Energy: 0.46255135371450334
Energy: 0.46669970731052624
Energy: 0.46710253803660695
Energy: 0.43169179662275825
Energy: 0.43185352860488696
Energy: 0.4672319480163777
Energy: 0.4393203297254831
Energy: 0.44981210594881355
Energy: 0.4924893944711918
Energy: 0.4323224615964348
Energy: 0.45550505111529604
Energy: 0.46706215299322273
Energy: 0.452537061925382
Energy: 0.4411159406410456
Energy: 0.4930414099365708
Energy: 0.4506806969854532
Energy: 0.4532629640940356
Energy: 0.46838969243140016
Energy: 0.4564939884931828
Energy: 0.4472954157888082
Energy: 0.4927661190035718
Energy: 0.46174576786310795
Energy: 0.45262840169481444
Energy: 0.46154011508086695
Energy: 0.4610828257010558
Energy: 0.45403537727042087
Energy: 0.49262767269013324
Energy: 0.4678959000632894
Energy: 0.46036167467661887
Energy: 0.46810242498898974
Energy: 0.46688175294634454
Energy: 0.4473087464761204
Energy: 0.5261391138676322
Energy: 0.45726020538202244
Energy: 0.4786700892317171
Energy: 0.44492493199112787
Energy: 0.46702123561163317
Energy: 0.4320965156510951
Energy: 0.5325049291455066
Energy: 0.46739321248918864
Energy: 0.48171456005765706
Energy: 0.4445734001116426
Energy: 0.4669892802113061
Energy: 0.42975713716840597
Energy: 0.49255674283997214
Energy: 0.4697822038039956
Energy: 0.46690438685020075
Energy: 0.46876270381907115
Energy: 0.46862916126312093
Energy: 0.4552199679149863
Energy: 0.6567719358604901
Energy: 0.43977655772807717
Energy: 0.45422848770482604
Energy: 0.46172097883847285
Energy: 0.4677893539365065
Energy: 0.4571529827481248
Energy: 0.4924845025122096
Energy: 0.4399212603410095
Energy: 0.4323546094313226
Energy: 0.4681653568122561
Energy: 0.4402983776650292
Energy: 0.45728769442814093
Energy: 0.4458179786132174
Energy: 0.43955071512011357
Energy: 0.4582299050046376
Energy: 0.4458943899828126
Energy: 0.4392728273186577
Energy: 0.4518717923427471
Energy: 0.4743662448098414
Energy: 0.43228710886579474
Energy: 0.4323270985493327
Energy: 0.4744850642817533
Energy: 0.44017824011173046
Energy: 0.4766452936007222
Energy: 0.47431455443083503
Energy: 0.4435207263208624
Energy: 0.4578850562655212
Energy: 0.47434449595038386
Energy: 0.4494301697337421
Energy: 0.4550943560309286
Energy: 0.47976358642402267
Energy: 0.45256232998614854
Energy: 0.43629054262566075
Energy: 0.4706972746043297
Energy: 0.4586465048038918
Energy: 0.4322794861148142
Energy: 0.45058554980502347
Energy: 0.4396551844606259
Energy: 0.4562722940891285
Energy: 0.4535484917506125
Energy: 0.4495314183372027
Energy: 0.43257496920382077
Energy: 0.4540664752658377
Energy: 0.4737044156834831
Energy: 0.4529644635288762
Energy: 0.45081339745350296
Energy: 0.47361496851368745
Energy: 0.430340271387072
Energy: 0.49124666462120303
Energy: 0.47472437697036274
Energy: 0.458599465946867
Energy: 0.46330380548830213
Energy: 0.47548048114067193
Energy: 0.4321018576141338
Energy: 0.4905284789723324
Energy: 0.4740297266087697
Energy: 0.47412979392237264
Energy: 0.4523344558703613
Energy: 0.4739821585694305
Energy: 0.43132579875275645
Energy: 0.48805105734114684
Energy: 0.45950840776674623
Energy: 0.45024485303797485
Energy: 0.45244819399777886
Energy: 0.4663386239778524
Energy: 0.45793656171567887
Energy: 0.49056446620790206
Energy: 0.46513269889025827
Energy: 0.4384720382149245
Energy: 0.4726900772882356
Energy: 0.4658886474337556
Energy: 0.4325073141177505
Energy: 0.468754727954373
Energy: 0.4625130884559444
Energy: 0.4645667267727945
Energy: 0.46858508837344987
Energy: 0.46324037570622084
Energy: 0.4387894527674906
Energy: 0.4672019397653433
Energy: 0.45265467191250536
Energy: 0.45212893091376666
Energy: 0.46717182724200357
Energy: 0.45268454262065183
Energy: 0.4557830678572059
Energy: 0.4969862874262819
Energy: 0.4390700358950439
Energy: 0.4328002174388063
Energy: 0.49666572483087656
Energy: 0.43912088587664927
Energy: 0.4567112570589668
Energy: 0.49249093228642815
Energy: 0.4527558340024998
Energy: 0.4557129907748073
Energy: 0.46731857497112633
Energy: 0.45336629110838406
Energy: 0.44731820067156935
Energy: 0.4923298876076954
Energy: 0.45115613339714905
Energy: 0.45354528244723363
Energy: 0.46014774676393067
Energy: 0.4612585571795886
Energy: 0.45837123753750875
Energy: 0.4933439899720693
Energy: 0.46290301336056006
Energy: 0.46595626366701276
Energy: 0.4660695857297026
Energy: 0.46204260516010087
Energy: 0.45616777867741776
Energy: 0.5242501120917492
Energy: 0.46751664148487776
Energy: 0.45426965184033274
Energy: 0.44459484454238507
Energy: 0.46737109768736007
Energy: 0.430029187336756

minimum gb energy = 0.42975713716840597 eV
minimum distance =  2.71401262767097 Angstroms
sigma value = 57


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

Energy: 0.22766914325251233
Energy: 0.2572360120341057
Energy: 0.22961058760952882
Energy: 0.22867117125527714
Energy: 0.25723096238572624
Energy: 0.2291263110877058
Energy: 0.27923057296978143
Energy: 0.2425682957729639
Energy: 0.2440609575013554
Energy: 0.2541817994201236
Energy: 0.2552762253186421
Energy: 0.24618243473342225
Energy: 0.2817643579386052
Energy: 0.2581738369736897
Energy: 0.24350286285410122
Energy: 0.25552369001881964
Energy: 0.25672324628705273
Energy: 0.2438662360837396
Energy: 0.28187078692443923
Energy: 0.2582231455953075
Energy: 0.24331270749435263
Energy: 0.25670705140859634
Energy: 0.2823966669553402
Energy: 0.24349432081531802
Energy: 0.27868051071162436
Energy: 0.23001131408777553
Energy: 0.24113287088106955
Energy: 0.27990684000518345
Energy: 0.22901974542091633
Energy: 0.2448579028947154
Energy: 0.25654307707757795
Energy: 0.22958348252753502
Energy: 0.22987255585118627
Energy: 0.2419774615800607
Energy: 0.23193839626693583
Energy: 0.24092798890972542
Energy: 0.2526977451467119
Energy: 0.2422617272942602
Energy: 0.2441689271342585
Energy: 0.2534612865569634
Energy: 0.24077850952692073
Energy: 0.24751489102295146
Energy: 0.25629453820314124
Energy: 0.24478161305365773
Energy: 0.2575191213173887
Energy: 0.2567648411037314
Energy: 0.24219528557965112
Energy: 0.2434687221009627
Energy: 0.2784758497903542
Energy: 0.2574395517800046
Energy: 0.24695603450668505
Energy: 0.25699571265630533
Energy: 0.2552226725515403
Energy: 0.24367785819744403
Energy: 0.22845022122373926
Energy: 0.2585316826599735
Energy: 0.230574914571172
Energy: 0.23246058417760893
Energy: 0.2551807240605282
Energy: 0.24048254271924824
Energy: 0.22833566424241242
Energy: 0.2425595711379161
Energy: 0.24430424444401033
Energy: 0.22858727903747317
Energy: 0.24100625929197086
Energy: 0.23085980319707486
Energy: 0.2799068210176085
Energy: 0.25779993465802814
Energy: 0.24730605030028158
Energy: 0.254841026926547
Energy: 0.2554756683781814
Energy: 0.24626182088402065
Energy: 0.2817878085860174
Energy: 0.28273716320793496
Energy: 0.2781859680846278
Energy: 0.2441934324932903
Energy: 0.28184412258312763
Energy: 0.26398333882534325
Energy: 0.2792320433043546
Energy: 0.25704248054495055
Energy: 0.2602875249154536
Energy: 0.25646017689218564
Energy: 0.25501603166694076
Energy: 0.24821991074455346
Energy: 0.28148167177728495
Energy: 0.23346001507235106
Energy: 0.22944692842539471
Energy: 0.28184402285790316
Energy: 0.22995636656173304
Energy: 0.229303458402352
Energy: 0.25464177876476624
Energy: 0.24394240594281744
Energy: 0.24664841088245085
Energy: 0.25517117926965305
Energy: 0.22913593466836762
Energy: 0.2448622654916475
Energy: 0.2561846691019535
Energy: 0.24861371027682358
Energy: 0.25043483210166345
Energy: 0.256482480199616
Energy: 0.25600551609253946
Energy: 0.24430180910653573
Energy: 0.28201598277325235
Energy: 0.24423216131833037
Energy: 0.25748767273723633
Energy: 0.2824708217493072
Energy: 0.24257846032706665
Energy: 0.243361360050365
Energy: 0.22838358940088815
Energy: 0.24312469110844565
Energy: 0.24362191079056045
Energy: 0.22864609838856617
Energy: 0.28431393913048164
Energy: 0.2443978033536573

minimum gb energy = 0.22766914325251233 eV
minimum distance =  2.75369869181228 Angstroms
sigma value = 11


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

Energy: 0.8467461397999293
Energy: 0.5323704652124569
Energy: 0.45272624302050657
Energy: 0.38984672481643956
Energy: 0.3704322465950333
Energy: 0.45382975258965874
Energy: 0.3620764086793731
Energy: 0.3617482238391635
Energy: 0.36803043887718817
Energy: 0.3648411962417942
Energy: 0.36479725787912626
Energy: 0.36181484422947763
Energy: 0.3665769245813637
Energy: 0.3714008433854735
Energy: 0.3668920072604518
Energy: 0.36707411224110464
Energy: 0.3713203726792445
Energy: 0.36334049324503775
Energy: 0.36618404415290357
Energy: 0.3750835739586739
Energy: 0.36226686031500555
Energy: 0.3669842004880088
Energy: 0.36445619855553807
Energy: 0.3677617253699864
Energy: 0.36606606128357894
Energy: 0.4071944369293784
Energy: 0.400103903291496
Energy: 0.3666195745902259
Energy: 0.37823056267952226
Energy: 0.36754116498468975
Energy: 0.39188832800826745
Energy: 0.3635907209384351
Energy: 0.4051626036148049
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Energy: 0.39854175802641606
Energy: 0.39382116082897123
Energy: 0.36662990161311093
Energy: 0.36973220189380007
Energy: 0.3639641268339242
Energy: 0.37231029132455223
Energy: 0.3636784916583996
Energy: 0.3738830237745653
Energy: 0.37665642667866867
Energy: 0.3779564070983918
Energy: 0.37390495828152753
Energy: 0.3773040794666962
Energy: 0.37710651205645324
Energy: 0.394050085575176
Energy: 0.370842338287918
Energy: 0.36241885207084223
Energy: 0.3756262799532764
Energy: 0.3643291116336964
Energy: 0.3695240666859872
Energy: 0.7010224168164798
Energy: 0.39692299611961807
Energy: 0.3991253465314724
Energy: 0.46328392566310356
Energy: 0.3965332371823101
Energy: 0.40890761382674906
Energy: 0.41649311395850225
Energy: 0.39725534378751337
Energy: 0.3983443212239623
Energy: 0.3757374365213202
Energy: 0.4066031895671094
Energy: 0.40004703255117313
Energy: 0.4616036818591666
Energy: 0.3567448682364988
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Energy: 0.3512452364023852
Energy: 0.3776378096481627
Energy: 0.35646699217371824
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Energy: 0.4399835493351639
Energy: 0.4387967662896071
Energy: 0.3759228465203653
Energy: 0.4062556829924905
Energy: 0.43849882394334366
Energy: 0.43758672587474295
Energy: 0.38001986706820007
Energy: 0.3909658061211108
Energy: 0.37465251322849646
Energy: 0.37813135490060795
Energy: 0.4073897405775341
Energy: 0.55434637301765
Energy: 0.4401533618592669
Energy: 0.438662563693657
Energy: 0.40705302904880275
Energy: 0.408663967983162
Energy: 0.4388121910137049
Energy: 0.5968905171918325
Energy: 0.41111368713541
Energy: 0.3799791501688903
Energy: 0.5114017954560501
Energy: 0.4975399858689953
Energy: 0.3806819268393353
Energy: 0.6986639275918521
Energy: 0.403661425825922
Energy: 0.3993742492319442
Energy: 0.37516270320254635
Energy: 0.4062993657482985
Energy: 0.43755101526391804
Energy: 0.5558951565303716
Energy: 0.37264989977372515
Energy: 0.3692363510570306
Energy: 0.36423652153476416
Energy: 0.37589091594172197
Energy: 0.36410585919741323
Energy: 0.48980620236105943
Energy: 0.45402056871606195
Energy: 0.38110841822550634
Energy: 0.45904270307887607
Energy: 0.3777907678827315
Energy: 0.37275647546070967
Energy: 0.5548194546536339
Energy: 0.4092010024108956
Energy: 0.40053822200455413
Energy: 0.3950105056515784
Energy: 0.44086427344570644
Energy: 0.399834128428212
Energy: 0.517442792399546
Energy: 0.3780610036424489
Energy: 0.3872694529638976
Energy: 0.5182519994980067
Energy: 0.365215290253151
Energy: 0.43692490350638064
Energy: 0.3640523063686785
Energy: 0.4091538303465618
Energy: 0.4009728651712816
Energy: 0.36430013003138123
Energy: 0.3759162827111544
Energy: 0.40006517178498785
Energy: 0.3730514048862483
Energy: 0.3683878258680006
Energy: 0.3636156320569834
Energy: 0.36355184767882504
Energy: 0.36737611342023263
Energy: 0.36662576207073194
Energy: 0.4312399946680057
Energy: 0.36614258211504647
Energy: 0.3651783969951507
Energy: 0.43222148130390303
Energy: 0.36652222436036463
Energy: 0.3665652139105476
Energy: 0.4148424594711377
Energy: 0.3644136831127723
Energy: 0.36608383382064774
Energy: 0.3753589097460184
Energy: 0.3788790017315279
Energy: 0.351238959331395

minimum gb energy = 0.351238959331395 eV
minimum distance =  2.72861450668417 Angstroms
sigma value = 41


