Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.606302589178085
cohesive_energy=4.204648203132152
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.00433899090034e-19, 2.77347990581838e-19, 3.36074172924474e-19, 3.8402251305019195e-19, 4.2450951659137193e-19, 4.593392344378979e-19, 4.896668359428839e-19, 5.16259763714016e-19, 5.397012100460699e-19, 5.603997299807159e-19, 5.786821675512899e-19, 5.9482409713884e-19, 6.09025790822616e-19, 6.214618858557239e-19, 6.3230701949127e-19, 6.416749462702679e-19, 6.496633989673919e-19, 6.563653038274139e-19, 6.618639740353019e-19, 6.66231507539586e-19, 6.69531991405626e-19, 6.7182470616887995e-19, 6.73165728011538e-19, 6.736063265858879e-19, 6.731304801255899e-19, 6.71593992733584e-19, 6.687997966838879e-19, 6.645235872477421e-19, 6.58483381337562e-19, 6.503443240368419e-19, 6.39715484246886e-19, 6.261081980943239e-19, 6.089136384582359e-19, 5.873996106168839e-19, 5.60651271712254e-19, 5.275230654510359e-19, 4.8660507639531e-19, 4.3603076876646605e-19, 3.73454555972328e-19, 2.95813076288688e-19, 1.9907685548103598e-19, 7.785216591101099e-20, -7.517060287868519e-20, -2.7011416307932797e-19, -5.21218500396246e-19, -8.4910875507424795e-19, -1.2843448442302499e-18, -1.8740660087897998e-18, -2.6934992482490997e-18, -3.86863172222274e-18, -5.62391235536778e-18, -8.391223881145259e-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: 0.0 eV

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

Energy: 0.01629382336855862
Energy: 0.9534120997729323
Energy: 0.016694923321444125
Energy: 0.016739031152376446
Energy: 0.9540418598237247
Energy: 0.016675882250464697
Energy: 0.9534120997710765
Energy: 0.18355497583530886
Energy: 0.18338739450084582
Energy: 0.18347124066958737
Energy: 0.18339887791088913
Energy: 0.18391897887114705
Energy: 0.0166949233195884
Energy: 0.1833873945020713
Energy: 0.1838784046959467
Energy: 0.016477022525392158
Energy: 0.18341783131200348
Energy: 0.1833296724237992
Energy: 0.016739031152376446
Energy: 0.1834712406680468
Energy: 0.016477022525707277
Energy: 0.01674084090366507
Energy: 0.18317139204099384
Energy: 0.016716600258097552
Energy: 0.954041859821589
Energy: 0.18339887791088913
Energy: 0.183417831310778
Energy: 0.18317139204004848
Energy: 0.18332911328591361
Energy: 0.1832422552111382
Energy: 0.01667588224951933
Energy: 0.18391897886988656
Energy: 0.1833296724256549
Energy: 0.01671660025473624
Energy: 0.1832422552111382
Energy: 0.016519998546173593

minimum gb energy = 0.01629382336855862 eV
minimum distance =  2.54819126369778 Angstroms
sigma value = 1


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

Energy: 2.6442637841690866
Energy: 1.3412829400969883
Energy: 1.3484325470828957
Energy: 1.4716870976243428
Energy: 1.339705419550192
Energy: 1.3570696047185558
Energy: 2.2866782686226346
Energy: 1.3678640513271592
Energy: 1.3682175542654935
Energy: 1.3575738977078902
Energy: 1.3684767181340516
Energy: 1.3660735649964377
Energy: 2.136233391861992
Energy: 1.373479900746963
Energy: 1.3679428482391507
Energy: 1.422939312352146
Energy: 1.374617943821022
Energy: 1.367762745123318
Energy: 2.50737774087075
Energy: 1.3776316433614606
Energy: 1.424262979276558
Energy: 1.4277050344512188
Energy: 1.3458513623032042
Energy: 1.4257161263765623
Energy: 2.2853395848812608
Energy: 1.3720689788651963
Energy: 1.3689168958397957
Energy: 1.362514708819736
Energy: 1.3684343673847934
Energy: 1.3677439060614498
Energy: 2.248035973320684
Energy: 1.3689272209647387
Energy: 1.4199929462391807
Energy: 1.4163429509424088
Energy: 1.3706960070182022
Energy: 1.4227532096317541
Energy: 2.246370426916109
Energy: 1.4165557493593395
Energy: 1.416422542223605
Energy: 1.421009292816802
Energy: 1.4269796208408105
Energy: 1.4181151793193845
Energy: 2.094872890698676
Energy: 1.419625922077506
Energy: 1.4209059303713567
Energy: 1.367769265951489
Energy: 1.4192543781737612
Energy: 1.4160005849026907
Energy: 1.8310309054860414
Energy: 1.422110481685696
Energy: 1.4244999857560254
Energy: 1.3706585867142622
Energy: 1.4159140153191854
Energy: 1.4247810750446086
Energy: 1.8282792984503522
Energy: 1.3661884622074079
Energy: 1.3691538240425967
Energy: 1.3745180641881727
Energy: 1.3657888722929472
Energy: 1.3697246774070058
Energy: 1.6937030745008759
Energy: 1.4212317192680208
Energy: 1.4208617674281199
Energy: 1.3457474351954497
Energy: 1.4208700558901068
Energy: 1.4030464454997433
Energy: 1.5357813706735117
Energy: 1.36611224275284
Energy: 1.3666307711163312
Energy: 1.3745509416806672
Energy: 1.4195858173193991
Energy: 1.367585180494075
Energy: 1.535356815664113
Energy: 1.3585759500965218
Energy: 1.3654969467154143
Energy: 1.3679901976666489
Energy: 1.3642775980834196
Energy: 1.3661297794561895
Energy: 1.6505586796611296
Energy: 1.3783639952503546
Energy: 1.3789601808979164
Energy: 1.3757250950097348
Energy: 1.3771249206940845
Energy: 1.3773955400486433
Energy: 1.621830409933023
Energy: 1.368553673770303
Energy: 1.368054376605585
Energy: 1.3719523619296599
Energy: 1.3578377600391853
Energy: 1.367742293033383
Energy: 1.6225017818232785
Energy: 1.424242769168954
Energy: 1.4247059483875615
Energy: 1.3716525777551165
Energy: 1.4242236211275625
Energy: 1.4262943688060399
Energy: 2.098627583184129
Energy: 1.413463045102687
Energy: 1.4135243019017654
Energy: 1.3766660176255272
Energy: 1.4134419923468067
Energy: 1.4199515596114505
Energy: 2.053084922338273
Energy: 1.4257308121486547
Energy: 1.426210357078209
Energy: 1.4245551211311238
Energy: 1.4194349391924446
Energy: 1.4264379335412865
Energy: 2.051701413129626
Energy: 1.4249627868652501
Energy: 1.4260383768049734
Energy: 1.4201040032222862
Energy: 1.424587115737334
Energy: 1.4253775341446269
Energy: 2.1362110572522797
Energy: 1.4255036912877106
Energy: 1.4262758522287913
Energy: 1.4234308609537862
Energy: 1.4192614208356849
Energy: 1.4254492745723224
Energy: 2.3437507934795634
Energy: 1.4256540557095534
Energy: 1.4215856863071588
Energy: 1.417617788461811
Energy: 1.3947930930297547
Energy: 1.421280327376952
Energy: 1.235835184830087
Energy: 1.420335610700457
Energy: 1.4201255001549795
Energy: 1.42020720250787
Energy: 1.3718298626979544
Energy: 1.425392866804372
Energy: 2.355319823445452
Energy: 1.3677788047965627
Energy: 1.3667006409462745
Energy: 1.308925731078743
Energy: 1.376954526023803
Energy: 1.365771237357703

minimum gb energy = 1.235835184830087 eV
minimum distance =  2.37156729584301 Angstroms
sigma value = 33


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

Energy: 3.2706505560827313
Energy: 1.4898048992229775
Energy: 1.4889094123424516
Energy: 1.5635241596012144
Energy: 1.4773493793166386
Energy: 1.6433343606644784
Energy: 2.2617035914090042
Energy: 1.4883174820020781
Energy: 1.4859688610553374
Energy: 1.4950196398602011
Energy: 1.5142367055248704
Energy: 1.496465401458983
Energy: 2.282675711026135
Energy: 1.4902479545649117
Energy: 1.4810151411411467
Energy: 1.5892696581486057
Energy: 1.4713602012278766
Energy: 1.4965831798078757
Energy: 2.495593061093837
Energy: 1.5716344842538523
Energy: 1.4803552092039556
Energy: 1.5880001783666868
Energy: 1.4834533688911813
Energy: 1.5882983951039946
Energy: 2.2634489401664246
Energy: 1.4833772382843646
Energy: 1.482272959595146
Energy: 1.4908644758792364
Energy: 1.4709228015396223
Energy: 1.4916708626694481
Energy: 2.4581881869630986
Energy: 1.483423724857354
Energy: 1.5005454852075388
Energy: 1.5092513422019813
Energy: 1.472143806595178
Energy: 1.5038746372439298
Energy: 2.4593439092480924
Energy: 1.4754509881046163
Energy: 1.4741351135474057
Energy: 1.4745825771686774
Energy: 1.6664483036334732
Energy: 1.4743514406690759
Energy: 2.2360244532736275
Energy: 1.5831583374621097
Energy: 1.5838251497161195
Energy: 1.4855469942519912
Energy: 1.583642292137133
Energy: 1.583534257164591
Energy: 2.0283881568632083
Energy: 1.5901117168899994
Energy: 1.4750851724856966
Energy: 1.661615317994862
Energy: 1.5843552888374655
Energy: 1.4696173084990234
Energy: 2.046779985094489
Energy: 1.4439227060374078
Energy: 1.4432866703566436
Energy: 1.477448082221468
Energy: 1.4449617597754851
Energy: 1.6469346032048506
Energy: 1.8572658135135058
Energy: 1.5685402067078158
Energy: 1.5705757292359774
Energy: 1.6824620004686601
Energy: 1.534989781239521
Energy: 1.5719597916286476
Energy: 1.7365377867543694
Energy: 1.5731716708894368
Energy: 1.4420370919200571
Energy: 1.6900292740577434
Energy: 1.5799459242384521
Energy: 1.4414933423561445
Energy: 1.7360579733708281
Energy: 1.6538602423883106
Energy: 1.6524724967257596
Energy: 1.6764290103580355
Energy: 1.6564201287764284
Energy: 1.6548835755481697
Energy: 1.8866975875059835
Energy: 1.5795215553070638
Energy: 1.5801604354970231
Energy: 1.7103406841804314
Energy: 1.5821224618594678
Energy: 1.5731432532420553
Energy: 1.9284517438409086
Energy: 1.6562655979634948
Energy: 1.656533511922695
Energy: 1.6442208265358853
Energy: 1.6579483084234705
Energy: 1.6524060620568588
Energy: 1.9290149879029492
Energy: 1.6645706378477085
Energy: 1.6529138290205645
Energy: 1.7017256543450179
Energy: 1.6653966486718346
Energy: 1.6587512155481248
Energy: 2.282728740928478
Energy: 1.6640071948191641
Energy: 1.6634413853874574
Energy: 1.6674334421967332
Energy: 1.6646076724200765
Energy: 1.660645038310712
Energy: 2.216807178296025
Energy: 1.6496381994873726
Energy: 1.659331104450751
Energy: 1.5845330619042277
Energy: 1.676067245161468
Energy: 1.5835121434773891
Energy: 2.2162505104739627
Energy: 1.6365252474081031
Energy: 1.657789414420562
Energy: 1.5835071543190662
Energy: 1.6598539633164413
Energy: 1.6502781232053836
Energy: 2.22661417717447
Energy: 1.6410449546988841
Energy: 1.6392957922715947
Energy: 1.6187300951772496
Energy: 1.6370270212835603
Energy: 1.6385397760097087
Energy: 2.603535011541007
Energy: 1.6575445988075452
Energy: 1.4957479513824592
Energy: 1.4992421814968824
Energy: 1.66618705220475
Energy: 1.491149757045194
Energy: 2.042665948287291
Energy: 1.6450238568037425
Energy: 1.6438650036019806
Energy: 1.4982753227432848
Energy: 1.6775076523767618
Energy: 1.6436778360284268
Energy: 2.2284770816720374
Energy: 1.6383491388423077
Energy: 1.6578586234455686
Energy: 1.6490485392966394
Energy: 1.6600007567214585
Energy: 1.6535210007842185
Energy: 2.4941339322855307
Energy: 1.8020660217179039
Energy: 1.6495939535453743
Energy: 1.5852012039987453
Energy: 1.7229273048192861
Energy: 1.582270561459574
Energy: 2.234032864207464
Energy: 1.660376981333565
Energy: 1.6566969233424722
Energy: 1.6510035842883433
Energy: 1.6675338031043743
Energy: 1.6522553065266425
Energy: 1.6466140577531885
Energy: 1.6164070328204891
Energy: 1.6807944263397883
Energy: 1.653738792717722
Energy: 1.7030667201848837
Energy: 1.6728925553732612
Energy: 2.4566371965116605
Energy: 1.662677026935162
Energy: 1.6621247970400126
Energy: 1.6625551098767277
Energy: 1.6770357015600548
Energy: 1.6610403431099365
Energy: 2.1787529066421323
Energy: 1.5842838980850538
Energy: 1.583681139760342
Energy: 1.6496568914836816
Energy: 1.5844770326024546
Energy: 1.6403726970632506
Energy: 1.9932550624830803
Energy: 1.5842988448295878
Energy: 1.5835758806899634
Energy: 1.6790554879901574
Energy: 1.584554951217526
Energy: 1.663806048895801
Energy: 1.9820182659762031
Energy: 1.4457742873954933
Energy: 1.6495415637229927
Energy: 1.6509126418036313
Energy: 1.6499894686705083
Energy: 1.4439348277935025
Energy: 2.0817682184236226
Energy: 1.567049468488544
Energy: 1.5678775666431395
Energy: 1.7210851350908432
Energy: 1.5644573463334701
Energy: 1.569256525052094
Energy: 1.805800026005904
Energy: 1.57260789141604
Energy: 1.573330473264993
Energy: 1.4573099926287252
Energy: 1.5788910453314875
Energy: 1.6475266108330762
Energy: 1.8042567901330848
Energy: 1.455889804435513
Energy: 1.456786797842596
Energy: 1.6494848167845706
Energy: 1.4566769029151148
Energy: 1.6557827647552048
Energy: 1.8029261973384574
Energy: 1.5829778642700443
Energy: 1.580394768015486
Energy: 1.6806699529518316
Energy: 1.5813922521416168
Energy: 1.5789724665582663
Energy: 1.9349303974801826
Energy: 1.4565063819256916
Energy: 1.4556837914641672
Energy: 1.5055593636353637
Energy: 1.6448265118224266
Energy: 1.4558359309832247
Energy: 1.93468479220017
Energy: 1.4887009826473547
Energy: 1.4877472584030167
Energy: 1.4937879316889735
Energy: 1.48995835147244
Energy: 1.4882106024172421
Energy: 1.9353558193570923
Energy: 1.5320424405051498
Energy: 1.4879837024229186
Energy: 1.5433615314224414
Energy: 1.5097695288749033
Energy: 1.5506515953645996
Energy: 2.2165114170499276
Energy: 1.4935194772428684
Energy: 1.4917973536466278
Energy: 1.5838825551219853
Energy: 1.5052319941815475
Energy: 1.4885462353521695
Energy: 2.2173912895377956
Energy: 1.4648357398433836
Energy: 1.4999970484744534
Energy: 1.5843974218716799
Energy: 1.464475456192485
Energy: 1.5831944730238332
Energy: 1.6753596527663137
Energy: 1.4852678123864356
Energy: 1.4856289751551521
Energy: 1.4944945553689106
Energy: 1.4829610138276683
Energy: 1.4923736123816655
Energy: 2.5588615308905993
Energy: 1.4738606011502589
Energy: 1.479457097989852
Energy: 1.4792067377418667
Energy: 1.5086452154477576
Energy: 1.5628823391207445