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

Energy: 0.7819934188486556
Energy: 0.43976133136392864
Energy: 0.4220993365974968
Energy: 0.4565570439843937
Energy: 0.43657973925202487
Energy: 0.4569666397905337
Energy: 0.3906413567376764
Energy: 0.38931210326383964
Energy: 0.38815705893724217
Energy: 0.394075564487989
Energy: 0.39166068538098486
Energy: 0.38835973192832474
Energy: 0.3908990770391441
Energy: 0.38817304463688523
Energy: 0.38774813309681966
Energy: 0.3919420938728122
Energy: 0.3923623128700363
Energy: 0.38738660815434395
Energy: 0.3918362937583888
Energy: 0.38842188442412795
Energy: 0.38756120291799606
Energy: 0.39235811460516845
Energy: 0.3921829757000917
Energy: 0.3917389400430094
Energy: 0.39037453382415904
Energy: 0.40042536127025974
Energy: 0.3996733819285239
Energy: 0.390859953174022
Energy: 0.3900138310574085
Energy: 0.38795364655163894
Energy: 0.4366042572061305
Energy: 0.3899713777667663
Energy: 0.395391169532356
Energy: 0.4059798726150898
Energy: 0.38987756386405903
Energy: 0.40738073200945596
Energy: 0.43748165941309713
Energy: 0.3922184300738668
Energy: 0.3912604660126393
Energy: 0.3919131081042813
Energy: 0.4016898592925735
Energy: 0.3874115771646273
Energy: 0.40742770303180675
Energy: 0.4204089396644253
Energy: 0.42083932600932333
Energy: 0.3731882407793509
Energy: 0.42007277431720175
Energy: 0.39004351142189403
Energy: 0.4378087970003411
Energy: 0.38765933057930374
Energy: 0.3891446668828212
Energy: 0.39249254257720345
Energy: 0.3925017316236516
Energy: 0.3884623917342549
Energy: 0.5734383051366648
Energy: 0.40724066898331784
Energy: 0.39411742371745917
Energy: 0.49920116077979576
Energy: 0.393044703423133
Energy: 0.3894039526065283
Energy: 0.5731019353015915
Energy: 0.3948268649952364
Energy: 0.3892112089529851
Energy: 0.392150890910223
Energy: 0.39512426650782245
Energy: 0.38824152331942446
Energy: 0.4491328978573581
Energy: 0.3743415444740287
Energy: 0.3734517665191563
Energy: 0.4061274744205271
Energy: 0.3734247784373571
Energy: 0.3901106137879993
Energy: 0.3924133879015191
Energy: 0.37319730224708986
Energy: 0.37332703093373065
Energy: 0.40889571157971466
Energy: 0.3735443373308281
Energy: 0.37330160467907425
Energy: 0.392781508650725
Energy: 0.3889146210088373
Energy: 0.3884987117069856
Energy: 0.3933822348988287
Energy: 0.4023192493764947
Energy: 0.3891445175279456
Energy: 0.42052553117402225
Energy: 0.3937897725916289
Energy: 0.4218379465763504
Energy: 0.42048613215515035
Energy: 0.39433695409822933
Energy: 0.4217835954366429
Energy: 0.3911522703350074
Energy: 0.4029625717609751
Energy: 0.3895006406657193
Energy: 0.4033535926342877
Energy: 0.3924469156642122
Energy: 0.38750888368172093
Energy: 0.7389715607380378
Energy: 0.393022174936822
Energy: 0.38670492778295523
Energy: 0.6198903401089387
Energy: 0.39073408158851175
Energy: 0.415735295557506
Energy: 0.4076473187352846
Energy: 0.3879917568784501
Energy: 0.39297765054791867
Energy: 0.40348600492143677
Energy: 0.3913419882109146
Energy: 0.37354614238671524
Energy: 0.3921317905323316
Energy: 0.3929228583803944
Energy: 0.3880409104353668
Energy: 0.3932109809641658
Energy: 0.39185870426212127
Energy: 0.38801197056922637
Energy: 0.3905273657743177
Energy: 0.3918117928907595
Energy: 0.3877350485167818
Energy: 0.3913107203025308
Energy: 0.39177945215204507
Energy: 0.38796668881232776
Energy: 0.39073934402376626
Energy: 0.3905075595698911
Energy: 0.3883362860092555
Energy: 0.39106633872234264
Energy: 0.39211251765943583
Energy: 0.38821750761005275
Energy: 0.4229352842911859
Energy: 0.5086408391306201
Energy: 0.42184854789567816
Energy: 0.4226500550991113
Energy: 0.5082350199217713
Energy: 0.42030269114134233
Energy: 0.4375016686126875
Energy: 0.39171664446028465
Energy: 0.3895832619763753
Energy: 0.39146708306944056
Energy: 0.39283906277099784
Energy: 0.38938397410021053
Energy: 0.40749035615046075
Energy: 0.421164622559991
Energy: 0.3935143043925289
Energy: 0.4029433721786378
Energy: 0.42107771338638733
Energy: 0.3750719536260265
Energy: 0.43756573442286095
Energy: 0.39218266470066915
Energy: 0.3897031002005917
Energy: 0.39236014254337015
Energy: 0.3938408227094975
Energy: 0.3892005703798379
Energy: 0.5730386619406316
Energy: 0.39652362776388217
Energy: 0.3947639076985084
Energy: 0.3923358729644006
Energy: 0.3927435389067268
Energy: 0.39474973375061895
Energy: 0.5729745565367219
Energy: 0.3993130796211697
Energy: 0.3888395321553873
Energy: 0.5197565775075135
Energy: 0.3929927668525677
Energy: 0.38725182797064106
Energy: 0.4367806263478265
Energy: 0.3858237057181576
Energy: 0.3927345212918518
Energy: 0.39339654757131715
Energy: 0.3740575674810292
Energy: 0.39475205273482583
Energy: 0.39300426808691374
Energy: 0.4124783636535445
Energy: 0.41285713086765313
Energy: 0.3931141837173755
Energy: 0.5284966183198263
Energy: 0.4131481536456854
Energy: 0.4575941664350036
Energy: 0.3955581738390954
Energy: 0.39280820302298375
Energy: 0.3940352532345924
Energy: 0.39184655624748915
Energy: 0.39298363612487663
Energy: 0.3929074952481132
Energy: 0.3883977515929044
Energy: 0.3875368434993275
Energy: 0.39298503747917457
Energy: 0.38770620582991805
Energy: 0.39137578813121926
Energy: 0.3915852462457306
Energy: 0.39249368386762373
Energy: 0.3894740535299098
Energy: 0.39457061498584084
Energy: 0.39222131476725475
Energy: 0.3926075897596179
Energy: 0.7377600735660508
Energy: 0.3918571223140371
Energy: 0.3733598759800307
Energy: 0.6247096396662865
Energy: 0.3911577726244128
Energy: 0.3977244882600444

minimum gb energy = 0.3731882407793509 eV
minimum distance =  2.72959721295194 Angstroms
sigma value = 33


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

Energy: 0.5397097206752075
Energy: 0.45889713211949196
Energy: 0.4991668844836986
Energy: 0.4203559571250539
Energy: 0.45782465441771536
Energy: 0.4981522346727111
Energy: 0.42550702325003015
Energy: 0.4126570440765797
Energy: 0.4131475475213048
Energy: 0.4306301885000214
Energy: 0.4255735698534388
Energy: 0.41243601048501327
Energy: 0.42527956980216625
Energy: 0.41191171934779164
Energy: 0.4118891780126277
Energy: 0.4118412731765115
Energy: 0.41224620248565635
Energy: 0.4113679436085597
Energy: 0.42490488357080025
Energy: 0.41347743611698073
Energy: 0.4111699718308149
Energy: 0.4242866290104655
Energy: 0.42148033079176056
Energy: 0.41129077879159803
Energy: 0.4240703110609969
Energy: 0.4178133169290902
Energy: 0.40325608261617646
Energy: 0.4244354161322331
Energy: 0.42919399372398964
Energy: 0.4109594137237153
Energy: 0.4701674297326228
Energy: 0.4177276454453987
Energy: 0.40258223768284374
Energy: 0.4579631684611141
Energy: 0.40141042757727097
Energy: 0.4039401405256557
Energy: 0.4515891952089454
Energy: 0.40535652015917756
Energy: 0.41371994055240435
Energy: 0.4289566729047522
Energy: 0.4240838747816624
Energy: 0.4159197949706578
Energy: 0.4472631006967619
Energy: 0.43546428824953415
Energy: 0.420081058295226
Energy: 0.4009252499119705
Energy: 0.45712992401373803
Energy: 0.4202402307889
Energy: 0.45095672721495755
Energy: 0.4008044390474551
Energy: 0.40144275532402446
Energy: 0.4630674021906995
Energy: 0.4031412089201788
Energy: 0.40527152409583594
Energy: 0.6758903972374074
Energy: 0.4113970229260369
Energy: 0.411209671989653
Energy: 0.41196508294343737
Energy: 0.4296264222945811
Energy: 0.4110986136050969
Energy: 0.4502054354331049
Energy: 0.4184431181040255
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Energy: 0.4236152987444886
Energy: 0.40059286531249666
Energy: 0.4138832797555544
Energy: 0.46704839549231525
Energy: 0.40113390315977016
Energy: 0.40087389550376684
Energy: 0.42383995306397526
Energy: 0.4079415977303952
Energy: 0.41450864444923313
Energy: 0.45867961953943753
Energy: 0.40058288578420526
Energy: 0.39987144375776595
Energy: 0.4388946945969421
Energy: 0.4006732524134709
Energy: 0.39977416753133344
Energy: 0.43044349299999374
Energy: 0.4139344444420898
Energy: 0.41532379517070445
Energy: 0.4305515521066281
Energy: 0.4265044327772147
Energy: 0.4151508103639142
Energy: 0.39979214136298824
Energy: 0.4125313764605223
Energy: 0.4115756529952803
Energy: 0.41240082982553095
Energy: 0.41231480386609637
Energy: 0.4114766263639053
Energy: 0.4266512674424881
Energy: 0.423948645970765
Energy: 0.41313101852985434
Energy: 0.44800130771418795
Energy: 0.42794126389471493
Energy: 0.4273803946792442
Energy: 0.6765331484027556
Energy: 0.42294234512209006
Energy: 0.4037370537881777
Energy: 0.4571704963032719
Energy: 0.4576005360997869
Energy: 0.41369959008065954
Energy: 0.4535539563268382
Energy: 0.4025944945074015
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Energy: 0.44764732274926633
Energy: 0.4038377802351292
Energy: 0.40198532552911304
Energy: 0.4241313787038076
Energy: 0.40039790104055983
Energy: 0.40100604080726404
Energy: 0.4306056700625641
Energy: 0.40128008571420015
Energy: 0.4176237583426739
Energy: 0.4026365012489326
Energy: 0.40153481432861254
Energy: 0.4016210149288134
Energy: 0.4026792392144233
Energy: 0.40127738939811125
Energy: 0.4130661894484972
Energy: 0.40272903009271405
Energy: 0.40437877682883344
Energy: 0.40350261227407214
Energy: 0.40326741471713845
Energy: 0.404088965187916
Energy: 0.404702057294287
Energy: 0.4590783827479237
Energy: 0.4113318669215832
Energy: 0.41151081287962554
Energy: 0.4596985661065799
Energy: 0.4180508471118416
Energy: 0.4602579151845042
Energy: 0.4257457253846529
Energy: 0.42554368868141396
Energy: 0.4142478153511653
Energy: 0.4025227888562632
Energy: 0.42163273101809445
Energy: 0.4051011425598928
Energy: 0.45078535000002967
Energy: 0.4111770413169841
Energy: 0.4006819213143797
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Energy: 0.46671376682464666
Energy: 0.40007508402940967
Energy: 0.4482005564332282
Energy: 0.4123781230476597
Energy: 0.4246539753877302
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Energy: 0.4250891353774317
Energy: 0.41174702469510804
Energy: 0.42504675445698614
Energy: 0.4121295292935382
Energy: 0.41371317965108034
Energy: 0.42376076994132905
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Energy: 0.41185520263570624
Energy: 0.41446055019432665
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Energy: 0.42077780446607577
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Energy: 0.45040699506088105
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Energy: 0.4006978015406933
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Energy: 0.42779941186218406
Energy: 0.42636577710641416
Energy: 0.4132075109249166
Energy: 0.4282756376895227
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Energy: 0.4257567066837585
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Energy: 0.4129585417968904
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Energy: 0.4033845060217485
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Energy: 0.5792351796555265
Energy: 0.43829965129806603
Energy: 0.40442430379036015
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Energy: 0.4340193984208382
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Energy: 0.42838324430596547
Energy: 0.40070823064956174
Energy: 0.4006377607414094
Energy: 0.4292177803408833
Energy: 0.40165945305195383
Energy: 0.4018674946907915
Energy: 0.40184792112651363
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Energy: 0.40466480570708696
Energy: 0.402428566645356
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Energy: 0.4016068289689744
Energy: 0.45731910895502775
Energy: 0.4116178870727763
Energy: 0.4361295150008666
Energy: 0.45765376867871405
Energy: 0.4111124489685546
Energy: 0.43660391685302297
Energy: 0.42693181337561004
Energy: 0.426327679621687
Energy: 0.4158014066391786
Energy: 0.41707815183864516
Energy: 0.4231370875722042
Energy: 0.415182469204192
Energy: 0.903096435291749
Energy: 0.4051299954728137
Energy: 0.4008991354262328
Energy: 0.40050289724047844
Energy: 0.4693093654680049
Energy: 0.4014954547917985

minimum gb energy = 0.39977416753133344 eV
minimum distance =  2.73033841204629 Angstroms
sigma value = 67


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

Energy: 0.6390083881728919
Energy: 0.46413799065487527
Energy: 0.4515647710466487
Energy: 0.46607736101315045
Energy: 0.46231789353658387
Energy: 0.45150761503003356
Energy: 0.46011846867719125
Energy: 0.4352224142641606
Energy: 0.4350868628582595
Energy: 0.43480966157373074
Energy: 0.4362842851695287
Energy: 0.43496950684860025
Energy: 0.4505081935244749
Energy: 0.4207844199747206
Energy: 0.4318955890915676
Energy: 0.43290753860795256
Energy: 0.4178873588807696
Energy: 0.4319014489025722
Energy: 0.4506908639756047
Energy: 0.4324613895894325
Energy: 0.4320907840461524
Energy: 0.4308635350224604
Energy: 0.4326672618487053
Energy: 0.4319233229198459
Energy: 0.4587908860575781
Energy: 0.4356830278408454
Energy: 0.436647979353784
Energy: 0.45913047080473723
Energy: 0.4355561642497694
Energy: 0.4368142381973231
Energy: 0.4596346718180851
Energy: 0.43901027259519354
Energy: 0.43776167924892556
Energy: 0.4601528514620923
Energy: 0.4388994538067775
Energy: 0.43786078076433754
Energy: 0.485163787108854
Energy: 0.4351488468786693
Energy: 0.4350619167837381
Energy: 0.41517859425869863
Energy: 0.4364068389723129
Energy: 0.4349301971647268

minimum gb energy = 0.41517859425869863 eV
minimum distance =  2.760742117266 Angstroms
sigma value = 3


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

Energy: 0.6917665804071916
Energy: 0.5614250392915093
Energy: 0.5050037887610511
Energy: 0.4859157371128233
Energy: 0.8430383671684666
Energy: 0.4964830715099499
Energy: 0.4908227115478175
Energy: 0.4916896810333646
Energy: 0.4920394999404967
Energy: 0.5133032346880158
Energy: 0.530333670465149
Energy: 0.4917927086826958
Energy: 0.5279559049046061
Energy: 0.4954979737740407
Energy: 0.49554821445685815
Energy: 0.5279171486641562
Energy: 0.4957278105770937
Energy: 0.4913813473368068
Energy: 0.49061572493243705
Energy: 0.49115801386986335
Energy: 0.4907816148273785
Energy: 0.4913212793608038
Energy: 0.4959720168229489
Energy: 0.49041007841174433
Energy: 0.49812617860712816
Energy: 0.48838887701139194
Energy: 0.49126576461099736
Energy: 0.48920028191171794
Energy: 0.49776705944016847
Energy: 0.48940698190029047
Energy: 0.4897437398599616
Energy: 0.48931735688589173
Energy: 0.48980234077375306
Energy: 0.49011412649477715
Energy: 0.48179203570924034
Energy: 0.4892808907584485
Energy: 0.4912928876172864
Energy: 0.4868162833323739
Energy: 0.48843607579422305
Energy: 0.4888228967715245
Energy: 0.504040618063574
Energy: 0.49613543064109344
Energy: 0.6785779155416628
Energy: 0.5320347474493888
Energy: 0.5332496772655361
Energy: 0.4863789972812306
Energy: 0.5260459585992657
Energy: 0.5238010931604716
Energy: 0.4930691343884277
Energy: 0.49110685899537493
Energy: 0.49873913458047636
Energy: 0.4912961049580216
Energy: 0.4844358949197514
Energy: 0.5071875511522412
Energy: 0.4944014798849692
Energy: 0.48494529076535287
Energy: 0.48420074091964715
Energy: 0.5387184753815445
Energy: 0.48507240094703347
Energy: 0.49111525801134104
Energy: 0.5081996916932352
Energy: 0.4888102961895058
Energy: 0.49123211478264867
Energy: 0.5087982168371554
Energy: 0.4826373571830894
Energy: 0.4958975820906305
Energy: 0.49026741831355347
Energy: 0.48804888682719433
Energy: 0.4868188809426952
Energy: 0.48857271278491743
Energy: 0.49249574734252616
Energy: 0.4864510049732671
Energy: 0.5021733661800657
Energy: 0.4878155884321388
Energy: 0.4861886758623039
Energy: 0.4848383362612263
Energy: 0.48695144785891886
Energy: 0.48667604584034846
Energy: 0.5292866357299819
Energy: 0.49085604971468094
Energy: 0.48762613479673295
Energy: 0.49762724378029394
Energy: 0.4885317221117459
Energy: 0.4877420515674011
Energy: 0.5233417986286579
Energy: 0.4917194961340779
Energy: 0.49191752959876095
Energy: 0.4947858633513107
Energy: 0.4924812814705169
Energy: 0.48914406367282276
Energy: 0.4975060739812909
Energy: 0.49357303542202446
Energy: 0.49255463954438244
Energy: 0.5099182422638386
Energy: 0.5267893659806093
Energy: 0.49239549483116557
Energy: 0.5578726392771471
Energy: 0.49675251808134563
Energy: 0.48896806373928836
Energy: 0.5579702445378022
Energy: 0.4958498822759726
Energy: 0.4824480464519707
Energy: 0.4929388519470342
Energy: 0.49167044522248654
Energy: 0.48672276492695654
Energy: 0.5063274790508048
Energy: 0.49521886952034005
Energy: 0.48911772058247555
Energy: 0.5707597609341178
Energy: 0.4909165631733269
Energy: 0.49112892525051455
Energy: 0.48823043279085737
Energy: 0.5165730639714714
Energy: 0.4858245539356985
Energy: 0.5460535298705586
Energy: 0.4899786644755549
Energy: 0.48966425221600873
Energy: 0.4877915357486269
Energy: 0.49547036353122237
Energy: 0.48416643547386407
Energy: 0.49734653750948143
Energy: 0.48907090277964765
Energy: 0.4886122508553198
Energy: 0.48859640475801586
Energy: 0.488560201302268
Energy: 0.4863088774189214
Energy: 0.4983844341457966
Energy: 0.5019692842880672
Energy: 0.4876677177902352
Energy: 0.49812390484732116
Energy: 0.4906697635683832
Energy: 0.4896885655245798
Energy: 0.50444010211425
Energy: 0.4969837282833298
Energy: 0.503942286464706
Energy: 0.5043710415731603
Energy: 0.5043718172128251
Energy: 0.5015053521615602
Energy: 0.499947888803608
Energy: 0.4856393284941037
Energy: 0.48629928303205044
Energy: 0.5003629560739249
Energy: 0.4860543030591618
Energy: 0.49962635898751756
Energy: 0.5022100104988917
Energy: 0.5002560796646959
Energy: 0.49717594998611897
Energy: 0.4876186330220474
Energy: 0.4898196767651158
Energy: 0.49772088175724194
Energy: 0.5850010712417306
Energy: 0.4844925981623651
Energy: 0.48479131106013396
Energy: 0.48143359875611363
Energy: 0.48585318668907845
Energy: 0.4965995561266338
Energy: 0.47800904737614625
Energy: 0.48478311865998663
Energy: 0.5077676688927675
Energy: 0.4803437563594743
Energy: 0.48456213045612284
Energy: 0.49695955997949715
Energy: 0.5040808666585663
Energy: 0.4967081279296617
Energy: 0.49712362760080697
Energy: 0.4887904554286584
Energy: 0.5006351504634885
Energy: 0.4978760184726981
Energy: 0.5096002013112313
Energy: 0.49601539120540505
Energy: 0.4959088470664736
Energy: 0.501388567575939
Energy: 0.4963699981065749
Energy: 0.5030455575129977
Energy: 0.5015337548414338
Energy: 0.5020308010250499
Energy: 0.5031860401691115
Energy: 0.5026092712656207
Energy: 0.5010183313391127
Energy: 0.5041112728467069
Energy: 0.5003307405800219
Energy: 0.5024257250976457
Energy: 0.5023929852412642
Energy: 0.5007699153770043
Energy: 0.5499869401272398
Energy: 0.5037061395189215
Energy: 0.5065638530265284
Energy: 0.4955314224692066
Energy: 0.49619205682685197
Energy: 0.4902917700981407
Energy: 0.494004791448789
Energy: 0.4966254773293455
Energy: 0.5727323485281082
Energy: 0.49085814217156765
Energy: 0.5015504782584109
Energy: 0.4870559392442453
Energy: 0.5286752481929264
Energy: 0.48876045616097785
Energy: 0.48461221346524264
Energy: 0.4869609905898389
Energy: 0.48597629737473813
Energy: 0.49171820710586955
Energy: 0.48704248191741684
Energy: 0.48584949278809725
Energy: 0.4969703046211644
Energy: 0.5022123153912298
Energy: 0.5081364248105965
Energy: 0.49313310428508855
Energy: 0.4815915217211824
Energy: 0.5060635373593029
Energy: 0.5195655446950207
Energy: 0.48473586266307284
Energy: 0.48426042967317323
Energy: 0.5201870426835485
Energy: 0.485226545600666
Energy: 0.49102493676258263
Energy: 0.4974963242046862
Energy: 0.4870334915328985
Energy: 0.4865497850819395
Energy: 0.49775044436197236
Energy: 0.48007782386379944
Energy: 0.4848905347193392
Energy: 0.5012770758172959
Energy: 0.4872840790062404
Energy: 0.4868830009127864
Energy: 0.4847852575993095
Energy: 0.48783562472779696
Energy: 0.48790196202073455
Energy: 0.5035725632432035
Energy: 0.4871721136359196
Energy: 0.4864800014742639
Energy: 0.5017205513377412
Energy: 0.4914152754414813
Energy: 0.48694135946374445
Energy: 0.5274006671995874
Energy: 0.4878159424634297
Energy: 0.4878703468079461
Energy: 0.4942474651744572
Energy: 0.48992501996794496
Energy: 0.4884028638028557
Energy: 0.4870422810545427
Energy: 0.48805770402177734
Energy: 0.4886499204828165
Energy: 0.5070209740572879
Energy: 0.5139621582326318
Energy: 0.4879590823179741
Energy: 0.547229675475496
Energy: 0.49152919670413214
Energy: 0.49396142909169105
Energy: 0.5249710333572387
Energy: 0.48636783855976007
Energy: 0.49354277051210904
Energy: 0.5600566220110721
Energy: 0.4953163527361323
Energy: 0.4937016516351474
Energy: 0.5738581706943399
Energy: 0.4953612728068294
Energy: 0.4821321943189388
Energy: 0.4858975049823453
Energy: 0.48990725495384935
Energy: 0.4878785994168889
Energy: 0.4915810713282817
Energy: 0.49204924448703735
Energy: 0.4875492255386922
Energy: 0.6450850888164507
Energy: 0.4845434379312141
Energy: 0.5206991781776626
Energy: 0.5386550134074148
Energy: 0.4838667055820702
Energy: 0.5197754304716102
Energy: 0.4948356069295073
Energy: 0.4908492690340855
Energy: 0.49087945783350406
Energy: 0.4931994180829053
Energy: 0.49380897856263356
Energy: 0.49066708264790904
Energy: 0.48521800929998155
Energy: 0.48794518936517306
Energy: 0.48672197182599847
Energy: 0.4876637747120106
Energy: 0.48496793129284094
Energy: 0.48606476759641754
Energy: 0.48391357214674896
Energy: 0.4881337948862872
Energy: 0.48956505512668197
Energy: 0.4838963152055227
Energy: 0.482948222909748
Energy: 0.4884391393902814
Energy: 0.48640077049639296
Energy: 0.48460243277569776
Energy: 0.4859132335761453
Energy: 0.48678347571343705
Energy: 0.48495612171817704
Energy: 0.4858485106383077
Energy: 0.49232309582886485
Energy: 0.4847290203317133
Energy: 0.4851350377292168
Energy: 0.49693504902071023
Energy: 0.48550765088458264
Energy: 0.49104262003480414
Energy: 0.494504276185642
Energy: 0.515945993101497
Energy: 0.49229802860462474
Energy: 0.5037152844836269
Energy: 0.5088656675824588
Energy: 0.49301674517520705