minimum gb energy = 1.4414933423561445 eV
minimum distance =  2.21598503903056 Angstroms
sigma value = 51


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

Energy: 2.716617535243574
Energy: 1.5803923601936525
Energy: 1.5563592542259064
Energy: 1.4848040659877246
Energy: 1.592032146178742
Energy: 1.4116934149739755
Energy: 2.0342411920488113
Energy: 1.5215106494615562
Energy: 1.5172151131181741
Energy: 1.4419113510463692
Energy: 1.5120139763170128
Energy: 1.4399060870405693
Energy: 2.36923372020985
Energy: 1.512837062145202
Energy: 1.5117968627212277
Energy: 1.440259786687067
Energy: 1.514057865209816
Energy: 1.5101568759178938
Energy: 2.368332407774001
Energy: 1.5139112982268028
Energy: 1.5183720174489157
Energy: 1.4390441859813314
Energy: 1.5186998260385502
Energy: 1.430839364032444
Energy: 1.4418824728143478
Energy: 1.4396159061670246
Energy: 1.4392260363573421
Energy: 1.4437861842982544
Energy: 1.439609511950471
Energy: 1.4399286004593792
Energy: 2.0318651282877545
Energy: 1.439222577345028
Energy: 1.4396202342850284
Energy: 1.4407835603231092
Energy: 1.440139876123613
Energy: 1.4400458541089327
Energy: 2.031783306268008
Energy: 1.4414445610923718
Energy: 1.4403398469105981
Energy: 1.4408050889114257
Energy: 1.4434263409639818
Energy: 1.440029529947773
Energy: 1.9098324669353735
Energy: 1.3911693803163772
Energy: 1.3916535248188613
Energy: 1.624476429348011
Energy: 1.590659196100205
Energy: 1.5875127668870388
Energy: 1.6220914177249213
Energy: 1.543364093427973
Energy: 1.5594754594978548
Energy: 1.5218876631304026
Energy: 1.4898272054819548
Energy: 1.5124386711473623
Energy: 1.6218519922099068
Energy: 1.4400163360034173
Energy: 1.4392002612300792
Energy: 1.5118212755840703
Energy: 1.4428718482716758
Energy: 1.5181437782176024
Energy: 1.6219782981120476
Energy: 1.4848761737059566
Energy: 1.4855367370206414
Energy: 1.4333220023529962
Energy: 1.4386760487476413
Energy: 1.4695563142613366
Energy: 1.7409113387098423
Energy: 1.4396582144732515
Energy: 1.4402808037988686
Energy: 1.4444750629400767
Energy: 1.4325688339240537
Energy: 1.4406802812457986
Energy: 1.7393725569603595
Energy: 1.5928074043574092
Energy: 1.5167347651536147
Energy: 1.5125886536861692
Energy: 1.5856679342619682
Energy: 1.5168848554263379
Energy: 1.74055365944759
Energy: 1.4417956377158443
Energy: 1.4414593619533937
Energy: 1.4883990159040725
Energy: 1.4421657977484672
Energy: 1.4411857173074525
Energy: 2.180837489555216
Energy: 1.5129625159674511
Energy: 1.5135368317105125
Energy: 1.4167815115868432
Energy: 1.5147822807342648
Energy: 1.5137408232715237
Energy: 2.1809448583623734
Energy: 1.513371167026339
Energy: 1.5197128587505173
Energy: 1.4219543534591073
Energy: 1.5129778569119536
Energy: 1.4051055985692866
Energy: 1.442924974526702
Energy: 1.5129352291001343
Energy: 1.5195890916094033
Energy: 1.44318052254144
Energy: 1.5132724416021182
Energy: 1.516060306191839
Energy: 2.5568675687143325
Energy: 1.5242974744560054
Energy: 1.4213816486066853
Energy: 1.3906448475549633
Energy: 1.52456584284918
Energy: 1.4196846905796878

minimum gb energy = 1.3906448475549633 eV
minimum distance =  2.38302533049256 Angstroms
sigma value = 19


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

Energy: 2.549138537436273
Energy: 1.5622554737881216
Energy: 1.4718988273065903
Energy: 1.6705901930750457
Energy: 1.5608730566875182
Energy: 1.671489697397242
Energy: 2.176876560086483
Energy: 1.5710247232429793
Energy: 1.5142895937422858
Energy: 1.5903986050401675
Energy: 1.571157369602522
Energy: 1.514300140826346
Energy: 1.7715103321250372
Energy: 1.588115891049678
Energy: 1.5129852638072798
Energy: 1.612006096618179
Energy: 1.571032024331212
Energy: 1.5369700457493751
Energy: 2.034572795940199
Energy: 1.5880589536007648
Energy: 1.575217990747795
Energy: 1.698163593106617
Energy: 1.5751635116544171
Energy: 1.5377862415791947
Energy: 2.1778409265633796
Energy: 1.5136413223810716
Energy: 1.5736488389794254
Energy: 1.5258941951263285
Energy: 1.5711668296599937
Energy: 1.5762316125823739
Energy: 2.151507573662872
Energy: 1.6249800369304033
Energy: 1.5611256961184332
Energy: 1.5644710292341288
Energy: 1.6247273344892774
Energy: 1.5860005382379843
Energy: 2.152709998986188
Energy: 1.5601033191724245
Energy: 1.5628006672599155
Energy: 1.5963342419819622
Energy: 1.559615763907497
Energy: 1.5680051714960754
Energy: 1.9704939917791746
Energy: 1.5071093433232485
Energy: 1.5061696641966733
Energy: 1.5812797075509217
Energy: 1.509360793737631
Energy: 1.5136079609793252
Energy: 1.811953413471607
Energy: 1.5072289719455232
Energy: 1.513041903835751
Energy: 1.7841374908665286
Energy: 1.5065605225835248
Energy: 1.5124117419951502
Energy: 1.8119097449550585
Energy: 1.772853859498043
Energy: 1.77469832317008
Energy: 1.7893119360130505
Energy: 1.821306201486418
Energy: 1.775204871802279
Energy: 1.8113747616616656
Energy: 1.7033558450646815
Energy: 1.7037989957151791
Energy: 1.7889578783230329
Energy: 1.7042096857072024
Energy: 1.7577177204550012
Energy: 1.9598995739675358
Energy: 1.7711938887573204
Energy: 1.784071557935806
Energy: 1.788102377878905
Energy: 1.7640172225973105
Energy: 1.7851993267416573
Energy: 1.6445722683287043
Energy: 1.8242103697429282
Energy: 1.7971736467540835
Energy: 1.6247069117782222
Energy: 1.824414530865853
Energy: 1.797694559388378
Energy: 1.9612181370008057
Energy: 1.8235030977508806
Energy: 1.7904229882197982
Energy: 1.7488695572683224
Energy: 1.8251214620764615
Energy: 1.7803530995656918
Energy: 2.281747319073508
Energy: 1.7805263585547557
Energy: 1.776475935869927
Energy: 1.5129550822254338
Energy: 1.7795424491907315
Energy: 1.5127095982405268
Energy: 2.281717386292991
Energy: 1.7863843939965227
Energy: 1.507743453542845
Energy: 1.5082160198997188
Energy: 1.6175128176252476
Energy: 1.505839113868497
Energy: 2.182278721056674
Energy: 1.7803904712795287
Energy: 1.7744443892218102
Energy: 1.7709112164205094
Energy: 1.7905330088046982
Energy: 1.7832588260853923
Energy: 2.0349007939415658
Energy: 1.7927911789071451
Energy: 1.7918981133276595
Energy: 1.696892329024701
Energy: 1.7922430894809478
Energy: 1.7305790519240025
Energy: 2.0361222406118076
Energy: 1.7765151870759688
Energy: 1.7576245329967632
Energy: 1.696635341156633
Energy: 1.7850580638964004
Energy: 1.771489574275772
Energy: 2.180413344125789
Energy: 1.6248467360718917
Energy: 1.7804250938316704
Energy: 1.8030766417789774
Energy: 1.624607745555099
Energy: 1.7750789343392903
Energy: 2.1732554642151043
Energy: 1.771925000020335
Energy: 1.7747544096993868
Energy: 1.821482854760638
Energy: 1.778378883259919
Energy: 1.7758549636154424
Energy: 2.173226992271631
Energy: 1.5458349351175606
Energy: 1.773855805543469
Energy: 1.787740011316919
Energy: 1.5598505327372167
Energy: 1.5715719708833051
Energy: 1.9477808096463278
Energy: 1.5075581833104963
Energy: 1.5088394965156022
Energy: 1.832460666538518
Energy: 1.5147944040772303
Energy: 1.5047997068589483
Energy: 1.7907461179555728
Energy: 1.5911417992944927
Energy: 1.518251284176904
Energy: 1.5632258383446784
Energy: 1.5743454188507253
Energy: 1.7538478337435672
Energy: 1.7909209357495928
Energy: 1.565296740403872
Energy: 1.7692135427431952
Energy: 1.5729908447182235
Energy: 1.5591131324935326
Energy: 1.5634197782078345
Energy: 1.7665336448508653
Energy: 1.698754661263752
Energy: 1.6980427995188043
Energy: 1.5472134815860474
Energy: 1.6989848716518676
Energy: 1.5483694216670596
Energy: 2.1061875370053253
Energy: 1.5814355292914837
Energy: 1.5647704673635365
Energy: 1.5719557001466204
Energy: 1.5897134114769755
Energy: 1.591932520986616
Energy: 1.6441931075060976
Energy: 1.5611982762020709
Energy: 1.6020965778822085
Energy: 1.6247922850180587
Energy: 1.5967141744653126
Energy: 1.5656420511340636
Energy: 2.048713955957784
Energy: 1.5609139430133554
Energy: 1.5613929053262685
Energy: 1.5271694268462754
Energy: 1.5656952263647395
Energy: 1.5678863960048353
Energy: 2.3045578657083023
Energy: 1.5686146921133497
Energy: 1.5129715883518506
Energy: 1.5070312867351383
Energy: 1.5704529192124967
Energy: 1.638063838850136

minimum gb energy = 1.4718988273065903 eV
minimum distance =  2.22977653499656 Angstroms
sigma value = 27