minimum gb energy = 0.47800904737614625 eV
minimum distance =  2.71656917614369 Angstroms
sigma value = 81


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

Energy: 0.9778318599758611
Energy: 0.523192699611414
Energy: 0.4674025314465466
Energy: 0.469858926595289
Energy: 0.5229887463530676
Energy: 0.502722665145694
Energy: 0.545561348432589
Energy: 0.49822415485692967
Energy: 0.5071568121933744
Energy: 0.4899159262797909
Energy: 0.49049514086265356
Energy: 0.47594684755348926
Energy: 0.5531617040623176
Energy: 0.506487012926827
Energy: 0.5051973751722657
Energy: 0.5108181188616091
Energy: 0.5008129899194077
Energy: 0.5086465788595655
Energy: 0.5471761969900112
Energy: 0.5062301051300009
Energy: 0.5504312714496362
Energy: 0.5492274146366481
Energy: 0.5076772616987872
Energy: 0.5023443636326109
Energy: 0.5457405479523456
Energy: 0.5433463745375132
Energy: 0.5454005023888814
Energy: 0.547628286018923
Energy: 0.5082381883393903
Energy: 0.5465844575170503
Energy: 0.5481189411854779
Energy: 0.5466031159630815
Energy: 0.5455501864962445
Energy: 0.5530828422209523
Energy: 0.549617183323685
Energy: 0.5463388541417871
Energy: 0.5449327640947073
Energy: 0.547017677910032
Energy: 0.5513960774040874
Energy: 0.45633393051400695
Energy: 0.5505683033056031
Energy: 0.546439916832539
Energy: 0.5806691197909163
Energy: 0.5804527401947093
Energy: 0.5792806794851789
Energy: 0.5069756459198503
Energy: 0.6167523044883226
Energy: 0.5187760845971233
Energy: 0.5349270573055611
Energy: 0.5314584753797387
Energy: 0.5388699217241033
Energy: 0.4557786860070858
Energy: 0.5266001963281007
Energy: 0.4594760027834372
Energy: 0.5391988255110095
Energy: 0.4439665289045634
Energy: 0.44474071218386846
Energy: 0.5319146099448007
Energy: 0.44424857343203195
Energy: 0.44649555604837154
Energy: 0.5416445190269411
Energy: 0.46187787298374094
Energy: 0.44450090334032044
Energy: 0.5155795277641357
Energy: 0.4445686341990892
Energy: 0.5150179506814374
Energy: 0.5060573068820535
Energy: 0.5345856738094239
Energy: 0.531601579579439
Energy: 0.501061271980855
Energy: 0.5312944271421944
Energy: 0.5351691174219152
Energy: 0.5055910223440885
Energy: 0.5595709538063848
Energy: 0.5519384615562164
Energy: 0.5006005507226559
Energy: 0.5534766582392365
Energy: 0.5054904529288069
Energy: 0.540886629327331
Energy: 0.5183333552992065
Energy: 0.5223966256517669
Energy: 0.5305979575416886
Energy: 0.5183991459882606
Energy: 0.52227252280536
Energy: 0.6043836173145846
Energy: 0.5550322375439017
Energy: 0.5515504564175929
Energy: 0.5614876764684252
Energy: 0.5212798220054449
Energy: 0.551537425739682
Energy: 0.5581800297835332
Energy: 0.5516064007924737
Energy: 0.5519688337682885
Energy: 0.5584141898041832
Energy: 0.5524904214146172
Energy: 0.5524947695410308
Energy: 0.6040512543359577
Energy: 0.5080727963605475
Energy: 0.4954840662642134
Energy: 0.6043442676523328
Energy: 0.5080836843178868
Energy: 0.5134342799085853
Energy: 0.5297651014005312
Energy: 0.554193609512391
Energy: 0.5341871916007193
Energy: 0.5270177640500444
Energy: 0.5571709026690084
Energy: 0.5391889528192204
Energy: 0.5035027518141373
Energy: 0.5500125979653239
Energy: 0.5147250928822185
Energy: 0.509464393511458
Energy: 0.5494983667907162
Energy: 0.5143498049533247
Energy: 0.5029194686341968
Energy: 0.5506606867655646
Energy: 0.5145355837074004
Energy: 0.5099706168367412
Energy: 0.5501279946467985
Energy: 0.5145412927854363
Energy: 0.5289535449589272
Energy: 0.5559640450818227
Energy: 0.5298775733741095
Energy: 0.5291345061743137
Energy: 0.5579823002960469
Energy: 0.538543651585668
Energy: 0.5551375715900051
Energy: 0.5007165441572795
Energy: 0.5054325977834896
Energy: 0.5554027453284103
Energy: 0.5075666673816674
Energy: 0.5048275559770895
Energy: 0.5526507134059123
Energy: 0.5534616028800153
Energy: 0.5497267974848219
Energy: 0.5530753595900227
Energy: 0.5528813650139269
Energy: 0.5559126408352949
Energy: 0.5571025578364551
Energy: 0.5510023857371621
Energy: 0.5507106231583684
Energy: 0.5590884295723183
Energy: 0.551287893671684
Energy: 0.5507984753905882
Energy: 0.5540309303449387
Energy: 0.5302867030738857
Energy: 0.5342719418285705
Energy: 0.5315996074591284
Energy: 0.5276906357475094
Energy: 0.5395354003851595
Energy: 0.5795974534805985
Energy: 0.5899640723245242
Energy: 0.5654348436787819
Energy: 0.5070177022934775
Energy: 0.5691220862509648
Energy: 0.5653397584216938
Energy: 0.5305666536078896
Energy: 0.5750687090365354
Energy: 0.5778301929931688
Energy: 0.4964455821666212
Energy: 0.5761873671805332
Energy: 0.5411134966544068
Energy: 0.5373060503010838
Energy: 0.4529341161599459
Energy: 0.5154911016907119
Energy: 0.5166949672407325
Energy: 0.45350037766667217
Energy: 0.5152505729681424
Energy: 0.5440518498072897
Energy: 0.4446277015947745
Energy: 0.4446097457709463
Energy: 0.5340951061224255
Energy: 0.4440095872273047
Energy: 0.4470041289130214
Energy: 0.5393389211255057
Energy: 0.5311157729232049
Energy: 0.4706424298516086
Energy: 0.45643574256339503
Energy: 0.5261049989467066
Energy: 0.45934074687577486
Energy: 0.5051802941995139
Energy: 0.5576938640608607
Energy: 0.5385084307580971
Energy: 0.5079355083437518
Energy: 0.5589367516059287
Energy: 0.5063166421997999
Energy: 0.5507095378077547
Energy: 0.5431045591093352
Energy: 0.5295895828195011
Energy: 0.4563583856801298
Energy: 0.5440879968944807
Energy: 0.5441759791846787
Energy: 0.5499557693432373
Energy: 0.5435851294435305
Energy: 0.5431706128935982
Energy: 0.5558671967824168
Energy: 0.5433435465727591
Energy: 0.5439869689207472
Energy: 0.5504149961875215
Energy: 0.5423975489833748
Energy: 0.5469150798840338
Energy: 0.5582191638702467
Energy: 0.5470956575107067
Energy: 0.5481299094960362
Energy: 0.5537866368402932
Energy: 0.49839431628831843
Energy: 0.5561527045398434
Energy: 0.5549589802483095
Energy: 0.5064070075547552
Energy: 0.511414003072075
Energy: 0.6080873158825133
Energy: 0.507996510199477
Energy: 0.5077757932272291
Energy: 0.5883488288900212
Energy: 0.5076056697053728
Energy: 0.5473093164073358
Energy: 0.5461692733449041
Energy: 0.5058467901183717
Energy: 0.5069214696893252
Energy: 0.4898225839727845
Energy: 0.4904650593751616
Energy: 0.47533322211651646
Energy: 0.614567164908081
Energy: 0.46653808292100307
Energy: 0.4675854657995661
Energy: 0.4603262370650233
Energy: 0.4661545411593974
Energy: 0.5040511581875844

minimum gb energy = 0.4439665289045634 eV
minimum distance =  2.70717989714221 Angstroms
sigma value = 43


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

Energy: 0.7395236466989367
Energy: 0.5277650729795527
Energy: 0.5202011150457173
Energy: 0.4790957058263428
Energy: 0.5676744735713692
Energy: 0.4784662420692677
Energy: 0.46735384314740114
Energy: 0.4833891326804794
Energy: 0.4905805782143527
Energy: 0.5062843517760678
Energy: 0.4687223937376121
Energy: 0.46945334849904036
Energy: 0.46592616846799545
Energy: 0.45871845428956337
Energy: 0.45898821852891275
Energy: 0.49229718329705
Energy: 0.4596762166638076
Energy: 0.46807621066252186
Energy: 0.46757049513867227
Energy: 0.46002933339404267
Energy: 0.4706542223545185
Energy: 0.4679335795571138
Energy: 0.47668184013474385
Energy: 0.4687228655736497
Energy: 0.4672066717128714
Energy: 0.4694100551199753
Energy: 0.471803267693937
Energy: 0.4674503281901415
Energy: 0.47122913600849214
Energy: 0.4705273329348829
Energy: 0.4671481188019602
Energy: 0.4712634944267452
Energy: 0.46951927536347426
Energy: 0.47027577661078185
Energy: 0.47035365644594057
Energy: 0.46864405651659596
Energy: 0.46808075226679857
Energy: 0.4686513948257425
Energy: 0.46853821468765083
Energy: 0.4675884573849264
Energy: 0.46796938754363115
Energy: 0.47001135989736087
Energy: 0.5369651699009875
Energy: 0.4677903169134368
Energy: 0.4675783976475052
Energy: 0.48679612956619056
Energy: 0.46740879636247734
Energy: 0.46924622132352806
Energy: 0.4658153047494211
Energy: 0.46563799634522507
Energy: 0.46578285564458566
Energy: 0.4662351729122792
Energy: 0.4657239307099635
Energy: 0.46917924258055016
Energy: 0.5688083019683015
Energy: 0.4712493367018692
Energy: 0.471097056598632
Energy: 0.5591651432293433
Energy: 0.4763100195697251
Energy: 0.47176367691322135
Energy: 0.4821378991755169
Energy: 0.48290126872002237
Energy: 0.4943997353884062
Energy: 0.46640349256571056
Energy: 0.47318662887571894
Energy: 0.48814835957192365
Energy: 0.47314748535939116
Energy: 0.4678987604271734
Energy: 0.46848308877656236
Energy: 0.45989289764644886
Energy: 0.4650742890184535
Energy: 0.46900131305691695
Energy: 0.48763320638377433
Energy: 0.46745757350546563
Energy: 0.47589709202798597
Energy: 0.46217580049430573
Energy: 0.4857511727550089
Energy: 0.4759012091404011
Energy: 0.47846877454239517
Energy: 0.46910929737722845
Energy: 0.46514294155869423
Energy: 0.4659630722168668
Energy: 0.4671687373079015
Energy: 0.48873006443544453
Energy: 0.4829160200323631
Energy: 0.4780441386301637
Energy: 0.49202874486149484
Energy: 0.48313005247357693
Energy: 0.4687277899355356
Energy: 0.4917788689392004
Energy: 0.4778152200461637
Energy: 0.4721312982386825
Energy: 0.47920314940845077
Energy: 0.4777664716806057
Energy: 0.4744009137241923
Energy: 0.47770730964115743
Energy: 0.47008446685603056
Energy: 0.494581845588339
Energy: 0.49443636105833977
Energy: 0.4698186030461489
Energy: 0.484355830206101
Energy: 0.49464227891140977
Energy: 0.47555537766431094
Energy: 0.4942648621543502
Energy: 0.4871492392138262
Energy: 0.4881884987151761
Energy: 0.48418798096920534
Energy: 0.4870716490426944
Energy: 0.466756630758663
Energy: 0.47601937001882383
Energy: 0.4771186764079232
Energy: 0.4733057512046339
Energy: 0.47660191276817193
Energy: 0.46964711318436275
Energy: 0.4668385667914639
Energy: 0.4763089470254816
Energy: 0.4780589700088349
Energy: 0.475349489497238
Energy: 0.4770126216524329
Energy: 0.4696629745647074
Energy: 0.4754953338494123
Energy: 0.4897929222440311
Energy: 0.4846892922108731
Energy: 0.4890431680156752
Energy: 0.4763572210205605
Energy: 0.4875680583224994
Energy: 0.5242789347474621
Energy: 0.4771246945159584
Energy: 0.4770651687249695
Energy: 0.5243732472081091
Energy: 0.46431475990806054
Energy: 0.5256031167456113
Energy: 0.4811037043308105
Energy: 0.483415161619483
Energy: 0.48922288030868794
Energy: 0.4887567088469214
Energy: 0.48433542366965526
Energy: 0.49061224061689224
Energy: 0.5499446164239152
Energy: 0.47704563889229656
Energy: 0.48610677169121885
Energy: 0.48551079594542373
Energy: 0.46816615288320984
Energy: 0.4858961237272872
Energy: 0.48319757033555333
Energy: 0.47594186879937606
Energy: 0.47647914257801743
Energy: 0.4842708893483456
Energy: 0.4764205073822981
Energy: 0.4858963704328165
Energy: 0.5078753722501239
Energy: 0.486642500406762
Energy: 0.48576888598182016
Energy: 0.4847865420014298
Energy: 0.48174597457694807
Energy: 0.48570371888522823
Energy: 0.5075482125762721
Energy: 0.48638553588013067
Energy: 0.48606818210798614
Energy: 0.4663512121734679
Energy: 0.484396860736807
Energy: 0.4870968487631438
Energy: 0.5103337292651665
Energy: 0.473705316022642
Energy: 0.46558207237021676
Energy: 0.46526514381833733
Energy: 0.4678238453838549
Energy: 0.4688136627089251
Energy: 0.4648236545209476
Energy: 0.46911164742083805
Energy: 0.4689751966467375
Energy: 0.4646333735008122
Energy: 0.48659197044097846
Energy: 0.46902053863301424
Energy: 0.4675399644971724
Energy: 0.46990221031870266
Energy: 0.4735705505688675
Energy: 0.5059635942947414
Energy: 0.46866968433013184
Energy: 0.46928877690850546
Energy: 0.46789804225615156
Energy: 0.5153751024532494
Energy: 0.48468248066617386
Energy: 0.4784385783265207
Energy: 0.5550580563733425
Energy: 0.48759106238880495

minimum gb energy = 0.45871845428956337 eV
minimum distance =  2.70892932437183 Angstroms
sigma value = 57


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

Energy: 0.5938536927334609
Energy: 0.5527942723186646
Energy: 0.4858820254357795
Energy: 0.46099979792487505
Energy: 0.5355018925030953
Energy: 0.48572294795022
Energy: 0.48272301358529546
Energy: 0.4916013213531647
Energy: 0.46586271760812387
Energy: 0.4632837698037762
Energy: 0.4789901188339087
Energy: 0.47196026284253684
Energy: 0.4617036904824676
Energy: 0.44213903730926596
Energy: 0.44603779158827245
Energy: 0.4807408276954777
Energy: 0.44244281609832997
Energy: 0.44728128282804724
Energy: 0.4821478213866206
Energy: 0.4423884010129502
Energy: 0.44551106877411123
Energy: 0.4826613862551163
Energy: 0.44429161959218455
Energy: 0.46219762121574715
Energy: 0.48881208937799825
Energy: 0.4602605113812851
Energy: 0.45985716771894813
Energy: 0.4890116085305801
Energy: 0.46926844949413254
Energy: 0.46003208705014204
Energy: 0.4466247197555939
Energy: 0.45929880482225055
Energy: 0.4592767060961796
Energy: 0.461379491938685
Energy: 0.4660178556269403
Energy: 0.4623657834664982
Energy: 0.4636726684755763
Energy: 0.48347160094096336
Energy: 0.4826278992642645
Energy: 0.4609920025162349
Energy: 0.4839788827972383
Energy: 0.4698469632970584
Energy: 0.4901272957443621
Energy: 0.47124527705708597
Energy: 0.46287464513416454
Energy: 0.46540782584773893
Energy: 0.47670309024063395
Energy: 0.4622849525877267
Energy: 0.4639179162809432
Energy: 0.48358015157860895
Energy: 0.48213610918845534
Energy: 0.46106972598822904
Energy: 0.49031552712275356
Energy: 0.4725347788289305
Energy: 0.5233550778587042
Energy: 0.48202746321194895
Energy: 0.48284080771030435
Energy: 0.4632302548521654
Energy: 0.4705184947223053
Energy: 0.48278539488123207
Energy: 0.463767954507345
Energy: 0.46523631320402475
Energy: 0.47114115523262623
Energy: 0.4774417361870209
Energy: 0.4918668653066522
Energy: 0.48057739799005084
Energy: 0.4580437104412131
Energy: 0.4885311752414545
Energy: 0.48255508576400474
Energy: 0.45967134620782224
Energy: 0.47796993731742843
Energy: 0.4789068964086215
Energy: 0.4582331773271879
Energy: 0.4811802976799798
Energy: 0.4792492009974835
Energy: 0.4460895886719463
Energy: 0.4615322959141739
Energy: 0.4783394079006177
Energy: 0.4631171608086585
Energy: 0.47332718114738975
Energy: 0.47200258085297936
Energy: 0.4786217744714549
Energy: 0.4612836910030111
Energy: 0.46562942318560185
Energy: 0.4641797213916044
Energy: 0.4546218293297613
Energy: 0.4580622634986977
Energy: 0.4649258351165611
Energy: 0.44614902692561154
Energy: 0.45735898074722103
Energy: 0.4848749866570984
Energy: 0.46935353050180745
Energy: 0.4700291418425976
Energy: 0.48534633778392716
Energy: 0.46533811947629905
Energy: 0.46984564526709766
Energy: 0.4906281245591549
Energy: 0.45968458949933
Energy: 0.4595432631810199
Energy: 0.46706766533191113
Energy: 0.45970091258073353
Energy: 0.45744518254818917
Energy: 0.4909874046677608
Energy: 0.4692741755228105
Energy: 0.46647657695537104
Energy: 0.4668628747859779
Energy: 0.4891679568923546
Energy: 0.4610700573957716
Energy: 0.49625042018843013
Energy: 0.48328483131325284
Energy: 0.45972992838083926
Energy: 0.4729717402497146
Energy: 0.48219424444878867
Energy: 0.49118890564393014
Energy: 0.496679808173324
Energy: 0.4821052133229169
Energy: 0.48281632939265234
Energy: 0.46658374203051
Energy: 0.48201301898007043
Energy: 0.48083783434322325
Energy: 0.47657284283513307
Energy: 0.49021694293084994
Energy: 0.47227330455088273
Energy: 0.47719411300725884
Energy: 0.4919097313004479
Energy: 0.47040419947349
Energy: 0.515715655025994
Energy: 0.4773046912624306
Energy: 0.46484782517432643
Energy: 0.5156030896372346
Energy: 0.4768973529811129
Energy: 0.464725110761606
Energy: 0.46266342253644316
Energy: 0.4878452232196742
Energy: 0.48798538863969887
Energy: 0.4774204003146579
Energy: 0.46132018289853705
Energy: 0.4667778956497533
Energy: 0.4582791659605048
Energy: 0.48101081765535836
Energy: 0.47832150038858257
Energy: 0.4658324619445213
Energy: 0.46264274075521616
Energy: 0.4781468544565871

minimum gb energy = 0.44213903730926596 eV
minimum distance =  2.71182029382273 Angstroms
sigma value = 17


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

Energy: 0.43968050669787784
Energy: 0.500642375794833
Energy: 0.5757908127651545
Energy: 0.4809438384893567
Energy: 0.5256762649623133
Energy: 0.4510866921805578
Energy: 0.5341895149996481
Energy: 0.5113862051965252
Energy: 0.5134782211831443
Energy: 0.5194106659109761
Energy: 0.5119047576010188
Energy: 0.46446107052930874
Energy: 0.5070248764816123
Energy: 0.4361638598379251
Energy: 0.4363703888949976
Energy: 0.5027132513259381
Energy: 0.43608082393325287
Energy: 0.4496947319312621
Energy: 0.5206145169495564
Energy: 0.4506352043216943
Energy: 0.4504674064529445
Energy: 0.5204362197980132
Energy: 0.42038711635677267
Energy: 0.47013298396345043
Energy: 0.4553302366963688
Energy: 0.43835625367166947
Energy: 0.4306013437716905
Energy: 0.45454692159660703
Energy: 0.44548677536551107
Energy: 0.4322453103073579
Energy: 0.45246835726038376
Energy: 0.44720822826875034
Energy: 0.4345130620932896
Energy: 0.4265611930107559
Energy: 0.4531594792987924
Energy: 0.4261153390312133
Energy: 0.4506255633498973
Energy: 0.44870988515836957
Energy: 0.44898422531988946
Energy: 0.4500002284911742
Energy: 0.45178802903878684
Energy: 0.43393709752261067
Energy: 0.43753146653175895
Energy: 0.4192840956454486
Energy: 0.41938491334311406
Energy: 0.42083334883029433
Energy: 0.4190467124125055
Energy: 0.41914733028264
Energy: 0.45051190841187394
Energy: 0.4209841330627021
Energy: 0.42112837529255503
Energy: 0.4515823717024143
Energy: 0.44803521973365373
Energy: 0.45063153515978216
Energy: 0.4536787765605147
Energy: 0.4343352996452727
Energy: 0.43428524227088106
Energy: 0.45317226809324457
Energy: 0.4305376838830375
Energy: 0.4411086928334917
Energy: 0.4496702523959525
Energy: 0.4326749651867271
Energy: 0.4312424357630889
Energy: 0.44574776321954107
Energy: 0.454718366841181
Energy: 0.43020603317452405
Energy: 0.4552347314277736
Energy: 0.5174148318297854
Energy: 0.5175521655093893
Energy: 0.45483665626708913
Energy: 0.5172581359442772
Energy: 0.5069719614372729
Energy: 0.45423359092756677
Energy: 0.49745316715863863
Energy: 0.4980870063280982
Energy: 0.43088291618721347
Energy: 0.5014338577134978
Energy: 0.4981337699463561
Energy: 0.5209067183884708
Energy: 0.517953662161874
Energy: 0.5114187066233482
Energy: 0.5198011751225409
Energy: 0.5184848458013741
Energy: 0.4646141087711222
Energy: 0.48917402717654385
Energy: 0.5047916616189093
Energy: 0.5147773888584289
Energy: 0.5067273776276463
Energy: 0.4997676311034185
Energy: 0.5041344122574951
Energy: 0.5818486291981269
Energy: 0.5151191165968206
Energy: 0.4608788105230613
Energy: 0.5119009532915945
Energy: 0.5146376479498467
Energy: 0.5133105751296709
Energy: 0.4349883655362615
Energy: 0.5031671331772047
Energy: 0.5379022224141121
Energy: 0.43262753981362834
Energy: 0.5025683318398677
Energy: 0.5382340531856388

minimum gb energy = 0.4190467124125055 eV
minimum distance =  2.69273626005911 Angstroms
sigma value = 17


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

Energy: 0.4180531494117394
Energy: 0.6153879636528291
Energy: 0.4536901372199628
Energy: 0.43495290787746754
Energy: 0.514662236834733
Energy: 0.4533884392529946
Energy: 0.47316174898268193
Energy: 0.49847452250618957
Energy: 0.41083312319511006
Energy: 0.5149587281654058
Energy: 0.516419211776184
Energy: 0.45408902916747407
Energy: 0.6184000214158231
Energy: 0.3951474314363385
Energy: 0.415583322935256
Energy: 0.5137660083772684
Energy: 0.3952157276780801
Energy: 0.41631592264657946
Energy: 0.5114582860931358
Energy: 0.44342978994502774
Energy: 0.44563679649829063
Energy: 0.5122128449033825
Energy: 0.3969295503988658
Energy: 0.459059848313456
Energy: 0.44359931135434644
Energy: 0.41183152800641204
Energy: 0.4109773887570773
Energy: 0.44413478408086965
Energy: 0.42920233793432777
Energy: 0.41235431146101614
Energy: 0.44170362534021884
Energy: 0.43248994136736596
Energy: 0.39217270542873506
Energy: 0.39392957548800767
Energy: 0.4375700834489259
Energy: 0.39294838091831397
Energy: 0.40913647989542895
Energy: 0.44232653949335377
Energy: 0.43703937800776427
Energy: 0.40071202580719884
Energy: 0.43947311076126644
Energy: 0.39027997911898477
Energy: 0.40985036783887663
Energy: 0.3832748069661006
Energy: 0.3874781122121768
Energy: 0.3895153538962346
Energy: 0.3841738189553877
Energy: 0.3872779930460047
Energy: 0.410182196761962
Energy: 0.3886225789931139
Energy: 0.40584768477587263
Energy: 0.41086371054927456
Energy: 0.417066715026953
Energy: 0.40933784362504455
Energy: 0.40925430195622386
Energy: 0.38833923501428225
Energy: 0.38839198342368864
Energy: 0.40941577154548486
Energy: 0.3877783589674585
Energy: 0.38835611040560025
Energy: 0.41826095060990404
Energy: 0.40979338133077864
Energy: 0.38709334917193067
Energy: 0.3869454477521707
Energy: 0.4094612311053106
Energy: 0.387218696421448
Energy: 0.4115234623430637
Energy: 0.4155678528911594
Energy: 0.40932796473664634
Energy: 0.41223755410166973
Energy: 0.41275305354206476
Energy: 0.4055675059964612
Energy: 0.41717228718900223
Energy: 0.38736497127117886
Energy: 0.3871775153250748
Energy: 0.3880124916478632
Energy: 0.3971675552121688
Energy: 0.387267962661104
Energy: 0.43795399219019315
Energy: 0.3901891050199048
Energy: 0.389904778550547
Energy: 0.4381322410259076
Energy: 0.3930959462502687
Energy: 0.43730149919166617
Energy: 0.437384259067419
Energy: 0.39941766995915495
Energy: 0.398773620323827
Energy: 0.43745640727949514
Energy: 0.39788996872555543
Energy: 0.40910579858540125
Energy: 0.5127672217362881
Energy: 0.4302214880506727
Energy: 0.41145447282493036
Energy: 0.42877339446288126
Energy: 0.44517100389595193
Energy: 0.41042177182062256
Energy: 0.41019296748464956
Energy: 0.509065846329203
Energy: 0.5090866719298499
Energy: 0.4108860657891131
Energy: 0.513960039341963
Energy: 0.406266405849516
Energy: 0.4105127048804466
Energy: 0.4941253002973681
Energy: 0.4951472475477008
Energy: 0.41117284895861117
Energy: 0.5128380673958547
Energy: 0.41107949046691383
Energy: 0.5713547970870703
Energy: 0.509441098008579
Energy: 0.4546150780424146
Energy: 0.5094870149049581
Energy: 0.4369632680829968
Energy: 0.41172110294945574
Energy: 0.6246879496102418
Energy: 0.4271368865401761
Energy: 0.41919749455985483
Energy: 0.4959656525504658
Energy: 0.4281592202493737
Energy: 0.4727382682739321
Energy: 0.6122297809739783
Energy: 0.5002002405913505
Energy: 0.492592118910672
Energy: 0.510011729094777
Energy: 0.5198315632520342
Energy: 0.4937939445365881
Energy: 0.4163287422557795
Energy: 0.500838415546582
Energy: 0.5437640944480121
Energy: 0.39909265658217674
Energy: 0.49677334890134334
Energy: 0.442522755575917
Energy: 0.4178871548553406
Energy: 0.49456590818261204
Energy: 0.4955158764923635
Energy: 0.4188009018165923
Energy: 0.4937317753777227
Energy: 0.48131469769607793
Energy: 0.6115048682062854
Energy: 0.3942068600700792
Energy: 0.4069756358462711
Energy: 0.5101524680090576
Energy: 0.4097499789060268
Energy: 0.49478391378701797
Energy: 0.5087795888490438
Energy: 0.39590005301125814
Energy: 0.4155026341853153
Energy: 0.5088274246544978
Energy: 0.39615418003596825
Energy: 0.41593008606762233
Energy: 0.44529556753544497
Energy: 0.41018978682335916
Energy: 0.4088421820648547
Energy: 0.44529660591456166
Energy: 0.42863543992878833
Energy: 0.43024011640685983
Energy: 0.40301743353343955
Energy: 0.41262306860153064
Energy: 0.4188617265521818
Energy: 0.3941112738413014
Energy: 0.4118323766422499
Energy: 0.394590373783883
Energy: 0.40690857212771525
Energy: 0.441687383105002
Energy: 0.4374668457871862
Energy: 0.4074332823521038
Energy: 0.43921003632798306
Energy: 0.4371490100062915
Energy: 0.4120682123421608
Energy: 0.38932794442328644
Energy: 0.39112919614566066
Energy: 0.3912711467349426
Energy: 0.4155920031235512
Energy: 0.39140355675108346
Energy: 0.41658969961164416
Energy: 0.3833151288273095
Energy: 0.3876797563805085
Energy: 0.41740163337426595
Energy: 0.38382117688287004
Energy: 0.38719897443188767
Energy: 0.41263016290514254
Energy: 0.38494344452995616
Energy: 0.385355316258582
Energy: 0.41346823510182046
Energy: 0.38497764944170837
Energy: 0.4002968894961307
Energy: 0.4147977742582071
Energy: 0.38518188861172464
Energy: 0.3855532305045113
Energy: 0.4241837127583642
Energy: 0.39039223497150877
Energy: 0.38561953307084473
Energy: 0.41537333663577986
Energy: 0.4132785701022797
Energy: 0.40955604953620106
Energy: 0.4154535823760381
Energy: 0.41043734735587667
Energy: 0.40933394285899977
Energy: 0.42687535729146137
Energy: 0.3935426746602401
Energy: 0.3901657987915972
Energy: 0.3885580231564225
Energy: 0.38769692168493675
Energy: 0.3905146014934321
Energy: 0.4420921679482694
Energy: 0.38872076116395743
Energy: 0.3892957456670309
Energy: 0.44242661827977237
Energy: 0.3883504911932837
Energy: 0.38940680256446064
Energy: 0.44325250622830425
Energy: 0.3895992419926959
Energy: 0.4086042448454496
Energy: 0.4438823960937785
Energy: 0.3896960245185154
Energy: 0.4299318355482169
Energy: 0.5765561559637316
Energy: 0.4068489940803323
Energy: 0.4066820861943188
Energy: 0.4307550876637905
Energy: 0.4026963917212455
Energy: 0.40850310144036817
Energy: 0.41420096954876345
Energy: 0.5133635152166728
Energy: 0.42969688380991505
Energy: 0.4305449031088871
Energy: 0.5103323651441186
Energy: 0.4305028191946805
Energy: 0.40964606639109613
Energy: 0.47914699097780455
Energy: 0.4273537690881665
Energy: 0.40613809688427727
Energy: 0.4740096045914665
Energy: 0.4240600856816168
Energy: 0.43763213347642177
Energy: 0.4928712615665718
Energy: 0.49374123556044586
Energy: 0.444591231971606
Energy: 0.5115066464154308
Energy: 0.4569726171120206
Energy: 0.5757194976761815
Energy: 0.41182305030703265
Energy: 0.47851940538695215
Energy: 0.49993636282571396
Energy: 0.40787877159048425
Energy: 0.47670302621982125
Energy: 0.6173647090727981
Energy: 0.4512948474991441
Energy: 0.4055268767857342
Energy: 0.5103472654243975
Energy: 0.43038812854469294
Energy: 0.49543260153548263
Energy: 0.4187122909757611
Energy: 0.4942887595750594
Energy: 0.49522185379037126
Energy: 0.4200496982408819
Energy: 0.4936434199431446
Energy: 0.4814427331501982

minimum gb energy = 0.3832748069661006 eV
minimum distance =  2.70480632831962 Angstroms
sigma value = 57