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

Energy: 1.9086093035217997
Energy: 1.3072592605222353
Energy: 1.2453000112293904
Energy: 1.3838433423410492
Energy: 1.306216345061771
Energy: 1.2454136996073126
Energy: 1.7995251777567234
Energy: 1.3059097376819824
Energy: 1.3059970683598856
Energy: 1.30632356186978
Energy: 1.307008963348042
Energy: 1.306795393371664
Energy: 1.677949285478081
Energy: 1.380037551302108
Energy: 1.381376534419893
Energy: 1.3067752110938988
Energy: 1.3057006427236642
Energy: 1.306871664757665
Energy: 1.3512074301916956
Energy: 1.3605994010404046
Energy: 1.30624299396738
Energy: 1.3068978237623314
Energy: 1.3065835126507501
Energy: 1.3066763302111928
Energy: 1.8015775940957812
Energy: 1.246212779551728
Energy: 1.306433872295753
Energy: 1.306194742439577
Energy: 1.2461003728639934
Energy: 1.308630889506859
Energy: 1.530269507834937
Energy: 1.3984428587806834
Energy: 1.3377418491436173
Energy: 1.5295083370772993
Energy: 1.3977664074750091
Energy: 1.2453431204878935
Energy: 1.5305481084652306
Energy: 1.345549162225188
Energy: 1.3080316332186188
Energy: 1.3080157320255539
Energy: 1.3438060519046433
Energy: 1.3071168639525883
Energy: 1.6050110729013565
Energy: 1.3365588289296737
Energy: 1.3376940785001852
Energy: 1.3822709318042465
Energy: 1.3360375421623747
Energy: 1.3050003370109535
Energy: 1.678248624697468
Energy: 1.3053700848130005
Energy: 1.3515685416479797
Energy: 1.3068778415983757
Energy: 1.3046519079326975
Energy: 1.3496662562152806
Energy: 1.6784565344045284
Energy: 1.3535002426991614
Energy: 1.307251662468902
Energy: 1.381033562802509
Energy: 1.3559156820291265
Energy: 1.3079829957290063
Energy: 1.6795488022119132
Energy: 1.4228023082181418
Energy: 1.42260446704545
Energy: 1.3108719890955067
Energy: 1.4275599528727019
Energy: 1.3467849993618195
Energy: 1.6774832715327452
Energy: 1.3063610965585701
Energy: 1.3063031653633226
Energy: 1.3065594700914684
Energy: 1.3071413773704186
Energy: 1.306796360737054

minimum gb energy = 1.2453000112293904 eV
minimum distance =  2.40681699025768 Angstroms
sigma value = 9


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

Energy: 1.2006976096072732
Energy: 1.2559968279555473
Energy: 1.2148517642745675
Energy: 1.235653597200025
Energy: 1.2827485762890982
Energy: 1.2395641479874637
Energy: 1.2252760567974352
Energy: 1.2177628180904656
Energy: 1.203587608881021
Energy: 1.2030527427068154
Energy: 1.2091565082173201
Energy: 1.2028810969309796
Energy: 1.3972182956338226
Energy: 1.2063570739554943
Energy: 1.2089100471171854
Energy: 1.2311191863614452
Energy: 1.2062066552353405
Energy: 1.210667444405809
Energy: 1.3991723170573935
Energy: 1.2099657115619538
Energy: 1.211559940482776
Energy: 1.2332311472801896
Energy: 1.2086762963170825
Energy: 1.209629964502563
Energy: 1.240086249326954
Energy: 1.2300355920799577
Energy: 1.1992046293263803
Energy: 1.2193725478933872
Energy: 1.2048265795733117
Energy: 1.2284693913217832
Energy: 1.3162700915269592
Energy: 1.2104162121629223
Energy: 1.2031970806395205
Energy: 1.259065875685509
Energy: 1.2040517647485158
Energy: 1.202830604282989
Energy: 1.3185231586094743
Energy: 1.2125751224183718
Energy: 1.2093974656427195
Energy: 1.2615520031628369
Energy: 1.2101911842337307
Energy: 1.2093640477640684
Energy: 1.344081910734248
Energy: 1.2026095716858396
Energy: 1.209374983764708
Energy: 1.2156949958268874
Energy: 1.1965763005233134
Energy: 1.2099210787951407
Energy: 1.5509870207455818
Energy: 1.2323950133343688
Energy: 1.209153373464451
Energy: 1.2072129642014613
Energy: 1.2084342974598186
Energy: 1.2100498230873207
Energy: 1.259880211538688
Energy: 1.2097144064264496
Energy: 1.209581619980655
Energy: 1.2051843436486962
Energy: 1.2107647443763625
Energy: 1.2095980624552898
Energy: 1.2595745575259132
Energy: 1.211354525487243
Energy: 1.2129748004119991
Energy: 1.198795128650852
Energy: 1.2082075235118517
Energy: 1.2326678596760574
Energy: 1.5531939234660979
Energy: 1.2360606261163087
Energy: 1.2263012992313325
Energy: 1.2093629407246593
Energy: 1.2582216824249322
Energy: 1.2333138543641233
Energy: 1.1198131821764639
Energy: 1.2348610526240058
Energy: 1.2152532508824787
Energy: 1.22956449834921
Energy: 1.241732980310135
Energy: 1.2082607862099108
Energy: 1.5520754417840057
Energy: 1.2258800121231734
Energy: 1.2275413027765791
Energy: 1.209492458238023
Energy: 1.2320081389551627
Energy: 1.2333778016466994
Energy: 1.300526474496202
Energy: 1.1761143182440215
Energy: 1.1742888678803718
Energy: 1.2077955843948345
Energy: 1.1774806215242468
Energy: 1.2177912564222844
Energy: 1.3008319964008581
Energy: 1.1965794729651082
Energy: 1.2193472725430752
Energy: 1.2076390066740574
Energy: 1.2025511895212875
Energy: 1.229677547601572
Energy: 1.2991584478393772
Energy: 1.207444252786605
Energy: 1.215269007460231
Energy: 1.2088910973043712
Energy: 1.2034739223448983
Energy: 1.21556601188346
Energy: 1.4133811013455866
Energy: 1.2295936832009633
Energy: 1.2155504291544428
Energy: 1.2123115840413292
Energy: 1.2169824094625874
Energy: 1.2156699416472683
Energy: 1.3981850045671993
Energy: 1.196735595640329
Energy: 1.1991810294138998
Energy: 1.2307059270890672
Energy: 1.1985812011193175
Energy: 1.2010472374188077
Energy: 1.395794251235736
Energy: 1.19302934274568
Energy: 1.191919894966187
Energy: 1.1969491771372391
Energy: 1.195795455484849
Energy: 1.1785028976002225
Energy: 1.3982518767986925
Energy: 1.2219672226193559
Energy: 1.2182683390486322
Energy: 1.2261122449213209
Energy: 1.2290825005482844
Energy: 1.1972706961186235
Energy: 1.4598812346280083
Energy: 1.226012332133111
Energy: 1.2038861826301008
Energy: 1.2047157373066568
Energy: 1.2175705259586946
Energy: 1.1952859613364673
Energy: 1.775377291569927
Energy: 1.206544118139645
Energy: 1.2126007863332928
Energy: 1.2045544195723863
Energy: 1.2092441646019145
Energy: 1.202868184149022
Energy: 1.2263439229043702
Energy: 1.2090265399931732
Energy: 1.2273689387405
Energy: 1.2338782656174945
Energy: 1.2074968466850122
Energy: 1.2184726703671058
Energy: 1.6744399636412797
Energy: 1.204025480742898
Energy: 1.2163683437598989
Energy: 1.2010491649340196
Energy: 1.2082498627347988
Energy: 1.2117755884513328
Energy: 1.24059019538776
Energy: 1.2109942460206082
Energy: 1.2353651532452217
Energy: 1.2183508426532446
Energy: 1.210541080290784
Energy: 1.228931453859926
Energy: 1.5253415990640893
Energy: 1.2350152295768972
Energy: 1.2384705424530413
Energy: 1.5352804295224785
Energy: 1.1975719041566169
Energy: 1.2679859926289838
Energy: 1.3168854693154648
Energy: 1.2088453996270678
Energy: 1.2105201594807156
Energy: 1.2607128388886473
Energy: 1.2062400892812026
Energy: 1.2309329663469084
Energy: 1.3168249412395585
Energy: 1.234132348131067
Energy: 1.2319124447180536
Energy: 1.2627403430530189
Energy: 1.2091824294433233
Energy: 1.2109689999803268
Energy: 1.3086014372864048
Energy: 1.1999833499478618
Energy: 1.2098282885211997
Energy: 1.2098612146215078
Energy: 1.1965905053695294
Energy: 1.2098099742420751
Energy: 1.2595517214452292
Energy: 1.2117128486043123
Energy: 1.2137560496409003
Energy: 1.1990026233840647
Energy: 1.2076572471714306
Energy: 1.2091816492979142
Energy: 2.2102408551752695
Energy: 1.214773356290884
Energy: 1.210559984664274
Energy: 1.2002563206154377
Energy: 1.2121710899840812
Energy: 1.209079392557493
Energy: 1.5510320634449335
Energy: 1.2271845460260828
Energy: 1.2079526751603016
Energy: 1.207497270245397
Energy: 1.2589989223409257
Energy: 1.2101630120639673
Energy: 1.3663823261577481
Energy: 1.2304132913478554
Energy: 1.2268204137095071
Energy: 1.2091849475457923
Energy: 1.2183517593968523
Energy: 1.2057744601011096
Energy: 1.552965248412255
Energy: 1.2278115451381155
Energy: 1.2270252524081473
Energy: 1.2073657216833844
Energy: 1.2385508701600594
Energy: 1.2291796869508953
Energy: 1.34144893120005
Energy: 1.176657794925654
Energy: 1.2040644103851952
Energy: 1.2106609355001114
Energy: 1.17801323418227
Energy: 1.2047992824212692
Energy: 1.3003423853782876
Energy: 1.222371190305221
Energy: 1.2036858272857054
Energy: 1.2073969617953864
Energy: 1.2041064670912178
Energy: 1.2118920659331165
Energy: 1.2990260461803094
Energy: 1.2029441910369922
Energy: 1.2117154232165177
Energy: 1.2076972131659722
Energy: 1.2028620222186537
Energy: 1.203147355789572
Energy: 1.2993450016623818
Energy: 1.2296059521106282
Energy: 1.2234295099309338
Energy: 1.2077240138500605
Energy: 1.2380951355863994
Energy: 1.2435891990832815
Energy: 1.3988373508625844
Energy: 1.2038826559671572
Energy: 1.2019904929952376
Energy: 1.2083879904601884
Energy: 1.2038565283597646
Energy: 1.2043547043006966
Energy: 1.3921785391573998
Energy: 1.181050394741042
Energy: 1.179837274093993
Energy: 1.2006432864056227
Energy: 1.1965328130893644
Energy: 1.196821664378054
Energy: 1.3983231534904836
Energy: 1.1933693607013927
Energy: 1.1932038983981201
Energy: 1.2336026326057792
Energy: 1.1952139618121735
Energy: 1.1969093443922023
Energy: 1.7745597667919353
Energy: 1.2112537032105208
Energy: 1.2122146379255114
Energy: 1.2050544156089866
Energy: 1.199412652492773
Energy: 1.2027177329500107

minimum gb energy = 1.1198131821764639 eV
minimum distance =  2.36330929538127 Angstroms
sigma value = 57