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

Energy: 0.38159152265855795
Energy: 0.6043643934615798
Energy: 0.4247192985411387
Energy: 0.37227967269444956
Energy: 0.6074978080942348
Energy: 0.43072318657474
Energy: 0.5411880356502491
Energy: 0.390603049783849
Energy: 0.38688045161412127
Energy: 0.49661713316365064
Energy: 0.49221578065684507
Energy: 0.3871309396331539
Energy: 0.5824317249903851
Energy: 0.371424481012945
Energy: 0.37123063873273365
Energy: 0.4962325553721795
Energy: 0.3713305132148565
Energy: 0.4012732166338342
Energy: 0.4926788491710481
Energy: 0.3710441638001644
Energy: 0.4265611895248636
Energy: 0.4929828086280084
Energy: 0.37469144073407257
Energy: 0.4307930053606407
Energy: 0.42080354278369214
Energy: 0.3898500899321285
Energy: 0.3875731724244701
Energy: 0.4213383173587648
Energy: 0.4121402836609805
Energy: 0.38883614540315165
Energy: 0.373980073922262
Energy: 0.42691091303787526
Energy: 0.3701785029512882
Energy: 0.35951784184496244
Energy: 0.4351981064581438
Energy: 0.37072572199738496
Energy: 0.40303642108690424
Energy: 0.42914220944630416
Energy: 0.43264051085868255
Energy: 0.3646311421951638
Energy: 0.4283990022630883
Energy: 0.36401457833271866
Energy: 0.5228607839111457
Energy: 0.3567034913842106
Energy: 0.3564840815069017
Energy: 0.3703229948991338
Energy: 0.3566989707250818
Energy: 0.3632123630290934
Energy: 0.3935210881467752
Energy: 0.38460703250816863
Energy: 0.39250431944146646
Energy: 0.3946154647324469
Energy: 0.3779179039531056
Energy: 0.40076573414050676
Energy: 0.3912555904963223
Energy: 0.3553633984378747
Energy: 0.36172504342895684
Energy: 0.39137628074433317
Energy: 0.36099932532875373
Energy: 0.35548887032143855
Energy: 0.3803806090058142
Energy: 0.37676602204080617
Energy: 0.353818024738965
Energy: 0.35290275939616045
Energy: 0.3862172186857874
Energy: 0.3539084073921462
Energy: 0.3942173363090348
Energy: 0.38220092918101983
Energy: 0.38553374561755205
Energy: 0.38554961271648575
Energy: 0.3805252992363818
Energy: 0.35695939259589743
Energy: 0.377482820252427
Energy: 0.38381720122716084
Energy: 0.36063631632479637
Energy: 0.3566122162316489
Energy: 0.3842494478762593
Energy: 0.36050287206865456
Energy: 0.37781624892331395
Energy: 0.3561618288173435
Energy: 0.3777482080548934
Energy: 0.37878243520020854
Energy: 0.384035344196241
Energy: 0.3855944592186376
Energy: 0.3768287719335291
Energy: 0.3548805787733811
Energy: 0.3543284110402281
Energy: 0.3769244468983554
Energy: 0.3566233536206498
Energy: 0.3539646703705974
Energy: 0.4005760012591435
Energy: 0.4002934252765324
Energy: 0.3593444712029414
Energy: 0.36014852892096955
Energy: 0.3984083061713231
Energy: 0.3592055964703335
Energy: 0.3780666485723319
Energy: 0.3986240587752813
Energy: 0.391477627619181
Energy: 0.37988484528220073
Energy: 0.3960032084733482
Energy: 0.36296099724499253
Energy: 0.3791500540945634
Energy: 0.3709454366069309
Energy: 0.3704621517513587
Energy: 0.37983460168874655
Energy: 0.3698804571579128
Energy: 0.36315627563009817
Energy: 0.4252110058600429
Energy: 0.3657714056755665
Energy: 0.3939011418140232
Energy: 0.42650423127419823
Energy: 0.36949426631669574
Energy: 0.4246536169738703
Energy: 0.4870487918263907
Energy: 0.37523824041416765
Energy: 0.37475375291085844
Energy: 0.41189304195609866
Energy: 0.37472660826476095
Energy: 0.3863636648448874
Energy: 0.5452879141670552
Energy: 0.41200679556251296
Energy: 0.37382038233195203
Energy: 0.41159156386220924
Energy: 0.41240632707650543
Energy: 0.3862361669647655
Energy: 0.37739688100289265
Energy: 0.5006105079807367
Energy: 0.4041321702630933
Energy: 0.3651597839515004
Energy: 0.4975326571443077
Energy: 0.38602718983525564
Energy: 0.3943020052867414
Energy: 0.44820643373498714
Energy: 0.4414480930547901
Energy: 0.39535863995314713
Energy: 0.49321072814782047
Energy: 0.4384727885438911
Energy: 0.5425113902214951
Energy: 0.4136854789163508
Energy: 0.3834943624618517
Energy: 0.41277950114018563
Energy: 0.4201903982738316
Energy: 0.38847396409460644
Energy: 0.5857501488839298
Energy: 0.3835297607850821
Energy: 0.3895438067168826
Energy: 0.45467165380385205
Energy: 0.38669643319549013
Energy: 0.45081101702665016
Energy: 0.5801761270265732
Energy: 0.4433505442200515
Energy: 0.44128325104729066
Energy: 0.4942998022574528
Energy: 0.46443492101278266
Energy: 0.38621159059895277
Energy: 0.3805729365566607
Energy: 0.4507737578589564
Energy: 0.42942006186487214
Energy: 0.3735420849650503
Energy: 0.46140596679764584
Energy: 0.39612587461277765

minimum gb energy = 0.35290275939616045 eV
minimum distance =  2.71615732708189 Angstroms
sigma value = 43


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

Energy: 0.32886514387761945
Energy: 0.4285571229279363
Energy: 0.38421066996101705
Energy: 0.3202992995629908
Energy: 0.443666411770056
Energy: 0.36120999389774067
Energy: 0.45949657094753454
Energy: 0.3264538133387835
Energy: 0.32709549417248596
Energy: 0.3959585897314566
Energy: 0.35765549940049984
Energy: 0.32351561990005734
Energy: 0.4990406790384388
Energy: 0.3123028978553453
Energy: 0.3223833209803047
Energy: 0.4000054375769659
Energy: 0.31150618728761303
Energy: 0.32159745810495904
Energy: 0.43081486905595434
Energy: 0.321804894725952
Energy: 0.32405232541016127
Energy: 0.36029125392000294
Energy: 0.34901952384086
Energy: 0.3688793108359452
Energy: 0.3967203881910876
Energy: 0.32583356992312745
Energy: 0.3266176202151118
Energy: 0.35282213057158235
Energy: 0.38366239206630975
Energy: 0.3230953453057296
Energy: 0.3183232634332519
Energy: 0.37836596071911927
Energy: 0.31686303894378604
Energy: 0.30442628109292924
Energy: 0.37782158317578385
Energy: 0.3155008527032109
Energy: 0.45734724431310336
Energy: 0.37813186051824155
Energy: 0.3779348962572256
Energy: 0.30984789226724574
Energy: 0.38177405110132806
Energy: 0.30882256259261975
Energy: 0.4527387537843313
Energy: 0.2991620037124514
Energy: 0.30378244922000736
Energy: 0.3081221370697425
Energy: 0.29945257302151806
Energy: 0.30374564607760407
Energy: 0.35047851874680336
Energy: 0.304104421193941
Energy: 0.3487939067304311
Energy: 0.3512817067511039
Energy: 0.3246289407690653
Energy: 0.3488593757338715
Energy: 0.3494535873252927
Energy: 0.3010907397112071
Energy: 0.300920181566438
Energy: 0.34912592924937047
Energy: 0.30119082164311806
Energy: 0.30049052528567277
Energy: 0.3156714762547018
Energy: 0.33146818519807325
Energy: 0.29879456051207753
Energy: 0.29619867728777555
Energy: 0.33203751082233207
Energy: 0.295796138484079
Energy: 0.3522090487287673
Energy: 0.3315967387285092
Energy: 0.3314045309934115
Energy: 0.299338390638139
Energy: 0.33630663307011616
Energy: 0.298291877596835
Energy: 0.4324690123142362
Energy: 0.31312688365994573
Energy: 0.3313633401286916
Energy: 0.3316628417673339
Energy: 0.2950137289212189
Energy: 0.29925812019291603
Energy: 0.32143520239985357
Energy: 0.2973487164969895
Energy: 0.32155598798078255
Energy: 0.3224463346312285
Energy: 0.31700383073842053
Energy: 0.32150124594931745
Energy: 0.321367461965502
Energy: 0.2950629649289762
Energy: 0.29498469595558013
Energy: 0.3213897286823179
Energy: 0.2938652023872726
Energy: 0.2945092376726128
Energy: 0.31860606486219295
Energy: 0.3167521824724029
Energy: 0.29344922108155996
Energy: 0.29306123502384535
Energy: 0.3167544632208993
Energy: 0.2924396053736538
Energy: 0.3235883605507528
Energy: 0.3166544817250881
Energy: 0.31682934042323757
Energy: 0.31287064645272666
Energy: 0.31660645379104735
Energy: 0.295629279621425
Energy: 0.31718348034281113
Energy: 0.29507763303639667
Energy: 0.2951291628966519
Energy: 0.3170479469202968
Energy: 0.29648706274415815
Energy: 0.2953023371933315
Energy: 0.316969438578147
Energy: 0.3100268350007303
Energy: 0.31685928452373674
Energy: 0.3178560323690543
Energy: 0.3525452012001485
Energy: 0.3169929452617398
Energy: 0.3182091411179832
Energy: 0.29885363151960775
Energy: 0.2988571334213547
Energy: 0.3176939236071806
Energy: 0.2999126024726293
Energy: 0.30016727566976226
Energy: 0.33347879027847027
Energy: 0.3214570976025184
Energy: 0.3215046588173997
Energy: 0.29825203435758063
Energy: 0.32133315988753763
Energy: 0.29962832207137124
Energy: 0.3178950785241669
Energy: 0.32159373606663477
Energy: 0.31307362589654836
Energy: 0.29425234091592395
Energy: 0.321553144213961
Energy: 0.2938105716942825
Energy: 0.3315633445494041
Energy: 0.2960159737424856
Energy: 0.29616484435458573
Energy: 0.3315522485096985
Energy: 0.2956000473790873
Energy: 0.29587182414231594
Energy: 0.3316209676135143
Energy: 0.3033026822913809
Energy: 0.33136461383616406
Energy: 0.3325633488967086
Energy: 0.3106310079387051
Energy: 0.3314911916776584
Energy: 0.4407897717410434
Energy: 0.316656030466504
Energy: 0.3218628637029518
Energy: 0.3421175685600319
Energy: 0.29740764140827275
Energy: 0.30565765783466803
Energy: 0.4042794593420114
Energy: 0.3490878459888662
Energy: 0.34880404042900615
Energy: 0.2998810715682781
Energy: 0.34939556607241834
Energy: 0.2992462594770748
Energy: 0.3172106111116649
Energy: 0.34883206345065104
Energy: 0.3081798215917832
Energy: 0.2997943798635353
Energy: 0.34881545792433916
Energy: 0.3015135707926887
Energy: 0.35960038310909
Energy: 0.3107913197701638
Energy: 0.3101942459167114
Energy: 0.36016884850791525
Energy: 0.3335470153477399
Energy: 0.308749787869378
Energy: 0.3797755334023973
Energy: 0.3125253924605846
Energy: 0.37801918998234313
Energy: 0.38072742294733225
Energy: 0.318114149987352
Energy: 0.37786179319136537
Energy: 0.4688292466593963
Energy: 0.30584912959161653
Energy: 0.3124237637200502
Energy: 0.3584830849714856
Energy: 0.3056388329277398
Energy: 0.31208354624694734
Energy: 0.4679809994889298
Energy: 0.35743923498344093
Energy: 0.35788016566399505
Energy: 0.3573888498781786
Energy: 0.3585129595746115
Energy: 0.32845341193877925
Energy: 0.32279901136396627
Energy: 0.4013511716343956
Energy: 0.329944718428451
Energy: 0.3118748337620262
Energy: 0.3984325797649998
Energy: 0.3262125582094345
Energy: 0.42772317986450786
Energy: 0.358512687071305
Energy: 0.35841926028288423
Energy: 0.36137956325918996
Energy: 0.36074038953451837
Energy: 0.36561952141997794
Energy: 0.46920188280867425
Energy: 0.3372560078965718
Energy: 0.33455531647807074
Energy: 0.3602514920406992
Energy: 0.31933421382020605
Energy: 0.3966216628298941
Energy: 0.49942792709199585
Energy: 0.32221020900666
Energy: 0.33869233736494725
Energy: 0.400249223673121
Energy: 0.3417332460265913
Energy: 0.3641105802175237
Energy: 0.4592751853145348
Energy: 0.35883891294860065
Energy: 0.35835803782099196
Energy: 0.3956950639091754
Energy: 0.39659287892708506
Energy: 0.32433549849824467

minimum gb energy = 0.2924396053736538 eV
minimum distance =  2.7403844536806 Angstroms
sigma value = 81


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

Energy: 0.17048759068517108
Energy: 0.29204835541477264
Energy: 0.018522373531665255
Energy: 0.019535522073355495
Energy: 0.3271639043244499
Energy: 0.17065139245365846
Energy: 0.3311204214937118
Energy: 0.3112521107932539
Energy: 0.31069853262290315
Energy: 0.340816970640411
Energy: 0.31274217981935015
Energy: 0.31021183269855357
Energy: 0.32680464398343884
Energy: 0.018516874213415895
Energy: 0.018559286610584008
Energy: 0.33961006765135826
Energy: 0.018473179362930275
Energy: 0.040338606933237924
Energy: 0.32361244502884806
Energy: 0.018480721714461502
Energy: 0.018526519579596033
Energy: 0.32789088246979997
Energy: 0.018485457940692857
Energy: 0.03952106315030435
Energy: 0.039247564757339856
Energy: 0.34531301042194906
Energy: 0.3452241868970574
Energy: 0.03983434779093868
Energy: 0.34534634776612594
Energy: 0.34659561157407065
Energy: 0.01889053695202527
Energy: 0.3251429356032819
Energy: 0.018525897192695234
Energy: 0.019704823505434
Energy: 0.3250802910304374
Energy: 0.01845448216146591
Energy: 0.3429542696005546
Energy: 0.3252606182081777
Energy: 0.3251257407810201
Energy: 0.34723163562019954
Energy: 0.3249467624804513
Energy: 0.32508683901182567
Energy: 0.34228167492050043
Energy: 0.01846203863749552
Energy: 0.018439900474568897
Energy: 0.3474533952411328
Energy: 0.0183807808347493
Energy: 0.018498136982954914
Energy: 0.3090924415963094
Energy: 0.01856276661631672
Energy: 0.0405635368878165
Energy: 0.32067769349090747
Energy: 0.018481743045999692
Energy: 0.04032067087618538
Energy: 0.17074166688856557
Energy: 0.3319801755982768
Energy: 0.32988114173307254
Energy: 0.01860379778267987
Energy: 0.3299448452022082
Energy: 0.33025859677598846

minimum gb energy = 0.0183807808347493 eV
minimum distance =  2.79811586677777 Angstroms
sigma value = 3


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

Energy: 0.3838450522937674
Energy: 0.3710218417305642
Energy: 0.3773617710703166
Energy: 0.3560762189970986
Energy: 0.37149110814352954
Energy: 0.35746996548011595
Energy: 0.38648245393992914
Energy: 0.3750783542911043
Energy: 0.3740191655804408
Energy: 0.3745737330412833
Energy: 0.37676913015117625
Energy: 0.3778785302787024
Energy: 0.3888478892439213
Energy: 0.3611119636364706
Energy: 0.3612162486796725
Energy: 0.3748783414222977
Energy: 0.3582245073013878
Energy: 0.3711619352213343
Energy: 0.3662754787184213
Energy: 0.3614064894097429
Energy: 0.3611435262899582
Energy: 0.3633199505460904
Energy: 0.32661965813005106
Energy: 0.37101070117961465
Energy: 0.3328487696890178
Energy: 0.3771207105755557
Energy: 0.3785223922426971
Energy: 0.3331451631628308
Energy: 0.37626376502101877
Energy: 0.37853395615650476
Energy: 0.3588589923329966
Energy: 0.37592285475865667
Energy: 0.36838168081217776
Energy: 0.31118686618146835
Energy: 0.3758603768273134
Energy: 0.3495183994687221
Energy: 0.37659985743473257
Energy: 0.3398036672195537
Energy: 0.3390046220052441
Energy: 0.3761458604305775
Energy: 0.3418545986352993
Energy: 0.3765081447605842
Energy: 0.3628461107787144
Energy: 0.3557178256660397
Energy: 0.35580279198544035
Energy: 0.3628915954664694
Energy: 0.3395375854382217
Energy: 0.34277509358899316
Energy: 0.3742862819318271
Energy: 0.356443614624962
Energy: 0.3712279365397819
Energy: 0.3756549857556568
Energy: 0.3134434963677944
Energy: 0.3719416761219764
Energy: 0.34462624649453694
Energy: 0.3404731863360548
Energy: 0.3376345372730075
Energy: 0.34491751516428615
Energy: 0.34096792075275173
Energy: 0.3475951000925788
Energy: 0.35614093453365986
Energy: 0.3602928150159842
Energy: 0.36095526955143764
Energy: 0.30197428203625903
Energy: 0.36039610178391557
Energy: 0.3443437220617358
Energy: 0.3180704909305649
Energy: 0.3639466958322306
Energy: 0.36409403886828634
Energy: 0.3168150851274626
Energy: 0.36339869780765177
Energy: 0.3164236095570884
Energy: 0.3170546277870017
Energy: 0.3368279891944875
Energy: 0.34800663184267844
Energy: 0.3170725392652932
Energy: 0.2935126606555499
Energy: 0.3183448221676033
Energy: 0.35556142005212715
Energy: 0.3258507518791858
Energy: 0.3494480005690127
Energy: 0.3180289032591508
Energy: 0.30187812632891464
Energy: 0.3497314124189299
Energy: 0.35156441423726537
Energy: 0.3014340127614043
Energy: 0.3012806286620403
Energy: 0.3498137792565802
Energy: 0.3047981785700467
Energy: 0.3011859239288696
Energy: 0.3493416701658362
Energy: 0.3421406904216837
Energy: 0.3415460495125161
Energy: 0.3395468924642246
Energy: 0.3471484505412046
Energy: 0.34160815318243093
Energy: 0.29814656662201927
Energy: 0.3413768853966111
Energy: 0.34049165238206547
Energy: 0.29350097821657695
Energy: 0.3424096687492112
Energy: 0.29331259710953705
Energy: 0.29363152528825026
Energy: 0.3371703238570084
Energy: 0.33759212782034803
Energy: 0.2937446051117145
Energy: 0.29501900459614416
Energy: 0.33784516187751473
Energy: 0.34405006585612896
Energy: 0.31608253009510157
Energy: 0.33699641028403443
Energy: 0.31813368493151983
Energy: 0.31464387410437555
Energy: 0.3372170160014887
Energy: 0.34740271264302325
Energy: 0.2934089100709123
Energy: 0.2933391361269178
Energy: 0.3481937786366702
Energy: 0.297464247650755
Energy: 0.29332912679987644
Energy: 0.34725820868804
Energy: 0.33907062944724664
Energy: 0.3418015212848042
Energy: 0.34696558800532834
Energy: 0.35095103351883505
Energy: 0.3405300805414686
Energy: 0.3045044634304168
Energy: 0.3394685159563145
Energy: 0.3216342768404485
Energy: 0.3035345967328668
Energy: 0.34043476922663407
Energy: 0.3013441270501545
Energy: 0.3013050072556279
Energy: 0.3502147298241497
Energy: 0.3500100388606324
Energy: 0.3013108728773853
Energy: 0.33870739069107386
Energy: 0.3481765258255708
Energy: 0.3521996336106267
Energy: 0.317036349113725
Energy: 0.3366081339269994
Energy: 0.324841158053471
Energy: 0.3166255735126876
Energy: 0.3412412136228028
Energy: 0.36534870933111757
Energy: 0.3166962312837706
Energy: 0.31650618473640013
Energy: 0.36670142814526985
Energy: 0.3205905930600312
Energy: 0.31654512423827547
Energy: 0.36308200101753374
Energy: 0.35106965884810415
Energy: 0.3513427641921706
Energy: 0.3634096822360216
Energy: 0.33711835887763625
Energy: 0.3605668819416266
Energy: 0.3401946932574402
Energy: 0.35104981009903957
Energy: 0.35133302318160514
Energy: 0.34005166254421904
Energy: 0.3647327803329504
Energy: 0.33807303934607996
Energy: 0.3239521145819115
Energy: 0.332921660906518
Energy: 0.3810263058702694
Energy: 0.32406524783665397
Energy: 0.3343362048767695
Energy: 0.37587484202933913
Energy: 0.35899831681630423
Energy: 0.36323973953017935
Energy: 0.3577836515219491
Energy: 0.3053239282283926
Energy: 0.36315400469574627
Energy: 0.346976482447377
Energy: 0.33923572353409276
Energy: 0.37037080032524106
Energy: 0.3636376039144495
Energy: 0.33926222250883986
Energy: 0.36625484502743727
Energy: 0.37010797789067507
Energy: 0.3647343983281099
Energy: 0.35988801749924976
Energy: 0.35935574869271836
Energy: 0.3646275485715113
Energy: 0.32782805417396477
Energy: 0.3595181911758828
Energy: 0.38769310482505714
Energy: 0.3372029601363297
Energy: 0.37751691995942854
Energy: 0.3743626155644327
Energy: 0.31988402485164474
Energy: 0.39366238436063117
Energy: 0.3406678774803366
Energy: 0.3630530686152975
Energy: 0.3625384863604988
Energy: 0.34063294804841454
Energy: 0.3665511236256933
Energy: 0.3583279361088665

minimum gb energy = 0.29331259710953705 eV
minimum distance =  2.70601558899603 Angstroms
sigma value = 67


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

Energy: 0.4630801571205222
Energy: 0.45858642776477215
Energy: 0.4559747850209966
Energy: 0.3892163110242117
Energy: 0.45850792986167377
Energy: 0.4578347109656225
Energy: 0.47545442560497475
Energy: 0.45711189856843354
Energy: 0.45236908907284035
Energy: 0.45685874518643455
Energy: 0.45704765634832334
Energy: 0.4221035881262626
Energy: 0.46987386539414866
Energy: 0.44248454645407975
Energy: 0.4511545354312204
Energy: 0.45579647907997695
Energy: 0.4431764951174154
Energy: 0.450459226068913
Energy: 0.436913565073373
Energy: 0.4526680004391374
Energy: 0.4508196356780417
Energy: 0.437398305291165
Energy: 0.45061058328132775
Energy: 0.4520669636425915
Energy: 0.4312571959254774
Energy: 0.45698181497651286
Energy: 0.4203250287969875
Energy: 0.43154197069656447
Energy: 0.46185762042129624
Energy: 0.4221680403021954
Energy: 0.4367328994379138
Energy: 0.4520971123674747
Energy: 0.44491918755397014
Energy: 0.40187813059701344
Energy: 0.45205888419225054
Energy: 0.4436791167546335
Energy: 0.43943767390171107
Energy: 0.43869533576714237
Energy: 0.4020517559894739
Energy: 0.43971529522404085
Energy: 0.43740762913846765
Energy: 0.40483883620544564
Energy: 0.43871161987922835
Energy: 0.432132133308121
Energy: 0.43653470802784705
Energy: 0.43819490630689506
Energy: 0.3820881247439764
Energy: 0.43503119612775054
Energy: 0.4450191206362379
Energy: 0.4504173289964377
Energy: 0.45183057605477894
Energy: 0.44826538785669406
Energy: 0.4011303788228236
Energy: 0.4506603214705906
Energy: 0.44964551045750195
Energy: 0.4043195641040186
Energy: 0.4070837652691487
Energy: 0.44944222479725315
Energy: 0.4023369166622917
Energy: 0.4014179716210364
Energy: 0.44356876117111205
Energy: 0.43744621025355734
Energy: 0.4366391359916687
Energy: 0.3822537711673956
Energy: 0.43421255117579294
Energy: 0.4377392596155578
Energy: 0.38526135499684255
Energy: 0.4356831971503394
Energy: 0.4355348901258687
Energy: 0.38595364224270023
Energy: 0.40390220670272964
Energy: 0.38147391219739796
Energy: 0.38758023799087166
Energy: 0.43218030923693695
Energy: 0.43085804413560685
Energy: 0.38825691792061723
Energy: 0.3836742473028358
Energy: 0.3811018765985942
Energy: 0.43221055836235206
Energy: 0.4320864155162571
Energy: 0.4302920179985544
Energy: 0.38236596381635596
Energy: 0.41013106172066766
Energy: 0.4298698632104937
Energy: 0.43457824424240254
Energy: 0.38441858586564254
Energy: 0.3818020486778565
Energy: 0.43500266331178056
Energy: 0.3831204092176288
Energy: 0.381512487855671
Energy: 0.4348514044874078
Energy: 0.4384785402360218
Energy: 0.43656283249071315
Energy: 0.41403485136902973
Energy: 0.4158231154556123
Energy: 0.43469071725458014
Energy: 0.4055629248406859
Energy: 0.4318275530927647
Energy: 0.4291221095966614
Energy: 0.40613605494092814
Energy: 0.37772582260847987
Energy: 0.4009199267942081
Energy: 0.40549328139293134
Energy: 0.4492021131432645
Energy: 0.45034087658781613
Energy: 0.40096380360253026
Energy: 0.4038201187934085
Energy: 0.40196553730313966
Energy: 0.43234655403382366
Energy: 0.44621825532016657
Energy: 0.4403140140044062
Energy: 0.38865682849432526
Energy: 0.44618248374192077
Energy: 0.43988466610860144
Energy: 0.4000298139027299
Energy: 0.4365422340084586
Energy: 0.4053235171352424
Energy: 0.4424192755959861
Energy: 0.4362037941071797
Energy: 0.4052935663586065
Energy: 0.43682598330804057
Energy: 0.44228342655420005
Energy: 0.4522829775640162
Energy: 0.4374475546938289
Energy: 0.43785121821149015
Energy: 0.45412099123901234
Energy: 0.4693520077165667
Energy: 0.43620453083855
Energy: 0.3884118973304093
Energy: 0.45514457414479825
Energy: 0.43577171288191763
Energy: 0.4524311003728064
Energy: 0.4466367802988528
Energy: 0.43812255082385104
Energy: 0.44082910273352344
Energy: 0.4468181793601322
Energy: 0.43648517543729576
Energy: 0.4043623876363329

minimum gb energy = 0.37772582260847987 eV
minimum distance =  2.69169008936648 Angstroms
sigma value = 33


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

Energy: 0.5396087439768584
Energy: 0.5263247376663245
Energy: 0.5387615337870999
Energy: 0.510194897786485
Energy: 0.5263212196299252
Energy: 0.5172085367619627
Energy: 0.5455691640981944
Energy: 0.4822364826886705
Energy: 0.4815413135902461
Energy: 0.4798097535351044
Energy: 0.4817999552861875
Energy: 0.44787844219245326
Energy: 0.537660592880331
Energy: 0.4473498068546386
Energy: 0.480569128915219
Energy: 0.48560622874843706
Energy: 0.48055843600773085
Energy: 0.4781275000377554
Energy: 0.48117706701581137
Energy: 0.500006104425875
Energy: 0.4792895042487457
Energy: 0.4811343688872743
Energy: 0.4453657168980417
Energy: 0.47824657253595726
Energy: 0.4810043186034004
Energy: 0.4812501884682916
Energy: 0.44702424906339394
Energy: 0.4810898639465935
Energy: 0.4811674072469124
Energy: 0.44840695033526307
Energy: 0.48087529250887234
Energy: 0.44488494252346594
Energy: 0.4445229073600381
Energy: 0.44481536156620927
Energy: 0.44385348059764074
Energy: 0.44584128175013427
Energy: 0.48080949578858995
Energy: 0.44344435631166274
Energy: 0.44363767484164907
Energy: 0.4810430598615515
Energy: 0.4436196768107742
Energy: 0.44749153352738275
Energy: 0.4818489925676614
Energy: 0.44186758821312927
Energy: 0.45180554242711607
Energy: 0.481930119497779
Energy: 0.4451671185126485
Energy: 0.448237085692783
Energy: 0.47083479555656144
Energy: 0.4516502537660159
Energy: 0.5068396391956217
Energy: 0.4484577885720125
Energy: 0.44314185571471326
Energy: 0.5044877062197475
Energy: 0.49819452347716453
Energy: 0.4460684777673701
Energy: 0.44255433505574143
Energy: 0.47011820872654475
Energy: 0.4433021787529229
Energy: 0.44277427746238246
Energy: 0.47028141410991653
Energy: 0.44394422312184106
Energy: 0.49418513123419827
Energy: 0.4443234883816946
Energy: 0.4706007681732096
Energy: 0.4937592758632134
Energy: 0.44192357861916304
Energy: 0.44350900946223343
Energy: 0.44376339924477715
Energy: 0.44201544675219534
Energy: 0.45270482263144873
Energy: 0.44241549659526497
Energy: 0.44208528733816427
Energy: 0.44800184069480947
Energy: 0.5047672374592173
Energy: 0.4422287211125467
Energy: 0.4483217489946567
Energy: 0.4424924104699413
Energy: 0.43046255955536333
Energy: 0.4465920613076631
Energy: 0.4480724982649485
Energy: 0.4327519123602248
Energy: 0.4718761417886322
Energy: 0.4916285320836653
Energy: 0.43147449436149293
Energy: 0.4845986541150092
Energy: 0.4498111426684869
Energy: 0.4314060203083696
Energy: 0.48263108329934834
Energy: 0.44815646225514244
Energy: 0.44816813234423736
Energy: 0.4303014689551241
Energy: 0.43029292581828193
Energy: 0.44839888197350247
Energy: 0.4519929918187382
Energy: 0.44692935733266353
Energy: 0.5663502581876679
Energy: 0.4520107535757259
Energy: 0.472256271871775
Energy: 0.5669776682940872
Energy: 0.4551728389291603
Energy: 0.43121237992695816
Energy: 0.5487968025503382
Energy: 0.48480594944579714
Energy: 0.48329752832555983
Energy: 0.4796603786216572
Energy: 0.4840775398517341
Energy: 0.5214781601314807
Energy: 0.5061358027460846
Energy: 0.4840390190312527
Energy: 0.5215595763123796
Energy: 0.4558431105759258
Energy: 0.4838986714945101
Energy: 0.4293545869067301
Energy: 0.5045125746549868
Energy: 0.4811736414167324
Energy: 0.4811831081685037
Energy: 0.5050043161857325
Energy: 0.4817393686560305
Energy: 0.4484679023035694
Energy: 0.5379217180657752
Energy: 0.46319524068650747
Energy: 0.446723161274859
Energy: 0.48616625732722135
Energy: 0.4418594962364109
Energy: 0.4448220242653185
Energy: 0.4853392672518703
Energy: 0.44773565791257314
Energy: 0.4818056597884685
Energy: 0.4851929426417025
Energy: 0.4471644438891504
Energy: 0.4421759870183278
Energy: 0.48094934126097416
Energy: 0.48159776576223406
Energy: 0.44736214790905987
Energy: 0.4811300441672703
Energy: 0.4814948512423741
Energy: 0.4481629895346572
Energy: 0.48070242066133023
Energy: 0.44290166109145107
Energy: 0.4436901518565466
Energy: 0.4428528471202436
Energy: 0.4428660391258336
Energy: 0.4451111486391965
Energy: 0.48077668779549854
Energy: 0.4437350899396051
Energy: 0.4439254962548627
Energy: 0.48094170596867186
Energy: 0.4438745881668693
Energy: 0.4423645002985974
Energy: 0.48564470242639407
Energy: 0.44200536021121556
Energy: 0.4468469107089153
Energy: 0.48630091502056105
Energy: 0.4447682309131923
Energy: 0.4487747325017536
Energy: 0.47047719483236045
Energy: 0.4431214720311792
Energy: 0.5076495308101372
Energy: 0.4705578468266268
Energy: 0.4439234876780498
Energy: 0.5048478992753793
Energy: 0.47008236742864656
Energy: 0.442784126935184
Energy: 0.4426216707298832
Energy: 0.47019483076897667
Energy: 0.44362963528295746
Energy: 0.44264802777495815
Energy: 0.4689247510315798
Energy: 0.47067674680783617
Energy: 0.4673700210611633
Energy: 0.44499240197140877
Energy: 0.471901159218467
Energy: 0.49474322154401024
Energy: 0.4419560744641969
Energy: 0.4428343064952469
Energy: 0.4445912884328397
Energy: 0.4420998414481055
Energy: 0.45367672180849383
Energy: 0.4424383098609535
Energy: 0.4452758708248579
Energy: 0.44847499392015144
Energy: 0.4425561265387706
Energy: 0.44604708022595446
Energy: 0.4482286346223039
Energy: 0.442514566278405
Energy: 0.43043070910753584
Energy: 0.446973206427472
Energy: 0.4479394616258142
Energy: 0.43269253121212564
Energy: 0.4701121309095326
Energy: 0.49256580710587233
Energy: 0.4321791904485716
Energy: 0.48517664775952946
Energy: 0.4487721655606678
Energy: 0.43449175473008717
Energy: 0.4836878968016545
Energy: 0.44887167363274466
Energy: 0.4483960675892572
Energy: 0.4944432103090766
Energy: 0.4495099726920786
Energy: 0.44836180550272414
Energy: 0.4520166324877073
Energy: 0.44726631697587105
Energy: 0.5676626616032969
Energy: 0.452541418996702
Energy: 0.4328721342937133
Energy: 0.5677440910413137
Energy: 0.4335613630921225
Energy: 0.4308796254390326
Energy: 0.547595963324933
Energy: 0.4810654511006355
Energy: 0.4810167533227152
Energy: 0.48002977598810387
Energy: 0.4843935221959856
Energy: 0.4482558648774218
Energy: 0.5059421790404163
Energy: 0.48524553713201407
Energy: 0.5195986127952812
Energy: 0.45414771994391534
Energy: 0.484391173188226
Energy: 0.42980503233004064

minimum gb energy = 0.4293545869067301 eV
minimum distance =  2.70194211545152 Angstroms
sigma value = 41