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

Energy: 1.3942567067177927
Energy: 1.0466593378193887
Energy: 1.0607115609859792
Energy: 1.0834574223274074
Energy: 1.0414122108642663
Energy: 1.0593297601864773
Energy: 1.2569447795365645
Energy: 1.0825768965898992
Energy: 1.1108110816749124
Energy: 1.0401652008760556
Energy: 1.0796592140197692
Energy: 1.1131064750965327
Energy: 1.3693800324950454
Energy: 1.0912094063767022
Energy: 1.1154119822399768
Energy: 1.111388563696389
Energy: 1.0871795133789626
Energy: 1.112404065850218
Energy: 1.3703319546549941
Energy: 1.0922850453556032
Energy: 1.0958609451877388
Energy: 1.0531289923970413
Energy: 1.088979256149589
Energy: 1.0977108448141266
Energy: 1.2571922432723706
Energy: 0.6631375394960524
Energy: 0.6619898298771683
Energy: 1.0406204445279006
Energy: 0.6628776394767072
Energy: 1.0444694749603012
Energy: 1.2720146350938384
Energy: 0.6603192104903631
Energy: 0.6636762781592762
Energy: 1.0421154815618465
Energy: 0.6613261367438767
Energy: 0.6605505663512586
Energy: 1.2743204517549769
Energy: 1.0451470128941323
Energy: 1.0434295417508468
Energy: 1.0589598654534467
Energy: 1.0426373132082107
Energy: 1.0641681866898616
Energy: 1.4541786077256826
Energy: 1.0553452141145265
Energy: 1.045990189505997
Energy: 1.10723116639848
Energy: 1.0381420073694396
Energy: 1.0452986417260735
Energy: 1.287251835923507
Energy: 1.0446642900099372
Energy: 1.042674954578891
Energy: 1.1010072917344127
Energy: 1.0423330909038044
Energy: 1.042775156868082
Energy: 0.7071397021759996
Energy: 1.0444926133060053
Energy: 0.6600961614722844
Energy: 0.6626467046143233
Energy: 1.31906654052212
Energy: 0.6619860587588483
Energy: 0.7072656323657912
Energy: 1.0368552602028827
Energy: 1.04126116295413
Energy: 0.6616719760140618
Energy: 1.3166167996367635
Energy: 0.6622451842972029
Energy: 1.2880614968314952
Energy: 1.0418838550406877
Energy: 1.0426682872629067
Energy: 1.0447793246423958
Energy: 1.0428458575066601
Energy: 1.0421359589216612
Energy: 1.26883620509548
Energy: 1.061240861169627
Energy: 1.2086838707738963
Energy: 1.1958234737267128
Energy: 1.0622865195378843
Energy: 1.207943074677193
Energy: 1.2874179182894685
Energy: 1.0419727205499751
Energy: 1.0554270013466254
Energy: 1.0469928733838068
Energy: 1.0430396449331714
Energy: 1.055815543374403
Energy: 1.284874519404775
Energy: 0.6623828102755063
Energy: 0.6591682716215945
Energy: 1.0412847512940113
Energy: 0.6619002281621233
Energy: 0.66061172677031
Energy: 1.246578620347025
Energy: 1.053817181846423
Energy: 1.0541136825413415
Energy: 1.0440588151478971
Energy: 0.6666200027136489
Energy: 1.0428358214115259
Energy: 1.3561312832407382
Energy: 1.1169600442611638
Energy: 1.1137771391492135
Energy: 1.1111041972472084
Energy: 1.0983733287116284
Energy: 1.1147484804752923
Energy: 1.1289797002479487
Energy: 1.0840482721053213
Energy: 1.038339496528972
Energy: 1.1124926051129655
Energy: 1.0792652267674874
Energy: 1.1149017988579815
Energy: 1.2683960601660458
Energy: 1.042522898295573
Energy: 1.0404498751882254
Energy: 1.078597161470979
Energy: 1.0519321790311078
Energy: 1.0651982595369736

minimum gb energy = 0.6591682716215945 eV
minimum distance =  2.36635805037761 Angstroms
sigma value = 11


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

Energy: 2.0336092220646056
Energy: 2.1061552035169586
Energy: 1.2069827719872814
Energy: 0.9522748178199573
Energy: 1.0740035398807837
Energy: 1.204847330439797
Energy: 0.9895790401767877
Energy: 0.9423768360075645
Energy: 0.9466319636283994
Energy: 0.9364971593006911
Energy: 0.9380729050341795
Energy: 0.9409733316520029
Energy: 1.0082222973270394
Energy: 0.9371984154942556
Energy: 0.937786200129087
Energy: 0.9362918693362329
Energy: 0.9362282696647627
Energy: 0.9419147522057598
Energy: 1.0070804344707016
Energy: 0.9390425334494725
Energy: 0.939923618074477
Energy: 0.9359155782462711
Energy: 0.9362224712409345
Energy: 0.940526534245218
Energy: 0.9896486545136434
Energy: 1.0757830411783955
Energy: 1.0774676138907728
Energy: 0.938183991277482
Energy: 1.0739129433747003
Energy: 0.9427779710259497
Energy: 1.0519113748729343
Energy: 0.9483355125243127
Energy: 0.9467645799417019
Energy: 0.9340326446382743
Energy: 0.9397425570759476
Energy: 1.0764237439622322
Energy: 1.0624067241959974
Energy: 0.9405169185427352
Energy: 0.9417581396774541
Energy: 0.9374107660469453
Energy: 0.9370352462303914
Energy: 0.9411511107515182
Energy: 1.0166732602408572
Energy: 1.1462960507548994
Energy: 1.150385154990091
Energy: 0.9335780212915773
Energy: 1.1472198828721556
Energy: 0.955656822162426
Energy: 1.055355074803834
Energy: 0.9374304403247582
Energy: 0.9384321066916473
Energy: 0.9383486269468995
Energy: 0.9365143473250928
Energy: 0.9408199374976676
Energy: 1.4379170090264157
Energy: 0.9423763356709696
Energy: 0.9381901959109098
Energy: 0.9400089934886466
Energy: 0.942110281635021
Energy: 0.9453247854176946
Energy: 1.0992817240760764
Energy: 1.0728764677880083
Energy: 1.077876113675099
Energy: 1.0734233473684973
Energy: 1.0729687771302616
Energy: 1.0781595880288777
Energy: 1.2704925623484042
Energy: 0.9350641801722319
Energy: 0.9387042184502389
Energy: 1.1493105851272636
Energy: 0.9340690335600352
Energy: 0.9369325325353358
Energy: 1.4938036464131144
Energy: 0.9364868275761055
Energy: 0.9339799110485135
Energy: 1.1485133464991324
Energy: 0.9354090671174594
Energy: 0.9373547185621363
Energy: 1.270082836194204
Energy: 1.2082361829490875
Energy: 1.208884834656488
Energy: 1.0774882459646093
Energy: 1.0775908295640508
Energy: 1.2079666516742178
Energy: 1.2714515884006152
Energy: 0.9393282641910314
Energy: 0.9397140743621777
Energy: 1.0763445118678374
Energy: 0.9388374383160751
Energy: 1.0787710437305578
Energy: 1.5458159033379892
Energy: 1.0789014241210202
Energy: 1.207452827131558
Energy: 1.0748227303660616
Energy: 1.0775314133227047
Energy: 1.2076453355237817
Energy: 1.730981460666486
Energy: 0.9580081955562353
Energy: 0.9390877144049735
Energy: 1.3739222054944484
Energy: 0.9634533535187197
Energy: 0.9396400070245041
Energy: 2.0067961410950748
Energy: 1.0756860103163484
Energy: 1.0764040429788342
Energy: 0.9373098717992522
Energy: 1.0743628821113242
Energy: 1.0763229616050447
Energy: 1.1005232622684575
Energy: 0.937852407619039
Energy: 0.9395220134994978
Energy: 0.9365973314974648
Energy: 0.9354127320031582
Energy: 0.9390352850958048
Energy: 1.3893221706900498
Energy: 1.1765081534200492
Energy: 1.2006654406717092
Energy: 1.1552137844217185
Energy: 0.9411021120401921
Energy: 0.9471623930480431
Energy: 1.5451507435476322
Energy: 1.0730785091596173
Energy: 1.07625016131824
Energy: 1.0750706685560942
Energy: 1.2035152883516271
Energy: 1.0746080677094276
Energy: 0.9948248561595077
Energy: 0.9428456544578737
Energy: 0.9438791069448628
Energy: 1.0751130974070444
Energy: 0.9404532386029384
Energy: 1.2079941819441553
Energy: 0.9988958571458856
Energy: 1.0751041923742881
Energy: 1.0788361553266002
Energy: 0.9367103192238985
Energy: 0.9431247091532529
Energy: 1.0777925056182645
Energy: 1.2192349233533102
Energy: 0.9352598484615032
Energy: 0.9363479165264991
Energy: 1.1491968143209017
Energy: 0.9353941247200341
Energy: 0.9364477722498087
Energy: 1.2044339271679891
Energy: 0.9388454664730138
Energy: 0.9379549387618986
Energy: 0.9446769728934181
Energy: 0.9353979958613554
Energy: 0.936063912617925
Energy: 1.089407381612028
Energy: 0.938872159476242
Energy: 0.9427343024442901
Energy: 1.0767039551783402
Energy: 0.9356720918437454
Energy: 0.943628499766657

minimum gb energy = 0.9335780212915773 eV
minimum distance =  2.41496287527084 Angstroms
sigma value = 41


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

Energy: 2.2446557873063213
Energy: 0.9993877222628924
Energy: 0.9983305074817216
Energy: 1.8189829978349328
Energy: 0.9991558069779509
Energy: 1.0343756013448557
Energy: 1.0656170814281225
Energy: 0.9981066512417011
Energy: 0.9963003493469942
Energy: 1.0033191015281433
Energy: 1.0053815648227005
Energy: 0.996238179922632
Energy: 1.0611155940557528
Energy: 0.9988021165230967
Energy: 0.998433459145781
Energy: 1.0002291161697785
Energy: 0.999298828181238
Energy: 0.9984315526898708
Energy: 1.0611115546730683
Energy: 1.0002731264405924
Energy: 0.9986650864651673
Energy: 1.000789133196222
Energy: 0.9985975470491598
Energy: 0.9988104088607029
Energy: 1.063982871207284
Energy: 1.0102371136277928
Energy: 1.0086639513172369
Energy: 0.9984997601778467
Energy: 1.006974253338217
Energy: 0.9980861761062385
Energy: 1.1604116511225315
Energy: 1.0000359485884271
Energy: 1.0034309120964215
Energy: 1.0022109452908432
Energy: 1.0009414721671055
Energy: 1.0004351127958966
Energy: 1.160923629916068
Energy: 1.002299097121563
Energy: 0.9996340324894376
Energy: 0.9996654049151784
Energy: 0.9957457873204321
Energy: 0.9988572007529413
Energy: 1.1006528890495888
Energy: 1.0013963272148543
Energy: 1.0022861416693851
Energy: 1.0048110704549786
Energy: 1.0006038927658711
Energy: 0.9930587814778495
Energy: 1.1635193330052265
Energy: 0.997314155750039
Energy: 0.9986265887986969
Energy: 0.9982501758639697
Energy: 1.0023504457956562
Energy: 1.000083892524569
Energy: 1.7038854696702597
Energy: 1.000839091352557
Energy: 0.9978415492369339
Energy: 1.005742634188224
Energy: 0.9991742609712934
Energy: 0.9977886874075585
Energy: 1.1594415961008167
Energy: 1.00357076074026
Energy: 1.002033458799828
Energy: 1.0060790076584638
Energy: 1.0045588070919669
Energy: 1.002240478280687
Energy: 1.1628188607301664
Energy: 0.9946409282508677
Energy: 0.9947758467725746
Energy: 1.0042799966191809
Energy: 0.9975623057877926
Energy: 1.0018808409278628
Energy: 1.0689464390634336
Energy: 0.9958684753866187
Energy: 0.9961934511584761
Energy: 1.0043268704020405
Energy: 0.9967327082352587
Energy: 0.9957394038197711
Energy: 1.073403418679896
Energy: 0.9965823559688405
Energy: 0.9950822005901258
Energy: 1.0041271643692071
Energy: 0.9980419981141687
Energy: 0.9945547801080236
Energy: 1.0710553400415654
Energy: 0.9972353216663873
Energy: 0.9960009638191373
Energy: 1.0005915552387628
Energy: 1.030116549420378
Energy: 0.998834080853378
Energy: 1.067461931902864
Energy: 0.9994507962627049
Energy: 0.9975391705109481
Energy: 1.0044277364843848
Energy: 0.9969484075088668
Energy: 0.9972268138716002
Energy: 2.223857637011858
Energy: 1.0043788437140926
Energy: 1.000015152921776
Energy: 1.0133118522601994
Energy: 1.0111369315265601
Energy: 1.0049865443488502
Energy: 1.1021542109895437
Energy: 1.0027600644753292
Energy: 0.9988189403952851
Energy: 1.0016525509961094
Energy: 1.0046400999723448
Energy: 0.9994257382413314
Energy: 1.062384857587689
Energy: 0.9977835085660173
Energy: 0.9972027064733592
Energy: 1.0041268694479337
Energy: 0.9991674813418823
Energy: 0.9992056534198475
Energy: 1.060510657188971
Energy: 0.9999539065678087
Energy: 0.9972491697850365
Energy: 1.0000037595129236
Energy: 0.9986086871102829
Energy: 0.9972709580360605
Energy: 1.0659728135835471
Energy: 0.9984745749097431
Energy: 1.001405239106821
Energy: 1.004760469700255
Energy: 1.001485221530804
Energy: 0.9991861547163275
Energy: 1.8224128296146271
Energy: 1.3039519355452154
Energy: 1.3030423266562678
Energy: 0.9996748598311026
Energy: 1.0438756032751477
Energy: 1.2922995564928084
Energy: 1.1634564870375481
Energy: 1.0007344417592596
Energy: 0.9978856665096084
Energy: 1.0063908846340335
Energy: 1.002707439865731
Energy: 0.9960546354110656
Energy: 1.100295375656782
Energy: 1.043723309238934
Energy: 1.0430803663148152
Energy: 1.0039137150430033
Energy: 1.0000470171351141
Energy: 0.9983496227709003
Energy: 1.1612177635632974
Energy: 1.0025659262098037
Energy: 0.9978177325690303
Energy: 0.9947419153388123
Energy: 1.0026501928101546
Energy: 0.9972482301069323
Energy: 1.1631154382574833
Energy: 1.0033194999058843
Energy: 1.0021597613131832
Energy: 1.0058553567723039
Energy: 1.0043718714280176
Energy: 1.0028313200096963
Energy: 1.160148558761617
Energy: 1.001106491316737
Energy: 0.9980257767603175
Energy: 1.0048632170104879
Energy: 1.0008436298963388
Energy: 0.9965665011412467
Energy: 1.1590375731802307
Energy: 1.0041378459353396
Energy: 1.0148247680741647
Energy: 1.00316285502778
Energy: 0.9961953669194449
Energy: 1.0020179248524035
Energy: 1.0712153045598112
Energy: 0.9991232922128129
Energy: 1.0024696704300657
Energy: 0.991089591974798
Energy: 0.9960477331419844
Energy: 1.053484728582273
Energy: 1.0695768785030586
Energy: 0.9928192579071853
Energy: 1.0153337735755548
Energy: 1.0028252958602004
Energy: 1.0135906668149408
Energy: 1.0167359401860856
Energy: 1.0697267991511077
Energy: 0.9970969826870019
Energy: 0.9970766032432024
Energy: 1.0004102020562078
Energy: 1.324845456038367
Energy: 0.9980834514925431
Energy: 1.0683184483691934
Energy: 1.0004404007161642
Energy: 0.9985408843917996
Energy: 0.9981908641759935
Energy: 0.9961882743102246
Energy: 0.9975648721793586
Energy: 1.2202623620140283
Energy: 1.001154690483455
Energy: 0.9998644243120048
Energy: 1.002722527932322
Energy: 1.0022462446476654
Energy: 0.9996191884570326