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

Energy: 0.5874843810664391
Energy: 0.5452914689127026
Energy: 0.5892931773488473
Energy: 0.5159055337965154
Energy: 0.5452534399692376
Energy: 0.5899132006949878
Energy: 0.6284315487565197
Energy: 0.5484272261445009
Energy: 0.5486940797133605
Energy: 0.5465647108447227
Energy: 0.5480791447305668
Energy: 0.5275565449888237
Energy: 0.620349407723451
Energy: 0.5166471839112178
Energy: 0.5149888881233726
Energy: 0.6206221989989261
Energy: 0.5373568078779913
Energy: 0.5451909424534808
Energy: 0.5491577329657984
Energy: 0.5165083848310296
Energy: 0.5154979524346714
Energy: 0.5494622934279058
Energy: 0.517570608261563
Energy: 0.5373433037888197
Energy: 0.5365698025113805
Energy: 0.5484910654106745
Energy: 0.5494198993148619
Energy: 0.5366594884685613
Energy: 0.5479754746401314
Energy: 0.5280377031424912
Energy: 0.5527197190539767
Energy: 0.5704158805705077
Energy: 0.526574875323126
Energy: 0.5185645239293877
Energy: 0.5685779375282088
Energy: 0.5160898411494961
Energy: 0.5359859289060203
Energy: 0.5269998334769099
Energy: 0.5257331787459029
Energy: 0.5359909505148852
Energy: 0.5178098234872716
Energy: 0.5181760146175579
Energy: 0.5380108188187981
Energy: 0.516724704760858
Energy: 0.5168994902247342
Energy: 0.5387787497490535
Energy: 0.5187786122282793
Energy: 0.5365720816528493
Energy: 0.578412805823977
Energy: 0.5170233577065285
Energy: 0.5163003592675726
Energy: 0.5808122172245368
Energy: 0.5550756459794224
Energy: 0.5161322354820611
Energy: 0.552277943036966
Energy: 0.5397586062201619
Energy: 0.5360768745217397
Energy: 0.5451955899470654
Energy: 0.5367658994295245
Energy: 0.5160137096795958
Energy: 0.5462034115890071
Energy: 0.5377954215867032
Energy: 0.5188646246788725
Energy: 0.5171043260758641
Energy: 0.5062525228843189
Energy: 0.5181985046848337
Energy: 0.6172717434369778
Energy: 0.5061542220873831
Energy: 0.5063731086005994
Energy: 0.6176606824317401
Energy: 0.506122770505478
Energy: 0.5477030484987198
Energy: 0.6342094568303398
Energy: 0.5374604252968479
Energy: 0.5466750444319322
Energy: 0.5466823456682492
Energy: 0.5390377774890779
Energy: 0.5275769179791339
Energy: 0.5107538429329053
Energy: 0.5459595472977089
Energy: 0.5069307446254057
Energy: 0.5090548026591623
Energy: 0.5457557797887872
Energy: 0.5067973020985707

minimum gb energy = 0.506122770505478 eV
minimum distance =  2.70937009029762 Angstroms
sigma value = 11


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

Energy: 0.636545194405718
Energy: 0.6313483705405156
Energy: 0.6313492209896941
Energy: 0.6299616320501449
Energy: 0.6297845474766018
Energy: 0.610833914031026
Energy: 0.7066315236462801
Energy: 0.6002979623071865
Energy: 0.6003527510710689
Energy: 0.6319841970714086
Energy: 0.6007444712098874
Energy: 0.5992336044155068
Energy: 0.724974811243425
Energy: 0.6094973455544801
Energy: 0.6095344107135537
Energy: 0.7256679323002987
Energy: 0.5945490861784583
Energy: 0.6100063021138822
Energy: 0.6225257348438643
Energy: 0.5938636266297174
Energy: 0.6112052105314353
Energy: 0.6128134840211479
Energy: 0.5996143990479156
Energy: 0.610879966289351
Energy: 0.6307758305272106
Energy: 0.6002304467080299
Energy: 0.6001274723488205
Energy: 0.6087807690666444
Energy: 0.6002809349472711
Energy: 0.6029416385184384
Energy: 0.6301572548563791
Energy: 0.6123324404451369
Energy: 0.599722060025812
Energy: 0.6014593025732193
Energy: 0.6124044926430183
Energy: 0.6127685446556753
Energy: 0.6125498228526757
Energy: 0.6136134207693043
Energy: 0.6137537629781319
Energy: 0.6126074864573625
Energy: 0.6110443314557994
Energy: 0.6084903275711706
Energy: 0.6152099307313669
Energy: 0.6076369321373816
Energy: 0.6037244081324838
Energy: 0.601012652526507
Energy: 0.6305228662638714
Energy: 0.6005130530229325
Energy: 0.6112795441423818
Energy: 0.6202548662095186
Energy: 0.6103062654123522
Energy: 0.5949753201836611
Energy: 0.6039107866639919
Energy: 0.5977849140219013
Energy: 0.6104414090267077
Energy: 0.6198263761140258
Energy: 0.6113203130704682
Energy: 0.5957965018614764
Energy: 0.6083326368523214
Energy: 0.5966731274967345
Energy: 0.6122821230014951
Energy: 0.605322633806062
Energy: 0.6005288206568402
Energy: 0.6005258282824438
Energy: 0.6070892018787764
Energy: 0.6002859903279251
Energy: 0.6024511312473454
Energy: 0.6117751786706302
Energy: 0.6117903882214064
Energy: 0.602649984480102
Energy: 0.6154256615972782
Energy: 0.6198347205205118
Energy: 0.6000644256397917
Energy: 0.6113770601564096
Energy: 0.6054475662833673
Energy: 0.6000719866816417
Energy: 0.6330449673505706
Energy: 0.599449444560116
Energy: 0.6115115487071107
Energy: 0.6406974296689988
Energy: 0.6142666615385504
Energy: 0.5979809740655309
Energy: 0.6125451163329582
Energy: 0.6136531543892951
Energy: 0.5945073566800341
Energy: 0.6052924613172342
Energy: 0.6319884638848031
Energy: 0.5947069396154829
Energy: 0.6062575569919525
Energy: 0.5947031312159757
Energy: 0.5949130482621483
Energy: 0.6053523756372767
Energy: 0.5948920761978707
Energy: 0.5957935967418886
Energy: 0.6066233589171965
Energy: 0.5946014012754871
Energy: 0.5943070027828812
Energy: 0.6132390527430377
Energy: 0.6274974304089809
Energy: 0.5944876247398291
Energy: 0.6087704007261919
Energy: 0.598682784995138
Energy: 0.6122795661569512
Energy: 0.6146220581387862
Energy: 0.6357062764239418
Energy: 0.6076117818787656
Energy: 0.6558698674366666
Energy: 0.6131592809315569
Energy: 0.6072990873165105
Energy: 0.6022575719532863
Energy: 0.60202609234919
Energy: 0.6074649974624311
Energy: 0.6086683755348621
Energy: 0.6157954077992289
Energy: 0.6221701918002933
Energy: 0.5978898210743026
Energy: 0.5961490766259178
Energy: 0.6074530782585544
Energy: 0.5958700566138464
Energy: 0.6110637206422199
Energy: 0.6586173748665117
Energy: 0.5954144496088059
Energy: 0.5966735671748084
Energy: 0.6076400782450034
Energy: 0.6105166428774597
Energy: 0.6034900492552375
Energy: 0.6083304288307562
Energy: 0.6018176904475974
Energy: 0.6013429689532962
Energy: 0.598863811256161
Energy: 0.6056799335588184
Energy: 0.6009424254451348
Energy: 0.6174032461408319
Energy: 0.6175515672448875
Energy: 0.6139247188725313
Energy: 0.5968153488637589
Energy: 0.6077615629610652
Energy: 0.6139141339405898
Energy: 0.6421135226774742
Energy: 0.6075545375915661
Energy: 0.6145417315796718
Energy: 0.6086173218095615
Energy: 0.6079112739756752
Energy: 0.6019136810378078
Energy: 0.654349481658264
Energy: 0.6127122861905271
Energy: 0.6129745178487991
Energy: 0.6551497282819143
Energy: 0.6031895358703298
Energy: 0.6097602657923765
Energy: 0.633165488027423
Energy: 0.5984030451847425
Energy: 0.5995193230859908
Energy: 0.6090131141664963
Energy: 0.5947208817475899
Energy: 0.5947530907115235
Energy: 0.6577106047026455
Energy: 0.5942455046749054
Energy: 0.5945652738926047
Energy: 0.606517012540319
Energy: 0.596092179730793
Energy: 0.5946909075659983
Energy: 0.6331289940013526
Energy: 0.6052118413269417
Energy: 0.5953706472421604
Energy: 0.6127436537288634
Energy: 0.5946762787076457
Energy: 0.6312804145407357
Energy: 0.6435581411859992
Energy: 0.6104434596272595
Energy: 0.6110107734127282
Energy: 0.6254035708315965
Energy: 0.6055609185829575
Energy: 0.5959518425223364
Energy: 0.705912294289122
Energy: 0.599928555641537
Energy: 0.6010109915333162
Energy: 0.6346825496171815
Energy: 0.5999319832033474
Energy: 0.6192190039182164
Energy: 0.6276485852889232
Energy: 0.6041775958279346
Energy: 0.6104162635092627
Energy: 0.598824772699733
Energy: 0.6034785955685501
Energy: 0.6118826677161022

minimum gb energy = 0.5938636266297174 eV
minimum distance =  2.70798024166128 Angstroms
sigma value = 57


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

Energy: 0.8698702395496521
Energy: 0.6109309396499543
Energy: 0.6926371549437831
Energy: 0.6900329790529934
Energy: 0.9148664969756235
Energy: 0.6913860574214432
Energy: 0.6708440597353533
Energy: 0.5962187234000798
Energy: 0.5974236292956598
Energy: 0.6151903217609882
Energy: 0.6119297438182506
Energy: 0.5971847964638082
Energy: 0.6452998504062016
Energy: 0.6291134557561322
Energy: 0.6064622359657373
Energy: 0.6430924967385894
Energy: 0.6075655343001864
Energy: 0.612048990338248
Energy: 0.6072457525762134
Energy: 0.5970356464715482
Energy: 0.5961150525922708
Energy: 0.6077922256550095
Energy: 0.607515168419089
Energy: 0.5963151657656469
Energy: 0.6115717056681103
Energy: 0.6101088123011009
Energy: 0.598540115895792
Energy: 0.6127439883677045
Energy: 0.6086557659503029
Energy: 0.5963225368491205
Energy: 0.6091895464731018
Energy: 0.6436617694606367
Energy: 0.6109839188339669
Energy: 0.6126145409625146
Energy: 0.6437142770122425
Energy: 0.6113201909308772
Energy: 0.6427296049810405
Energy: 0.627672646324929
Energy: 0.6315884219972139
Energy: 0.6435548857360399
Energy: 0.6242673362469146
Energy: 0.6120250308323997
Energy: 0.6724325595704229
Energy: 0.6103088875787195
Energy: 0.5978828712809996
Energy: 0.6105883417318498
Energy: 0.6092127962974805
Energy: 0.5965301463425486
Energy: 0.6159186193271307
Energy: 0.6089603611602253
Energy: 0.6272632874499723
Energy: 0.583982853745596
Energy: 0.6068688473117994
Energy: 0.5843608102089766
Energy: 0.61673279555824
Energy: 0.6082057802044958
Energy: 0.6276977413599363
Energy: 0.5865714854370623
Energy: 0.6427537709456485
Energy: 0.5845166465983371
Energy: 0.671981659469044
Energy: 0.6107372007906814
Energy: 0.5988717898357793
Energy: 0.6105587018042142
Energy: 0.6154362321488986
Energy: 0.5966824775551641
Energy: 0.6362332085537914
Energy: 0.6261328080558483
Energy: 0.6076518133554618
Energy: 0.6367532573977505
Energy: 0.6302868764304391
Energy: 0.6103267924056668
Energy: 0.6133247491294006
Energy: 0.5963178010019438
Energy: 0.5969037781171488
Energy: 0.6133946797189379
Energy: 0.610573377524494
Energy: 0.5962264221418294
Energy: 0.6078822979415119
Energy: 0.6446913426565759
Energy: 0.6078775339824077
Energy: 0.6145716087331163
Energy: 0.6433577376601514
Energy: 0.6084581319597562
Energy: 0.6128749273715539
Energy: 0.6255973047368562
Energy: 0.5974866016538015
Energy: 0.6092897676224254
Energy: 0.6250757500215502
Energy: 0.596482486195088
Energy: 0.6471593134783314
Energy: 0.6259457514322275
Energy: 0.5855803919525441
Energy: 0.6434087689504926
Energy: 0.6253347269105165
Energy: 0.6117388117162759
Energy: 0.5842651223933395
Energy: 0.5963250009315862
Energy: 0.5978650322821627
Energy: 0.5843622235242896
Energy: 0.6118183569375018
Energy: 0.5969120572938407

minimum gb energy = 0.583982853745596 eV
minimum distance =  2.70662635000306 Angstroms
sigma value = 9


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

Energy: 1.0536386606649029
Energy: 0.6746801175332363
Energy: 0.6403733831399616
Energy: 0.6301343222221886
Energy: 0.6531124904833172
Energy: 0.7139647938102034
Energy: 0.7012588519961291
Energy: 0.6546900001339255
Energy: 0.6415261605335189
Energy: 0.6393433177222451
Energy: 0.640883886196501
Energy: 0.6427825974094135
Energy: 0.6404594847639229
Energy: 0.6404619125568499
Energy: 0.619225599197816
Energy: 0.6411056618767802
Energy: 0.6394027668525099
Energy: 0.6198140569289294
Energy: 0.6336296517600688
Energy: 0.6400459642794089
Energy: 0.6563727826098749
Energy: 0.6340074759765387
Energy: 0.6390375999869157
Energy: 0.641383437294682
Energy: 0.6740248122869811
Energy: 0.6185279776279146
Energy: 0.6202451694293779
Energy: 0.615646556469676
Energy: 0.6422361388436849
Energy: 0.6161154063417704
Energy: 0.6482404212223756
Energy: 0.6484898021343218
Energy: 0.647263203372696
Energy: 0.6488223547032962
Energy: 0.6437215574047258
Energy: 0.6470835088134067
Energy: 0.6278532600549098
Energy: 0.6465852780611479
Energy: 0.6287260721868615
Energy: 0.6284203568657651
Energy: 0.6490199642767988
Energy: 0.6356324977367521
Energy: 0.6512105582537738
Energy: 0.6449621435316694
Energy: 0.6354769399357955
Energy: 0.6299718539020943
Energy: 0.6458427577884187
Energy: 0.6499188948412943
Energy: 0.6695808161705874
Energy: 0.6312961104560402
Energy: 0.620375492087232
Energy: 0.6520624763857837
Energy: 0.6390475862544794
Energy: 0.6428803528187953
Energy: 0.6547808287121227
Energy: 0.631661125668799
Energy: 0.6210721754917495
Energy: 0.6521361182564901
Energy: 0.6292674878115876
Energy: 0.6159297767360737
Energy: 0.6511902201688565
Energy: 0.6342952512621882
Energy: 0.6161883141105162
Energy: 0.637393673612032
Energy: 0.6497688184993288
Energy: 0.6158839023139476
Energy: 0.6513021056472753
Energy: 0.6411426753734978
Energy: 0.6422513128008848
Energy: 0.6411089680964235
Energy: 0.6402194060819781
Energy: 0.6427054211195029
Energy: 0.673751477612871
Energy: 0.63874993316587
Energy: 0.6423605796280949
Energy: 0.6558716981948113
Energy: 0.6362255046899826
Energy: 0.6468850471623921
Energy: 0.6568891498911278
Energy: 0.6397613817210036
Energy: 0.6404985849469697
Energy: 0.6298691914777714
Energy: 0.6163042528270892
Energy: 0.6417536296755258
Energy: 0.6510786733318293
Energy: 0.6152086793346556
Energy: 0.6159982329313857
Energy: 0.6517290668903233
Energy: 0.6158671203416889
Energy: 0.6153040505468905
Energy: 0.6408036932421224
Energy: 0.6422393161627079
Energy: 0.6148234081034212
Energy: 0.6413423186133154
Energy: 0.6394355474280439
Energy: 0.6204496111746346
Energy: 0.6480146598956243
Energy: 0.6401206102173302
Energy: 0.6559094589313287
Energy: 0.6480444806500798
Energy: 0.6395848442850358
Energy: 0.6410806079425244
Energy: 0.7430421015556025
Energy: 0.6280710434707947
Energy: 0.6165619836149657
Energy: 0.6182775799498761
Energy: 0.6433003579534585
Energy: 0.6165776478176715
Energy: 0.6408340938648882
Energy: 0.6426205909009061
Energy: 0.6421520514961879
Energy: 0.64100046321739
Energy: 0.6305817900032235
Energy: 0.6424617523839775
Energy: 0.6406579109435747
Energy: 0.6424171205292747
Energy: 0.6412076268428297
Energy: 0.6410783348602027
Energy: 0.6521343966026321
Energy: 0.6418864848672295
Energy: 0.6443095020083144
Energy: 0.6454585574565809
Energy: 0.628817513992722
Energy: 0.6455302857824066
Energy: 0.6436492856632756
Energy: 0.6155502869080262

minimum gb energy = 0.6148234081034212 eV
minimum distance =  2.70801528291901 Angstroms
sigma value = 27