minimum gb energy = 0.991089591974798 eV
minimum distance =  2.4022084692777 Angstroms
sigma value = 33


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

Energy: 1.3230107410263114
Energy: 1.078523581418814
Energy: 1.0781155667449007
Energy: 1.1563714800087435
Energy: 1.079524901104244
Energy: 1.0789970548747712
Energy: 1.1577649097683116
Energy: 1.0793014693733163
Energy: 1.0759085568441278
Energy: 1.084120157075949
Energy: 1.0801558096352573
Energy: 1.0762538872200587
Energy: 1.149256941846904
Energy: 1.0841707895332822
Energy: 1.0822138397947305
Energy: 1.0836485315181577
Energy: 1.0878466763702896
Energy: 1.0800043630085447
Energy: 1.1509041747891375
Energy: 1.0786275654295854
Energy: 1.0783804258331797
Energy: 1.0809776304488812
Energy: 1.080190723787189
Energy: 1.0791450008667434
Energy: 1.1452383079246082
Energy: 1.0823409960810462
Energy: 1.0860751178632546
Energy: 1.076724816385483
Energy: 1.0899255242822823
Energy: 1.087000212413833
Energy: 1.1425125880316869
Energy: 1.088478873673791
Energy: 1.0847115847102293
Energy: 1.073967618995674
Energy: 1.0909760346311057
Energy: 1.0849537781847813
Energy: 1.2126251855630268
Energy: 1.0948992848205736
Energy: 1.0760682262900791
Energy: 1.0853385383195027
Energy: 1.0961300159655494
Energy: 1.0819499106129256
Energy: 1.193941622288594
Energy: 1.0947803040975577
Energy: 1.1481832604175937
Energy: 1.0811204452521248
Energy: 1.0967380337310533
Energy: 1.163701458132484
Energy: 1.2123843650163344
Energy: 1.094738417220441
Energy: 1.0960493565390241
Energy: 1.0892884091371073
Energy: 1.086151181007391
Energy: 1.106567313268553
Energy: 1.2172675472509844
Energy: 1.1010018489224696
Energy: 1.1007745634710857
Energy: 1.0816224210273249
Energy: 1.0899351843619614
Energy: 1.1013125768928111
Energy: 1.2139797117951108
Energy: 1.0968455976678655
Energy: 1.080695691430461
Energy: 1.0838612682627322
Energy: 1.0979141761715168
Energy: 1.0770487639285973
Energy: 1.2133278598807713
Energy: 1.0783096161013535
Energy: 1.0775346931113763
Energy: 1.0815154026092604
Energy: 1.0762316991297813
Energy: 1.09761815848148
Energy: 1.1432520130860058
Energy: 1.0769049153611059
Energy: 1.0777347685119987
Energy: 1.081225163102982
Energy: 1.0762023337955375
Energy: 1.0801800292257895
Energy: 1.1523592502537527
Energy: 1.0809703013323229
Energy: 1.078766178040507
Energy: 1.0803639442164672
Energy: 1.0822018475526296
Energy: 1.0803505963277211
Energy: 1.0930285463156246
Energy: 1.0770816161495929
Energy: 1.0773132788800284
Energy: 1.0854904272225467
Energy: 1.082479357754699
Energy: 1.0772971105288807
Energy: 1.1636835527478524
Energy: 1.0878813003578225
Energy: 1.081717107890406
Energy: 1.0821527604984302
Energy: 1.0847879098626005
Energy: 1.078346360124566
Energy: 1.2194128781762525
Energy: 1.0800052547193024
Energy: 1.0888058558386255
Energy: 1.092769836027983
Energy: 1.0754676181979177
Energy: 1.083719692836008
Energy: 1.2170492121373222
Energy: 1.090480079438646
Energy: 1.0971171492213105
Energy: 1.0905880329393494
Energy: 1.0798866580229836
Energy: 1.104950171202728
Energy: 1.2388221878305066
Energy: 1.0797291377495064
Energy: 1.0781746212864756
Energy: 1.0819840619236283
Energy: 1.0820242531389384
Energy: 1.0997356803829608
Energy: 1.1046330180481911
Energy: 1.078601010530511
Energy: 1.0771341909395613
Energy: 1.089396127481381
Energy: 1.0820421492166845
Energy: 1.099337754232407
Energy: 1.1030670814371768
Energy: 1.0950412708117905
Energy: 1.0962658311542968
Energy: 1.0880133387095041
Energy: 1.0954943087411602
Energy: 1.0959259548884346
Energy: 1.1061013527310923
Energy: 1.0885599752041062
Energy: 1.0944869059609537
Energy: 1.0904303965381046
Energy: 1.0764181614070882
Energy: 1.092745216136725
Energy: 1.1486151692617619
Energy: 1.0800778392631087
Energy: 1.0782899469032967
Energy: 1.0994197284661016
Energy: 1.0832961880856073
Energy: 1.0961336821822012
Energy: 1.2087151008790913
Energy: 1.0781891658460012
Energy: 1.0749993722394986
Energy: 1.0765873435233357
Energy: 1.0790092472441017
Energy: 1.0734700824641665
Energy: 1.2085847051840517
Energy: 1.0839244526565253
Energy: 1.0941333391617285
Energy: 1.0982995362130794
Energy: 1.0835223003688303
Energy: 1.0820220130008174
Energy: 1.1515197204809298
Energy: 1.0820943069583513
Energy: 1.076224980488875
Energy: 1.082120802721679
Energy: 1.0859850590302647
Energy: 1.0759692195123574
Energy: 1.1486772936096197
Energy: 1.0790944370594886
Energy: 1.0789458201497053
Energy: 1.08256384890765
Energy: 1.0820425052967855
Energy: 1.0791496569246708
Energy: 1.147025911282227
Energy: 1.0798300038183772
Energy: 1.0826988644896067
Energy: 1.0784934020318246
Energy: 1.0940869138318996
Energy: 1.0931340078628335
Energy: 1.1418833019334573
Energy: 1.0869873386101017
Energy: 1.0834131966312344
Energy: 1.0733527549016524
Energy: 1.0922434882967424
Energy: 1.0875441947101014
Energy: 1.2123325726412588
Energy: 1.0948659509248073
Energy: 1.0952513445118264
Energy: 1.0884925827995025
Energy: 1.09585675648927
Energy: 1.0785359441462488
Energy: 1.194122501729826
Energy: 1.0911346974520688
Energy: 1.14658909286029
Energy: 1.077034586405568
Energy: 1.088705118520811
Energy: 1.0815327089377098
Energy: 1.2129183805997799
Energy: 1.0949967911990992
Energy: 1.095549389760296
Energy: 1.095458579659883
Energy: 1.0915508593495575
Energy: 1.0945742773778522
Energy: 1.2155782540654563
Energy: 1.0992985953947878
Energy: 1.0990744146901181
Energy: 1.0812145656969452
Energy: 1.0996484624130152
Energy: 1.0957592234620739
Energy: 1.215395138708946
Energy: 1.098625726587763
Energy: 1.0976323645807673
Energy: 1.0808705449069156
Energy: 1.093189942674541
Energy: 1.0787038173037928
Energy: 1.2129801500402824
Energy: 1.0766651377724814
Energy: 1.1040821292957352
Energy: 1.0838985555340075
Energy: 1.0812642667717944
Energy: 1.0956377350931508
Energy: 1.1422834226139236
Energy: 1.0780874177336717
Energy: 1.0763165108882842
Energy: 1.076241427532662
Energy: 1.0733025953131277
Energy: 1.0762725668519753
Energy: 1.1688916053479126
Energy: 1.0785235302020955
Energy: 1.081561525150854
Energy: 1.0838320509048414
Energy: 1.0803606580444471
Energy: 1.0812366329747003
Energy: 1.1716954531067467
Energy: 1.0750469705633048
Energy: 1.0808217358571075
Energy: 1.1678360152356886
Energy: 1.0755499430323523
Energy: 1.0748132626079645
Energy: 1.1691874605548653
Energy: 1.0842482624161482
Energy: 1.0772441253444287
Energy: 1.0831688151155752
Energy: 1.0847219289572485
Energy: 1.0753249399080957
Energy: 1.2174211220921407
Energy: 1.0807119980061373
Energy: 1.0801586532536211
Energy: 1.0902262138487282
Energy: 1.0766365275708283
Energy: 1.0861974748173613
Energy: 1.2174083810949006
Energy: 1.0866461919747916
Energy: 1.0969283716054694
Energy: 1.0876447025132592
Energy: 1.0779520080115488
Energy: 1.0973440639543854
Energy: 1.1508311724350013
Energy: 1.0869830392964324
Energy: 1.084656625086464
Energy: 1.0872935521430453
Energy: 1.0798085628273648
Energy: 1.0760824801284339
Energy: 1.1062607913922484
Energy: 1.0805822174460444
Energy: 1.0789686298231493
Energy: 1.0897163738832905
Energy: 1.0827389485956904
Energy: 1.0761964238291049
Energy: 1.1077144531086918
Energy: 1.0968670621290553
Energy: 1.0986896696414177
Energy: 1.0869892903255927
Energy: 1.0967181897111353
Energy: 1.1054003160678032
Energy: 1.1063881758506717
Energy: 1.0879732488959437
Energy: 1.0906432078775898
Energy: 1.098877843167407
Energy: 1.4552781821169396
Energy: 1.0928959469232025
Energy: 1.1493751594870922
Energy: 1.0801370183806691
Energy: 1.0785991548689533
Energy: 1.0974809711517453
Energy: 1.0907389170562922
Energy: 1.0780311595029854
Energy: 1.1928919203775044
Energy: 1.0780444168143535
Energy: 1.0773388792973264
Energy: 1.074839533474044
Energy: 1.0785413057250017
Energy: 1.0789300274210447

minimum gb energy = 1.0733025953131277 eV
minimum distance =  2.41111901517157 Angstroms
sigma value = 67