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

Energy: 0.8513142122367789
Energy: 0.7185477622790531
Energy: 0.6492589850213555
Energy: 0.6202743755622161
Energy: 0.6166984413538031
Energy: 0.6510541853341537
Energy: 0.747932152365238
Energy: 0.6215483138971534
Energy: 0.6214098470002868
Energy: 0.657674068505708
Energy: 0.6279510664144627
Energy: 0.6156895131863448
Energy: 0.6483740202495956
Energy: 0.6130581890595486
Energy: 0.613009292972562
Energy: 0.621106546756856
Energy: 0.6526157750572065
Energy: 0.6478728673891835
Energy: 0.6605859707610919
Energy: 0.6642550446682853
Energy: 0.6216274204765682
Energy: 0.6521115901784676
Energy: 0.6659356646398651
Energy: 0.6224725430489765
Energy: 0.662973903033377
Energy: 0.6281639113337649
Energy: 0.6280530347857707
Energy: 0.6205757734876741
Energy: 0.626446227644652
Energy: 0.6265734795520438
Energy: 0.6829030753301012
Energy: 0.6637559264512186
Energy: 0.6240318582550867
Energy: 0.6545850164860701
Energy: 0.6659104816405147
Energy: 0.6259614836807961
Energy: 0.623651993356667
Energy: 0.6157770550122684
Energy: 0.6169517557752702
Energy: 0.613007134286625
Energy: 0.6129921868895274
Energy: 0.6135152784382656
Energy: 0.6612151283133108
Energy: 0.6475142900967805
Energy: 0.6692254324134445
Energy: 0.6617093833529045
Energy: 0.6570039597211416
Energy: 0.6756612699510394
Energy: 0.6594353577096169
Energy: 0.6204992373693942
Energy: 0.5892894835385358
Energy: 0.630621707134507
Energy: 0.6205609727159914
Energy: 0.5839224827914372
Energy: 0.6446408311501176
Energy: 0.5885639472199736
Energy: 0.5913320372018239
Energy: 0.6263181646612465
Energy: 0.5970692841358722
Energy: 0.5909298380342796
Energy: 0.6604183916694133
Energy: 0.6198528014546829
Energy: 0.6167494297736755
Energy: 0.6608615122162166
Energy: 0.6205292546843105
Energy: 0.6141400795307786
Energy: 0.5877468654938008
Energy: 0.582546572401472
Energy: 0.5789623455312967
Energy: 0.5886150434805192
Energy: 0.580448940536055
Energy: 0.5867492208161793
Energy: 0.6313108458180199
Energy: 0.5850036729673233
Energy: 0.586660659263522
Energy: 0.5987966700928736
Energy: 0.5831405033217358
Energy: 0.5990790198801955
Energy: 0.6277824384291799
Energy: 0.5847749887078819
Energy: 0.5884524705689861
Energy: 0.6003771448152955
Energy: 0.5832114839474389
Energy: 0.5866053682558678
Energy: 0.5870367680038003
Energy: 0.5796173097048819
Energy: 0.5826271733070297
Energy: 0.5874785248623162
Energy: 0.5843579267228154
Energy: 0.5827115019401372
Energy: 0.648321036593637
Energy: 0.5965784689237769
Energy: 0.5909614323204884
Energy: 0.6127131139141415
Energy: 0.5964974072275085
Energy: 0.5908374078212456
Energy: 0.6409278164114747
Energy: 0.6111613243175615
Energy: 0.6100239459977799
Energy: 0.6239546315479402
Energy: 0.6169464535345226
Energy: 0.6103708559342185
Energy: 0.6924021194448041
Energy: 0.592263436571357
Energy: 0.5911012159044186
Energy: 0.6295322178780333
Energy: 0.62562997791403
Energy: 0.6254890206232012
Energy: 0.6548297499803315
Energy: 0.6141588971976806
Energy: 0.6137364773799003
Energy: 0.6556069033089567
Energy: 0.6138173205883725
Energy: 0.6072043586743481
Energy: 0.625383304144188
Energy: 0.6141179594055666
Energy: 0.6140153365486621
Energy: 0.6257961745946063
Energy: 0.6139903853188148
Energy: 0.6074311162612662
Energy: 0.6736274485321108
Energy: 0.6581548724748215
Energy: 0.6265431316590014
Energy: 0.6241351952993438
Energy: 0.656415089294755
Energy: 0.6256473982360783
Energy: 0.6573702763336233
Energy: 0.6678108503508909
Energy: 0.6674850702834157
Energy: 0.6560758780081897
Energy: 0.6682869672890425
Energy: 0.6638352256021399
Energy: 0.6742301651146599
Energy: 0.6145367634572764
Energy: 0.6652157142166424
Energy: 0.6533654011239418
Energy: 0.6336480164020899
Energy: 0.6664633713578083
Energy: 0.6250065975432533
Energy: 0.5801337710779509
Energy: 0.6687727644318315
Energy: 0.6168125619667123
Energy: 0.5845566579394293
Energy: 0.6134375371130747
Energy: 0.6856346811353723
Energy: 0.6817175789895042
Energy: 0.6847785259742281
Energy: 0.6203626679541238
Energy: 0.679531359728758
Energy: 0.6138454032465536

minimum gb energy = 0.5789623455312967 eV
minimum distance =  2.70273468095564 Angstroms
sigma value = 19


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

Energy: 0.6623806954598429
Energy: 0.6079172561327988
Energy: 0.6034006054514949
Energy: 0.6178737070012144
Energy: 0.6165178431224407
Energy: 0.6015597486782619
Energy: 0.633562480149575
Energy: 0.6131185823076126
Energy: 0.6131351284131408
Energy: 0.6139091008934557
Energy: 0.615546340925768
Energy: 0.6143123944141838
Energy: 0.6336014063550898
Energy: 0.6075880776956546
Energy: 0.607379530499481
Energy: 0.6185178733150788
Energy: 0.6076498575243117
Energy: 0.6074439595550075
Energy: 0.6338744448434132
Energy: 0.6077361578836099
Energy: 0.6080161860229164
Energy: 0.6151518099737698
Energy: 0.6172770944876153
Energy: 0.608312923257873
Energy: 0.6480100065608695
Energy: 0.6186796110116538
Energy: 0.6103795151488286
Energy: 0.618373417984806
Energy: 0.6305050046432183
Energy: 0.6078943062484963
Energy: 0.6342501886583962
Energy: 0.6143570114849014
Energy: 0.6412032679057863
Energy: 0.6152181368404027
Energy: 0.6102289563223426
Energy: 0.6137270961002278
Energy: 0.6461026325938882
Energy: 0.6051679175577315
Energy: 0.6177210297257313
Energy: 0.6315208186689331
Energy: 0.6046244569788083
Energy: 0.619406210728765
Energy: 0.6342934763774891
Energy: 0.60502447349993
Energy: 0.6141991404734815
Energy: 0.6126220862105175
Energy: 0.604895555577666
Energy: 0.6134643099575641
Energy: 0.6389656079539058
Energy: 0.6140993554300986
Energy: 0.607703035681839
Energy: 0.6069673275822072
Energy: 0.6143083322459072
Energy: 0.6177514007708476
Energy: 0.6392525808050225
Energy: 0.6275578976979496
Energy: 0.628542538789692
Energy: 0.6074514670010932
Energy: 0.627443998771867
Energy: 0.6243432823173283
Energy: 0.6337112063196627
Energy: 0.593222071433081
Energy: 0.5933350125922195
Energy: 0.630585385918522
Energy: 0.5932562269201392
Energy: 0.5943955251256006
Energy: 0.6277484677967556
Energy: 0.6398560351938342
Energy: 0.5893848878002634
Energy: 0.602014599992159
Energy: 0.6307568383332074
Energy: 0.5894416103707703
Energy: 0.6495825678164664
Energy: 0.6260561711412326
Energy: 0.6199718059047369
Energy: 0.6043896409326021
Energy: 0.6261020449761683
Energy: 0.6182302996152853
Energy: 0.6498055350949757
Energy: 0.6269194589130782
Energy: 0.6184048991347538
Energy: 0.5882004575174943
Energy: 0.6252325508309299
Energy: 0.6233871387761438
Energy: 0.6275625703258796
Energy: 0.5907803975489335
Energy: 0.5900064953378029
Energy: 0.602328250518375
Energy: 0.5901774220561652
Energy: 0.5893376431142041
Energy: 0.6280973433295066
Energy: 0.6228982814355293
Energy: 0.5893381622649976
Energy: 0.6032176665734644
Energy: 0.5891980672237803
Energy: 0.5920991872889835
Energy: 0.640348633452962
Energy: 0.6273605885419847
Energy: 0.6202896527886372
Energy: 0.6126491638513085
Energy: 0.6283472721991028
Energy: 0.6206840047736271
Energy: 0.6415326100383588
Energy: 0.5985377165902256
Energy: 0.5976799378918576
Energy: 0.6286930842555157
Energy: 0.6027905746171287
Energy: 0.592016263607894
Energy: 0.6414673032713567
Energy: 0.6077532633320193
Energy: 0.5924672275611393
Energy: 0.6205206216736753
Energy: 0.6079768966516489
Energy: 0.6058180055173246
Energy: 0.6291212079885661
Energy: 0.6039199072943996
Energy: 0.5933320038851545
Energy: 0.6090699454217849
Energy: 0.6226732113233396
Energy: 0.6057778764434534
Energy: 0.6289449219227023
Energy: 0.5974673896122616
Energy: 0.591950655574926
Energy: 0.6151725440205125
Energy: 0.603076063808172
Energy: 0.5892587651773307
Energy: 0.6272406660129385
Energy: 0.593309817475947
Energy: 0.5893867977185289
Energy: 0.5895098335245194
Energy: 0.6033713548173797
Energy: 0.5892304991586632
Energy: 0.6390320681243734
Energy: 0.6193120414313525
Energy: 0.6193333439484878
Energy: 0.6372001887417524
Energy: 0.6250462043704569
Energy: 0.6165845293506292
Energy: 0.6421266665057508
Energy: 0.5848739517048588
Energy: 0.6021388530086755
Energy: 0.6345508007286953
Energy: 0.5846951228808689
Energy: 0.6022812672290142
Energy: 0.6496165371064028
Energy: 0.5941176618890313
Energy: 0.5941823110051621
Energy: 0.6056864669567685
Energy: 0.6025820352130881
Energy: 0.5891533811693814
Energy: 0.6472919820065199
Energy: 0.6075515756808813
Energy: 0.6079552078561428
Energy: 0.6063829225058804
Energy: 0.6156467557102496
Energy: 0.6078511765724652
Energy: 0.6337686762697384
Energy: 0.6082003565171021
Energy: 0.6078900621519571
Energy: 0.6176369246096808
Energy: 0.6070976140311624
Energy: 0.6249578038720839
Energy: 0.6334433167738701
Energy: 0.607595495348828
Energy: 0.6076140958912062
Energy: 0.614254333691782
Energy: 0.6070975866806709
Energy: 0.6135269330106108
Energy: 0.6619807663665332
Energy: 0.6541393676926665
Energy: 0.6538116502784211
Energy: 0.6164711182145519
Energy: 0.6559863440919886
Energy: 0.6151084042137757

minimum gb energy = 0.5846951228808689 eV
minimum distance =  2.68316170924719 Angstroms
sigma value = 101


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

Energy: 0.9295867286371382
Energy: 0.588486278460075
Energy: 0.6120897197325158
Energy: 0.5715478271336442
Energy: 0.593245578455895
Energy: 0.57054845554439
Energy: 0.627648514052291
Energy: 0.5914241521757755
Energy: 0.5913538317059479
Energy: 0.6304772603125841
Energy: 0.5980678370772632
Energy: 0.60463473978339
Energy: 0.629000915860045
Energy: 0.5877545027373855
Energy: 0.5913021596997037
Energy: 0.5920934895165251
Energy: 0.6042068314666602
Energy: 0.5901756122519586
Energy: 0.6261751215014802
Energy: 0.6053674649238735
Energy: 0.6119954494249896
Energy: 0.5996265198996037
Energy: 0.5985457456977513
Energy: 0.6126177477785545
Energy: 0.616136370195087
Energy: 0.5919713938326393
Energy: 0.5904457367196086
Energy: 0.6107684653341794
Energy: 0.6177982592165205
Energy: 0.6073504439207117
Energy: 0.6168118744381864
Energy: 0.615445907826081
Energy: 0.6255030282477599
Energy: 0.6194788984533438
Energy: 0.6264512819943575
Energy: 0.6260655000494862
Energy: 0.632894193925776
Energy: 0.590808563312245
Energy: 0.5905420991091114
Energy: 0.6212074699859519
Energy: 0.6017143884764887
Energy: 0.5902149310474112
Energy: 0.6266561193540434
Energy: 0.6025597087195091
Energy: 0.6025541371847281
Energy: 0.6145566276121437
Energy: 0.6187966664334476
Energy: 0.6133019418561273
Energy: 0.6069268007271678
Energy: 0.5880440010140666
Energy: 0.5903990872353094
Energy: 0.6030337116642219
Energy: 0.5879480670007637
Energy: 0.6035584949725888
Energy: 0.617306296305129
Energy: 0.605109945316302
Energy: 0.6057679733929124
Energy: 0.6021172070236033
Energy: 0.6218088139033174
Energy: 0.6032789788067723
Energy: 0.6276879271635859
Energy: 0.5660116124928819
Energy: 0.5658123240948486
Energy: 0.619614445988802
Energy: 0.5667474999335242
Energy: 0.5666297517226512
Energy: 0.6280508073045408
Energy: 0.6026818303628124
Energy: 0.6027759754367399
Energy: 0.603300512641934
Energy: 0.6037964046629756
Energy: 0.6057171308828078
Energy: 0.6149167326794269
Energy: 0.588491001321468
Energy: 0.5888583949454104
Energy: 0.600260584468523
Energy: 0.5881639274445932
Energy: 0.5926682587857185
Energy: 0.6240653509218402
Energy: 0.5935287518713243
Energy: 0.5903578114263097
Energy: 0.5997885526838401
Energy: 0.5936443333293604
Energy: 0.60342863220604
Energy: 0.6267135834423
Energy: 0.6030819741900554
Energy: 0.6030466142316172
Energy: 0.592897208215008
Energy: 0.6030311249611676
Energy: 0.604028202436043
Energy: 0.6271226670737216
Energy: 0.6071737837497477
Energy: 0.6046044121964366
Energy: 0.5881354157559665
Energy: 0.6188312561541776
Energy: 0.6130399831633636
Energy: 0.609176477398295
Energy: 0.6567571088101941
Energy: 0.6081598602867232
Energy: 0.5896733280097984
Energy: 0.6583387956451098
Energy: 0.566415401888521
Energy: 0.6598542692543009
Energy: 0.5909909101384613
Energy: 0.5914067574164066
Energy: 0.607427692371379
Energy: 0.6240963638684213
Energy: 0.6117422607207814
Energy: 0.6272410442810505
Energy: 0.602902268856138
Energy: 0.5874919015417738
Energy: 0.5880880225801091
Energy: 0.6033863692799658
Energy: 0.5900406119849476
Energy: 0.6241522536610803
Energy: 0.6028002620044918
Energy: 0.5887618347575366
Energy: 0.5909773543825362
Energy: 0.603656054169533
Energy: 0.5920133074881385
Energy: 0.6180157499533259
Energy: 0.5912084012275639
Energy: 0.5915651855052361
Energy: 0.6099379947800078
Energy: 0.5910580109122343
Energy: 0.607862157577606
Energy: 0.6286974735037425
Energy: 0.5910777991931896
Energy: 0.5905464850664445
Energy: 0.6289473885772371
Energy: 0.588397273677238
Energy: 0.6046962995072444
Energy: 0.6233972599214271
Energy: 0.6011652309484362
Energy: 0.5893109724554361
Energy: 0.6154631960818002
Energy: 0.6005165009499875
Energy: 0.5897642143121263
Energy: 0.6300426602515505
Energy: 0.6092006827978923
Energy: 0.6090276274278766
Energy: 0.6154004563636878
Energy: 0.6017011797506976
Energy: 0.6123351098216704
Energy: 0.6153765069119127
Energy: 0.5907181836998787
Energy: 0.5899775438825092
Energy: 0.6066660599246574
Energy: 0.5878867552120055
Energy: 0.6022974581083181
Energy: 0.6073717207378151
Energy: 0.5934586707917245
Energy: 0.5923334436350765
Energy: 0.6031654791314851
Energy: 0.5932461386729836
Energy: 0.6033303886762598
Energy: 0.6283694682313196
Energy: 0.5994218370429286
Energy: 0.5663017219667977
Energy: 0.591374057038628
Energy: 0.5956293859329431
Energy: 0.5668005540788507
Energy: 0.6278659276758106
Energy: 0.5943951271271793
Energy: 0.5954531823035014
Energy: 0.5936065167729351
Energy: 0.5938983946450527
Energy: 0.5907572103723608
Energy: 0.6140161131491165
Energy: 0.60585718079079
Energy: 0.5925809933701626
Energy: 0.5994222697925169
Energy: 0.6043001699006126
Energy: 0.5909555845238549
Energy: 0.6170157443368683
Energy: 0.5983712140963281
Energy: 0.5996419445551714
Energy: 0.5998442906244374
Energy: 0.5914261203800979
Energy: 0.5915086673821991
Energy: 0.6277623213302868
Energy: 0.6035294558180317
Energy: 0.6030833329457216
Energy: 0.5934538583734977
Energy: 0.6023571451260852
Energy: 0.6083412143974539
Energy: 0.6269725596233887
Energy: 0.6031460648271239
Energy: 0.6025575905259068
Energy: 0.5880126635210129
Energy: 0.606247473342116
Energy: 0.5884663902341974
Energy: 0.6103108198788865
Energy: 0.6039647864156384
Energy: 0.5956042415399962
Energy: 0.5891306828073017
Energy: 0.6038349381308099
Energy: 0.5961450097035428

minimum gb energy = 0.5658123240948486 eV
minimum distance =  2.67494382708621 Angstroms
sigma value = 33


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

Energy: 0.00971542298191486
Energy: 0.5489327670416771
Energy: 0.01010297810605937
Energy: 0.01083849200961056
Energy: 0.5502687826698994
Energy: 0.009972563305254872
Energy: 0.2930152474899013
Energy: 0.07124294857730591
Energy: 0.07069432889931358
Energy: 0.07237528833071047
Energy: 0.07256202898766007
Energy: 0.0706945077361531
Energy: 0.7714837780110324
Energy: 0.5485891696529591
Energy: 0.547915173765557
Energy: 0.5511981485328322
Energy: 0.5503104675677881
Energy: 0.5476226224992379
Energy: 0.2930152474899013
Energy: 0.07124294857628573
Energy: 0.07069432889966006
Energy: 0.07237528833038324
Energy: 0.07256202898800654
Energy: 0.0706945077361531

minimum gb energy = 0.00971542298191486 eV
minimum distance =  2.85536484480922 Angstroms
sigma value = 1