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

Energy: 1.7912130463646052
Energy: 1.1519596100603269
Energy: 1.2753279470803471
Energy: 1.2712995530118423
Energy: 1.1511446348932564
Energy: 1.2747692251244942
Energy: 1.2666704635434274
Energy: 1.1849593235736335
Energy: 1.1840622669528467
Energy: 1.1833266331849257
Energy: 1.1848629369929096
Energy: 1.183784344407565
Energy: 1.215630219275963
Energy: 1.1431467488167975
Energy: 1.14011152928332
Energy: 1.142997448079974
Energy: 1.1416107615481605
Energy: 1.1392425004304285
Energy: 1.21573210032463
Energy: 1.1407242475100285
Energy: 1.1405652830458215
Energy: 1.143101697899435
Energy: 1.1408939285309057
Energy: 1.1415644405906613
Energy: 1.2647001892325316
Energy: 1.1853835393291157
Energy: 1.1897387025928485
Energy: 1.1889431715240173
Energy: 1.1856053750208642
Energy: 1.185804522798042
Energy: 1.2660953924169271
Energy: 1.1673056567511912
Energy: 1.1894852573851722
Energy: 1.190569967166826
Energy: 1.1697664287875873
Energy: 1.1884007262055842
Energy: 1.2929443635208957
Energy: 1.1859956761636439
Energy: 1.1842732239645062
Energy: 1.1484164163661943
Energy: 1.1849587786819213
Energy: 1.183883196518644

minimum gb energy = 1.1392425004304285 eV
minimum distance =  2.41708446558899 Angstroms
sigma value = 3


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

Energy: 1.6476875384949117
Energy: 1.6932862216387945
Energy: 1.2206808046576059
Energy: 1.3617131787335557
Energy: 1.513826612010372
Energy: 1.2194228312057023
Energy: 1.3043238634769563
Energy: 1.3189192011671398
Energy: 1.3075095673167607
Energy: 1.2959717785544482
Energy: 1.3162016869598183
Energy: 1.304996436498134
Energy: 1.3679268083055796
Energy: 1.2620797983858227
Energy: 1.2594846057385252
Energy: 1.3421971438531413
Energy: 1.343361855455105
Energy: 1.3402179252081605
Energy: 1.3018582962551017
Energy: 1.3188462250268131
Energy: 1.312785231933446
Energy: 1.2932885707021389
Energy: 1.2779616760895547
Energy: 1.3038086433119302
Energy: 1.2669092087881275
Energy: 1.245573177386941
Energy: 1.2418237089582438
Energy: 1.245627882846562
Energy: 1.251755356119775
Energy: 1.235284785203748
Energy: 1.3208457039991068
Energy: 1.2437980760743519
Energy: 1.2410125674981993
Energy: 1.2743270295441629
Energy: 1.2333534180000323
Energy: 1.2361994808997205
Energy: 1.2676735352045272
Energy: 1.2429218124794517
Energy: 1.2459920131541276
Energy: 1.2417319546903887
Energy: 1.23868270554625
Energy: 1.2482401230947118
Energy: 1.5958483726755592
Energy: 1.3271370645595038
Energy: 1.3336202387587388
Energy: 1.3584698863465507
Energy: 1.3268785305942328
Energy: 1.3320025112827192
Energy: 1.2664603564779675
Energy: 1.446464369901314
Energy: 1.3029336645748746
Energy: 1.2424585298846806
Energy: 1.2407414774251302
Energy: 1.3029516869904356
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Energy: 1.353550830131195
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Energy: 1.2760452696748554
Energy: 1.2751572497839356
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Energy: 1.2105784596249927
Energy: 1.2405103602107745
Energy: 1.33790947177902
Energy: 1.24799828147855
Energy: 1.2298019315948694
Energy: 1.2498337526840824
Energy: 1.244689581763273
Energy: 1.2355581116316612
Energy: 1.2952852942814166
Energy: 1.2364896669081402
Energy: 1.23916231498596
Energy: 1.2231514641093502
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Energy: 1.4404636254478393
Energy: 1.2972683357822488
Energy: 1.2783782496665674
Energy: 1.3029689262526771
Energy: 1.2988286385980876
Energy: 1.4341619740130471
Energy: 1.4260451396424083
Energy: 1.337941513304484
Energy: 1.3510408157903804
Energy: 1.2795200850714605
Energy: 1.340716423461118
Energy: 1.3493211200720698
Energy: 1.437149045163477
Energy: 1.316529209638145
Energy: 1.3052033609157396
Energy: 1.3119016498507485
Energy: 1.2931174097147913
Energy: 1.3086711852869188
Energy: 1.4365970633981149
Energy: 1.3690488758359947
Energy: 1.3628416546390159
Energy: 1.3012542450342404
Energy: 1.3677862666351186
Energy: 1.315877645967679
Energy: 1.4898059008916227
Energy: 1.3151939031805595
Energy: 1.3135988919224233
Energy: 1.3136280051336495
Energy: 1.3146042871309052
Energy: 1.3133546306056574
Energy: 1.4909187479974366
Energy: 1.2996651698760646
Energy: 1.3016248511191215
Energy: 1.3298665627230417
Energy: 1.315204057914667
Energy: 1.351657589589786
Energy: 1.3871271667092973
Energy: 1.2968765405200606
Energy: 1.3003513788179468
Energy: 1.340235085050768
Energy: 1.3300863331333772
Energy: 1.3546922882880033
Energy: 1.275414633792447
Energy: 1.2135494254740324
Energy: 1.2143013596844683
Energy: 1.2183421032630566
Energy: 1.2144575956704045
Energy: 1.2100172694478493
Energy: 1.2763250631514498
Energy: 1.2128861450545898
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Energy: 1.213171064554178
Energy: 1.2159491409180667
Energy: 1.2136749322267917
Energy: 1.2743447001026538
Energy: 1.2102743377280687
Energy: 1.2094971691935943
Energy: 1.2191069160978079
Energy: 1.213777271527255
Energy: 1.2075140975730705
Energy: 1.3189902140585232
Energy: 1.3538867037331386
Energy: 1.3586733284414367
Energy: 1.2773037650737082
Energy: 1.3517636701798978
Energy: 1.3486299182781383
Energy: 1.3024096334151252
Energy: 1.3158883969675217
Energy: 1.3145519325533241
Energy: 1.2929805854735417
Energy: 1.316783128886277
Energy: 1.3125102582610075
Energy: 1.507399971089272
Energy: 1.3314462026329463
Energy: 1.2634375930746113
Energy: 1.269875018149636
Energy: 1.3230869144151898
Energy: 1.2863020497994724
Energy: 1.3024551774913469
Energy: 1.338096418919521
Energy: 1.446732097375444
Energy: 1.2726275462759904
Energy: 1.3464785264454424
Energy: 1.2880536289178213
Energy: 1.334011647052186
Energy: 1.3132200072293085
Energy: 1.3112373551228997
Energy: 1.2925448180030554
Energy: 1.3211140455242787
Energy: 1.304393032154856
Energy: 1.3639278262766552
Energy: 1.3487360537781545
Energy: 1.346920343145902
Energy: 1.3405716161181065
Energy: 1.3434822491089158
Energy: 1.351923699353592
Energy: 1.4185246076365543
Energy: 1.2373875502372955
Energy: 1.2395677979476356
Energy: 1.3825720111301891
Energy: 1.2175141298347851
Energy: 1.2355644981041696
Energy: 1.3207503346966551
Energy: 1.2776927232461468
Energy: 1.2786566123960514
Energy: 1.274754568884994
Energy: 1.2736606538083386
Energy: 1.2709518700991809
Energy: 1.2663971616949579
Energy: 1.2443721366605232
Energy: 1.235782773515293
Energy: 1.2428209219763267
Energy: 1.2494066618523891
Energy: 1.2307767892061048
Energy: 1.4499616588954782
Energy: 1.3283608360524208
Energy: 1.3298004254663431
Energy: 1.3660178773092824
Energy: 1.2324627566401252
Energy: 1.3066001144848045
Energy: 1.5011803122993865
Energy: 1.2432588585073212
Energy: 1.2472918680363982
Energy: 1.3083141404040854
Energy: 1.2401956381822434
Energy: 1.2382377522893873
Energy: 1.2663134199754855
Energy: 1.2645453223018202
Energy: 1.264769545863881
Energy: 1.243623005404875
Energy: 1.2750408873492112
Energy: 1.2466118068458807
Energy: 1.3360058126337941
Energy: 1.3531522139041428
Energy: 1.3503693509992358
Energy: 1.2337444598258585
Energy: 1.3555049166272715
Energy: 1.3403127645869035
Energy: 1.3377669872417213
Energy: 1.2387147201642503
Energy: 1.2403821084347615
Energy: 1.2446380639226924
Energy: 1.2407208850885285
Energy: 1.2421555126437227
Energy: 1.2940000811313035
Energy: 1.2712148339028246
Energy: 1.2710225387029752
Energy: 1.2158548582168713
Energy: 1.275845803532728
Energy: 1.2757998405929913
Energy: 1.2715637663564205
Energy: 1.2421322076461123
Energy: 1.2357700398381433
Energy: 1.2129640502773984
Energy: 1.240857821439011
Energy: 1.238599321747711
Energy: 1.3413861749951186
Energy: 1.3403237217941995
Energy: 1.314125847153194
Energy: 1.2809080530495154
Energy: 1.344061327771953
Energy: 1.3093927985335945
Energy: 1.4387437228229856
Energy: 1.2993756895631519
Energy: 1.3018646935378282
Energy: 1.3201943139407364
Energy: 1.2953594630226175
Energy: 1.3072889972290367
Energy: 1.4355539092113054
Energy: 1.2561939802850672
Energy: 1.240235172874753
Energy: 1.2973174499886586
Energy: 1.3312784657883583
Energy: 1.3473865192195515
Energy: 1.4898013804686556
Energy: 1.3596149787815726
Energy: 1.3300233145094633
Energy: 1.305833575635622
Energy: 1.3595112432393892
Energy: 1.3307430491154457
Energy: 1.4947058000893025
Energy: 1.3038683468729688
Energy: 1.298066888190619
Energy: 1.3140686025639878
Energy: 1.2903068255046635
Energy: 1.308730022532374
Energy: 1.5365038577479297
Energy: 1.2765955870180345
Energy: 1.347155431563736
Energy: 1.3900460862689774
Energy: 1.2892412560972644
Energy: 1.3478753793058251
Energy: 1.2742749490765177
Energy: 1.2146018423471154
Energy: 1.2061966523619558
Energy: 1.2112936422934981
Energy: 1.21434298786375
Energy: 1.2063065814525262
Energy: 1.2735649766766708
Energy: 1.210193618969508
Energy: 1.2115775248788205
Energy: 1.219408583215883
Energy: 1.2123846504196472
Energy: 1.212217231243075
Energy: 1.2740663791630142
Energy: 1.2106354601727256
Energy: 1.2109705802004933
Energy: 1.2161941203934503
Energy: 1.2221526974677808
Energy: 1.211034349851209
Energy: 1.3774006446656335
Energy: 1.3226454017630345
Energy: 1.297268433101474
Energy: 1.3335744229444821
Energy: 1.3250882903497367
Energy: 1.3130919190676758
Energy: 1.368410785326497
Energy: 1.3193537588333861
Energy: 1.3144649882859325
Energy: 1.3400635922467845
Energy: 1.3140004484389363
Energy: 1.30026248619277
Energy: 1.2781499549116162
Energy: 1.241307471531653
Energy: 1.3120078970367215
Energy: 1.263113836130491
Energy: 1.240191436614208
Energy: 1.312917504084092

minimum gb energy = 1.2061966523619558 eV
minimum distance =  2.38480297506819 Angstroms
sigma value = 81


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

Energy: 3.009321221058266
Energy: 1.2321404010159924
Energy: 1.2734031232672927
Energy: 1.321871677193393
Energy: 1.3225031854562306
Energy: 1.5791194424694501
Energy: 1.687975170332421
Energy: 1.3165586666030973
Energy: 1.136032677254671
Energy: 1.204604483766121
Energy: 1.348198102215521
Energy: 1.206747856508063
Energy: 1.692336404973288
Energy: 1.4040894529300234
Energy: 1.403753713793522
Energy: 1.2316526796350404
Energy: 1.4019142748333622
Energy: 1.4456111783756498
Energy: 1.6841545149883814
Energy: 1.4089968921951765
Energy: 1.2057628023662306
Energy: 1.2088069347548311
Energy: 1.4104392309194118
Energy: 1.2056454268425545
Energy: 1.7937723255007842
Energy: 1.3070057015048009
Energy: 1.7404874293434087
Energy: 1.296275205038633
Energy: 1.296128841740733
Energy: 1.3370241597548176
Energy: 1.7866556890885472
Energy: 1.3037213787663924
Energy: 1.3098442577847313
Energy: 1.3453540193726734
Energy: 1.2968163377109143
Energy: 1.280479947455905
Energy: 1.7940045210082711
Energy: 1.2951005044747501
Energy: 1.2912475914524044
Energy: 1.2899574400027567
Energy: 1.3029002413698736
Energy: 1.2875504503312876
Energy: 1.812926981272298
Energy: 1.7436661117480576
Energy: 1.7449290569552678
Energy: 1.5085703347211918
Energy: 1.7176604553908776
Energy: 1.508934456326981
Energy: 1.8599264818421135
Energy: 1.7310161883194095
Energy: 1.7368691365620446
Energy: 1.7546877802246228
Energy: 1.741227726468479
Energy: 1.741252803846958
Energy: 1.8209246468277962
Energy: 1.527106371236418
Energy: 1.5288903635144855
Energy: 1.5338984126532067
Energy: 1.5358292880652096
Energy: 1.5330489675952688
Energy: 1.820111611087287
Energy: 1.5104803750314033
Energy: 1.2669381873031493
Energy: 1.2897681825383513
Energy: 1.3720052019959077
Energy: 1.567384548587356
Energy: 1.5753189422441272
Energy: 1.6326809625950283
Energy: 1.6261301199687863
Energy: 1.4045214993034911
Energy: 1.633821404252234
Energy: 1.6326404161887775
Energy: 1.574992665072498
Energy: 1.6265713671391886
Energy: 1.6235496804861766
Energy: 1.4012280097403667
Energy: 1.4036728586081284
Energy: 1.40659028611252
Energy: 1.8009781248325198
Energy: 1.2545880645799257
Energy: 1.2623023709783883
Energy: 1.135754796316329
Energy: 1.2317771237100197
Energy: 1.2609343987713828
Energy: 1.9508307559930014
Energy: 1.3756009558114572
Energy: 1.2300303118439149
Energy: 1.280408974717693
Energy: 1.3196288567178598
Energy: 1.3536069914724969
Energy: 1.931844716279573
Energy: 1.2684872851659315
Energy: 1.263733056643035
Energy: 1.2581073293287708
Energy: 1.2772388003895645
Energy: 1.260955513594864
Energy: 1.9357336291843958
Energy: 1.5166840281211553
Energy: 1.508699834391917
Energy: 1.2661011888507283
Energy: 1.5161055563086914
Energy: 1.5010268126189292
Energy: 1.4928316320611061
Energy: 1.2547551580881589
Energy: 1.255517211274711
Energy: 1.2562001325733
Energy: 1.2746031320901605
Energy: 1.2547888442666228
Energy: 1.4640590443819963
Energy: 1.2995471230923796
Energy: 1.5311863495827094
Energy: 1.4845371500983295
Energy: 1.2989564188166776
Energy: 1.2965680645956668
Energy: 1.481323268539482
Energy: 1.3002861947480966
Energy: 1.5411687515396593
Energy: 1.5393095351082808
Energy: 1.2972045435202852
Energy: 1.3072180675391827
Energy: 1.1998055004811177
Energy: 1.136998083793735
Energy: 1.1346127403157205
Energy: 1.1326946583005768
Energy: 1.1346019358721677
Energy: 1.1336096564731692
Energy: 1.7604275878582547
Energy: 1.4051749751514135
Energy: 1.4318264953928501
Energy: 1.2242916568014306
Energy: 1.4045016059548403
Energy: 1.430664632576552
Energy: 1.7639364373301603
Energy: 1.135033451482916
Energy: 1.1327955248302235
Energy: 1.1350659833451369
Energy: 1.137267436726555
Energy: 1.1324713798558288
Energy: 1.8319378385679714
Energy: 1.548535258634601
Energy: 1.2873447877981548
Energy: 1.2301331011262349
Energy: 1.3318117185723206
Energy: 1.5433081236661845
Energy: 1.840995291032741
Energy: 1.3087299885536468
Energy: 1.318809518523038
Energy: 1.280226040035913
Energy: 1.3124631025611375
Energy: 1.317638320039882
Energy: 1.7182766563651026
Energy: 1.7346048350695906
Energy: 1.7285723555101864
Energy: 1.5240420413150013
Energy: 1.501695375420827
Energy: 1.7318719628685146
Energy: 1.7178666031871512
Energy: 1.733789914151058
Energy: 1.7296012375050034
Energy: 1.519911892393333
Energy: 1.7272318286470765
Energy: 1.7331581325095498
Energy: 1.8337114205607468
Energy: 1.484252074371242
Energy: 1.4464035062987421
Energy: 1.286567414918624
Energy: 1.484893004986738
Energy: 1.3028334078187047
Energy: 1.8191143335463447
Energy: 1.5263096753350278
Energy: 1.5523383298155655
Energy: 1.5349159127658962
Energy: 1.5381571171608366
Energy: 1.533317574383166
Energy: 1.781694454141511
Energy: 1.6355022165164168
Energy: 1.6407967298723534
Energy: 1.6544078377891294
Energy: 1.6304529811435493
Energy: 1.632500662036371
Energy: 1.5767121443539824
Energy: 1.6232947426850652
Energy: 1.629447720363979
Energy: 1.4020719892335256
Energy: 1.6490015221684087
Energy: 1.4034617393121094
Energy: 1.752498312865482
Energy: 1.4586608631383036
Energy: 1.6209051729112742
Energy: 1.4324653336146944
Energy: 1.2459576504672265
Energy: 1.464507602086541
Energy: 1.9034806735767313
Energy: 1.2997278642427814
Energy: 1.2981559634061304
Energy: 1.3077829499622013
Energy: 1.3012209375201869
Energy: 1.3024073489863912
Energy: 1.9041104478874282
Energy: 1.2963695845087664
Energy: 1.3065010800258976
Energy: 1.2975945120836008
Energy: 1.3026440182183003
Energy: 1.3210489984380405
Energy: 1.9136343527291892
Energy: 1.3417562713162738
Energy: 1.3422463984132833
Energy: 1.3442822258261005
Energy: 1.5171589348026202
Energy: 1.341895097925009
Energy: 1.8869613735286397
Energy: 1.5095000203547113
Energy: 1.509598315652343
Energy: 1.34647342840473
Energy: 1.5104665897049099
Energy: 1.8199225158159007
Energy: 1.9303181711312518
Energy: 1.4075409132800207
Energy: 1.4098230962711498
Energy: 1.3556093661966775
Energy: 1.4191495551138313
Energy: 1.3549611953965293
Energy: 1.7049339381927446
Energy: 1.3228777068092605
Energy: 1.3111398463432706
Energy: 1.3072601794711465
Energy: 1.3238209602542064
Energy: 1.5088293008112594

minimum gb energy = 1.1324713798558288 eV
minimum distance =  2.23677315781262 Angstroms
sigma value = 43


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

Energy: 1.77946402281727
Energy: 1.2914166761969166
Energy: 1.2118281445882404
Energy: 1.3922334506341991
Energy: 1.2881496275584652
Energy: 1.4364669078843784
Energy: 1.2971174361631663
Energy: 1.1708365711218442
Energy: 1.2212626916303528
Energy: 1.2925758366413926
Energy: 1.1713722892020904
Energy: 1.2250727924906677
Energy: 1.2866183330161334
Energy: 1.2482001725297076
Energy: 1.2503549382376824
Energy: 1.3211606705976338
Energy: 1.2459178718130226
Energy: 1.2917486203015345
Energy: 1.3147515523035997
Energy: 1.2477184269079644
Energy: 1.2142353655740379
Energy: 1.3148530719899012
Energy: 1.2767518223641814
Energy: 1.286866415819723
Energy: 1.226836650708018
Energy: 1.1452733547914222
Energy: 1.1453918821380504
Energy: 1.146745307271692
Energy: 1.1454398731018403
Energy: 1.1454367764326359
Energy: 1.2215684643937184
Energy: 1.1455085468586903
Energy: 1.1453631963664406
Energy: 1.1457171190742759
Energy: 1.145664530030165
Energy: 1.1453476797993125
Energy: 1.2200710686054173
Energy: 1.1462099397733747
Energy: 1.1463691374256144
Energy: 1.147113970937821
Energy: 1.1486062636661183
Energy: 1.146826818367107
Energy: 1.358955205841197
Energy: 1.313037402046066
Energy: 1.297695371687393
Energy: 1.2342150902674722
Energy: 1.300717763125001
Energy: 1.3527685356964203
Energy: 1.2220453679422325
Energy: 1.2965651991756415
Energy: 1.3120197702292646
Energy: 1.1796173211832646
Energy: 1.2895640782856848
Energy: 1.2985320908200688
Energy: 1.5066072301494062
Energy: 1.3207574728837037
Energy: 1.3287844583025394
Energy: 1.2691166682393837
Energy: 1.3256187215623814
Energy: 1.3320110265670575
Energy: 1.2285760585498593
Energy: 1.316290498947807
Energy: 1.3144560339865063
Energy: 1.173408236950827
Energy: 1.344645086824594
Energy: 1.1713996272853215
Energy: 1.4071852266553384
Energy: 1.2879620596874013
Energy: 1.2905876334590043
Energy: 1.1900214847994566
Energy: 1.2901141078729816
Energy: 1.2907784463245262
Energy: 1.4093107439814918
Energy: 1.287098437079676
Energy: 1.3264489236984682
Energy: 1.286870216210555
Energy: 1.3012701902570456
Energy: 1.3287910263007467
Energy: 1.2252332864867024
Energy: 1.1731308100718154
Energy: 1.1739334697021184
Energy: 1.1706959308055298
Energy: 1.1707125929837803
Energy: 1.1738701006838939
Energy: 1.2221882860931088
Energy: 1.221910803695062
Energy: 1.172965327661291
Energy: 1.1722962112837778
Energy: 1.1475154110021946
Energy: 1.17226383558235
Energy: 1.2178298319045409
Energy: 1.1476930704643449
Energy: 1.1535189957602336
Energy: 1.178068325955776
Energy: 1.1468340877378154
Energy: 1.180117046662146
Energy: 1.2531483477934895
Energy: 1.2333524314377386
Energy: 1.23204655232791
Energy: 1.2320022920713223
Energy: 1.1784385759570228
Energy: 1.2375533022526994
Energy: 1.2573369033888535
Energy: 1.2260216188350526
Energy: 1.2271339552636855
Energy: 1.2309169450108732
Energy: 1.230627481357942
Energy: 1.2295618373570605
Energy: 1.4922688261275843
Energy: 1.2236591997295674
Energy: 1.2277694247098234
Energy: 1.3441773122797998
Energy: 1.2304091841452416
Energy: 1.3053092121815466
Energy: 1.4474043172621363
Energy: 1.228098090400439
Energy: 1.2324377099266008
Energy: 1.3450291900715532
Energy: 1.2351104096074381
Energy: 1.306182972715619
Energy: 1.258919289435229
Energy: 1.222857501877759
Energy: 1.2282930569064936
Energy: 1.227068641101789
Energy: 1.1941402258988008
Energy: 1.234126978425361
Energy: 1.340674474069624
Energy: 1.342530623832819
Energy: 1.4280585424782266
Energy: 1.2291862620569087
Energy: 1.3016934227194021
Energy: 1.467817241693098
Energy: 1.4260233118968575
Energy: 1.2246627648894943
Energy: 1.2264934588634602
Energy: 1.2116029589298498
Energy: 1.2221728914157124
Energy: 1.2268591558238986
Energy: 1.307791260798288
Energy: 1.2338713838013797
Energy: 1.2358626375714998
Energy: 1.1980417426072563
Energy: 1.2281090301438715
Energy: 1.2345801619039773
Energy: 1.4276708892236765
Energy: 1.2313317675036537
Energy: 1.2252853773303654
Energy: 1.2114661573889445
Energy: 1.2337246347723174
Energy: 1.2337768279503494
Energy: 1.2777088224242628
Energy: 1.172779294666484
Energy: 1.1722233183735706
Energy: 1.1700774126820057
Energy: 1.1743731091712468
Energy: 1.1721944389844505
Energy: 1.275743254395119
Energy: 1.1724027452276604
Energy: 1.171985159315022
Energy: 1.1710950480588969
Energy: 1.1719958539873563
Energy: 1.1713977028814269
Energy: 1.2706172043121242
Energy: 1.1713484526365607
Energy: 1.1704572700527902
Energy: 1.1724022782314272
Energy: 1.1711900046255017
Energy: 1.1700753756563875
Energy: 1.319780175766328
Energy: 1.3063049704651672
Energy: 1.3015333001196052
Energy: 1.3499674549844567
Energy: 1.2559103388017772
Energy: 1.230016965255955
Energy: 1.2962290611826786
Energy: 1.1727912242462029
Energy: 1.171842164588052
Energy: 1.2938814890037706
Energy: 1.1716958425254729
Energy: 1.2965065348048783
Energy: 1.5017527572411502
Energy: 1.2278148112252272
Energy: 1.2723516632509349
Energy: 1.3538385449160628
Energy: 1.2274624536696301
Energy: 1.2574218242351936

minimum gb energy = 1.1452733547914222 eV
minimum distance =  2.3995926550575 Angstroms
sigma value = 57


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

Energy: 1.598288011030119
Energy: 1.5424108395747032
Energy: 1.4989874038451185
Energy: 1.1679904952996405
Energy: 1.4484518258445231
Energy: 1.44828123243638
Energy: 1.2434384889984194
Energy: 1.1234665904995873
Energy: 1.1218139153869682
Energy: 1.1206590493136255
Energy: 1.1203980176274755
Energy: 1.1212397552401507
Energy: 1.2484253887079073
Energy: 1.1314176493512464
Energy: 1.1304456162789547
Energy: 1.250877729042005
Energy: 1.1315962138567426
Energy: 1.1296819299340883
Energy: 1.3179654630841784
Energy: 1.1291763158353083
Energy: 1.128877894450768
Energy: 1.1195313840586405
Energy: 1.1216390689021556
Energy: 1.1222404977420715
Energy: 1.1967908240390221
Energy: 1.1177235951343314
Energy: 1.117595222280821
Energy: 1.1263265160394107
Energy: 1.119064908065237
Energy: 1.117664705213148
Energy: 1.170196864215041
Energy: 1.1177511889091418
Energy: 1.1175956956678887
Energy: 1.1177549832139069
Energy: 1.1179356016381643
Energy: 1.1176418457497168
Energy: 1.3633254537423334
Energy: 1.1207238416710938
Energy: 1.1218496002408738
Energy: 1.1201365875006368
Energy: 1.120532735768987
Energy: 1.148009183465727
Energy: 1.1999815404676633
Energy: 1.2500627152639636
Energy: 1.2323964306887782
Energy: 1.137062511189632
Energy: 1.250236505684224
Energy: 1.24192361271535
Energy: 1.3617596943919381
Energy: 1.2388459360751995
Energy: 1.2187874088506687
Energy: 1.1206305766208398
Energy: 1.2450501898806567
Energy: 1.1228993258431486
Energy: 1.6165881089482643
Energy: 1.2581181812851465
Energy: 1.2893669473649192
Energy: 1.3703239021422446
Energy: 1.2599987031377575
Energy: 1.2883409852780492
Energy: 1.2485519667699188
Energy: 1.1508781668463226
Energy: 1.1195123920775267
Energy: 1.244929971472381
Energy: 1.15063485280114
Energy: 1.2205512484309198
Energy: 1.1663081851633552
Energy: 1.2411053804962762
Energy: 1.2416146908422172
Energy: 1.123363710351325
Energy: 1.2473837207690748
Energy: 1.2780706893760074
Energy: 1.1638523825432274
Energy: 1.2500892051143346
Energy: 1.3596057729984359
Energy: 1.360814796869475
Energy: 1.2508111866222453
Energy: 1.358156115745219
Energy: 1.2471754437196942
Energy: 1.126374090792605
Energy: 1.1222639457251462
Energy: 1.2450685726130255
Energy: 1.1240102203366362
Energy: 1.1214057974527252
Energy: 1.2768410776507906
Energy: 1.1229525698253202
Energy: 1.124629751368504
Energy: 1.2537066802639643
Energy: 1.1179826164240028
Energy: 1.126710294214378
Energy: 1.3199485663962336
Energy: 1.122718235390586
Energy: 1.1207280964060233
Energy: 1.126978227939469
Energy: 1.1211294031146986
Energy: 1.1218718777565262
Energy: 1.196848794934466
Energy: 1.1177146486622869
Energy: 1.1177195837633755
Energy: 1.1186252606898113
Energy: 1.1178807999442806
Energy: 1.1180714072872437
Energy: 1.201451073665574
Energy: 1.1193284375399932
Energy: 1.119033694021972
Energy: 1.119086028987682
Energy: 1.1178052320612988
Energy: 1.1188684898360304
Energy: 1.3624991884619746
Energy: 1.2538060325028346
Energy: 1.2513719449695986
Energy: 1.1196645671760475
Energy: 1.2523148445086898
Energy: 1.2425274137254447
Energy: 1.3653219873716285
Energy: 1.2517677884380451
Energy: 1.243426147430931
Energy: 1.1198622308422215
Energy: 1.2507799204233707
Energy: 1.242872097676363
Energy: 1.3565148508059106
Energy: 1.248122965198389
Energy: 1.1244097893147729
Energy: 1.119660597683177
Energy: 1.2433829961140654
Energy: 1.1216710352886954
Energy: 1.4031693499758746
Energy: 1.2586475411274682
Energy: 1.3225950254106815
Energy: 1.3333984587528838
Energy: 1.2897123638816974
Energy: 1.3358515184368627
Energy: 1.2503274698439113
Energy: 1.2262474718522876
Energy: 1.1283781033084286
Energy: 1.2439400449936249
Energy: 1.245143127612154
Energy: 1.1221109887309029
Energy: 1.1636068999172695
Energy: 1.2521249180391334
Energy: 1.3600114958388472
Energy: 1.3607623354045764
Energy: 1.2513898049447172
Energy: 1.3636259470484484

minimum gb energy = 1.117595222280821 eV
minimum distance =  2.39270023161417 Angstroms
sigma value = 17


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

Energy: 1.6786630220198768
Energy: 1.4062716569988303
Energy: 1.3476331222570765
Energy: 1.0814270252299267
Energy: 1.4087480419104732
Energy: 1.0855995359186794
Energy: 1.4432561704826485
Energy: 1.0934836447582645
Energy: 1.0936235007630262
Energy: 1.3130133958720227
Energy: 1.2647464358959712
Energy: 1.0942531988133446
Energy: 1.2056807193215644
Energy: 1.0539969624819245
Energy: 1.0513325469907053
Energy: 1.120133931060364
Energy: 1.056463819306511
Energy: 1.0495328111573938
Energy: 1.3606305054638652
Energy: 1.054979861349164
Energy: 1.0524093290143555
Energy: 1.2657195078966612
Energy: 1.056100933081062
Energy: 1.0962548142657074
Energy: 1.2159746835992387
Energy: 1.0198879715551772
Energy: 1.0202038071513304
Energy: 1.2079324592483187
Energy: 1.020488621974445
Energy: 1.0213039767713177
Energy: 1.182728049754876
Energy: 1.030832574527376
Energy: 1.03101791238858
Energy: 1.0082380811238556
Energy: 1.031349995836286
Energy: 0.9981698610574687
Energy: 1.2358858860042667
Energy: 0.999229484569523
Energy: 0.9970254845578935
Energy: 0.9997031971619117
Energy: 1.0764451851029502
Energy: 1.0008542755768213
Energy: 1.145198545323894
Energy: 0.9970164695313516
Energy: 0.9973853107184311
Energy: 0.9976569910141118
Energy: 0.9986547290069276
Energy: 0.9989129971929694
Energy: 1.1023006947472405
Energy: 0.9967486084349279
Energy: 1.0021655741418034
Energy: 1.0488783041320964
Energy: 0.9972792940731336
Energy: 0.9960284477150718
Energy: 1.1432305325219922
Energy: 1.032008174139361
Energy: 1.031695127957794
Energy: 1.020953512066541
Energy: 1.032065351546962
Energy: 1.0314063732965313
Energy: 1.2303384293094703
Energy: 1.0228994973837466
Energy: 1.021671986550129
Energy: 1.020961336083588
Energy: 1.0230085574465684
Energy: 1.0206204943049693
Energy: 1.382608208297827
Energy: 1.0926768305684256
Energy: 1.0925638527816028
Energy: 1.0369960759263823
Energy: 1.2642776434416119
Energy: 1.096245878680596
Energy: 1.3779169116990078
Energy: 1.1292364768023078
Energy: 1.1295505613410293
Energy: 1.038836808459942
Energy: 1.1871425853938784
Energy: 1.1302493703838625
Energy: 1.3978630849524745
Energy: 1.1321084480274912
Energy: 1.0658774449495851
Energy: 1.3073748830095255
Energy: 1.1283929678942632
Energy: 1.0654964646495824
Energy: 1.3458266822211828
Energy: 1.2063716367088844
Energy: 1.179391178823065
Energy: 1.1314563653156955
Energy: 1.243385009003323
Energy: 1.1772475439456556
Energy: 1.4443154945747152
Energy: 1.093456316965702
Energy: 1.0939497888661318
Energy: 1.1314508422313283
Energy: 1.130675479086111
Energy: 1.0933666110388742
Energy: 1.4256459148196268
Energy: 1.1278550572926118
Energy: 1.2211856809451476
Energy: 1.073944090013978
Energy: 1.1292118864487077
Energy: 1.1883952158819697

minimum gb energy = 0.9960284477150718 eV
minimum distance =  2.37968465632249 Angstroms
sigma value = 17


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

Energy: 1.230381320473642
Energy: 1.2481195814213586
Energy: 1.0682522940603827
Energy: 0.9930775165555565
Energy: 1.240989320349157
Energy: 1.1235232887087887
Energy: 1.5565673383145748
Energy: 1.0766736383012616
Energy: 1.0510918550043558
Energy: 1.0104391131038624
Energy: 1.0715045884363628
Energy: 0.9807257505284864
Energy: 1.660386510591102
Energy: 1.0335975379648834
Energy: 1.0944638411172478
Energy: 1.0006551761087967
Energy: 1.0334286818524863
Energy: 1.0931650858844786
Energy: 1.4278582801139263
Energy: 1.0937741532388532
Energy: 1.09359983726582
Energy: 1.0039863184855202
Energy: 1.0327453138310014
Energy: 1.09326372027219
Energy: 1.3278464187891228
Energy: 0.9422931909570966
Energy: 0.9455806761073531
Energy: 1.1360404291835018
Energy: 0.9405806452174681
Energy: 0.9320197831479174
Energy: 1.197865076725301
Energy: 0.9306893250855494
Energy: 1.0250217089824172
Energy: 1.0288978518390364
Energy: 0.9873641787208156
Energy: 1.0258339427965535
Energy: 1.2579366675083596
Energy: 0.9400672221748797
Energy: 1.1304138946782616
Energy: 1.1275503657156456
Energy: 1.1315227734812927
Energy: 1.1121164816835702
Energy: 1.2473159115897767
Energy: 1.0065465026970666
Energy: 1.093019566682614
Energy: 1.0971733003486914
Energy: 1.0071093281567813
Energy: 1.092469794057043
Energy: 1.2803323393961321
Energy: 1.0916026393459364
Energy: 1.0892355168242174
Energy: 1.2739250521841874
Energy: 1.0998133055088335
Energy: 1.098541616913327
Energy: 1.2691850678941348
Energy: 1.1102502306828705
Energy: 1.110804596062366
Energy: 1.1073467526826635
Energy: 1.1101291757140712
Energy: 1.112393496687693
Energy: 1.27151980183993
Energy: 1.091373940356453
Energy: 1.101392267464455
Energy: 1.099963091770666
Energy: 1.1034024841171828
Energy: 1.100912598432569
Energy: 1.3268009028367844
Energy: 1.1347589270634126
Energy: 1.1310448552293244
Energy: 1.113341316224022
Energy: 1.1322534669519508
Energy: 1.118920021854333
Energy: 1.3123209240021212
Energy: 1.1424788977826128
Energy: 1.103955990319417
Energy: 1.10507596625155
Energy: 1.1371794387776155
Energy: 1.1088850029067585
Energy: 1.3171893225105453
Energy: 1.1158411823099788
Energy: 1.1067738103205016
Energy: 1.1729351080942447
Energy: 1.1319390485090373
Energy: 1.1112733482037023
Energy: 1.3174435923146355
Energy: 1.0185311932902232
Energy: 1.0180671502920153
Energy: 1.1528491474997442
Energy: 1.0195047654833436
Energy: 1.1775671175751212
Energy: 1.3226061519453516
Energy: 1.1516477857236966
Energy: 1.1605314756147485
Energy: 1.162051236183336
Energy: 1.2244430189150457
Energy: 1.1613222157424834
Energy: 1.2173663837602802
Energy: 1.2679180925178224
Energy: 1.2752755686244603
Energy: 1.0234368833975287
Energy: 1.2673658932376028
Energy: 1.0589497712459515
Energy: 1.2111373576496052
Energy: 1.2613542606196246
Energy: 1.2629107572577198
Energy: 1.0878819710103045
Energy: 1.2611505246982644
Energy: 1.0584600776033457
Energy: 1.427982072733371
Energy: 1.268714517201774
Energy: 1.198095109858023
Energy: 1.2229112572073404
Energy: 1.0612243392940792
Energy: 1.2193140882645892
Energy: 1.519141238555017
Energy: 1.0850819361058281
Energy: 1.0895897799674104
Energy: 1.281552458463965
Energy: 1.0803468262442386
Energy: 1.1937286315100137
Energy: 1.518743920816306
Energy: 1.269205945486063
Energy: 1.2116854150199141
Energy: 1.2813083858628185
Energy: 1.2697056503461344
Energy: 1.1598190253924918
Energy: 1.164723383619147
Energy: 1.2691878907294838
Energy: 1.0891970281731134
Energy: 0.9868640413771501
Energy: 1.2662644459394348
Energy: 0.984023266201118
Energy: 1.1597313694361953
Energy: 1.2737236211015688
Energy: 1.3952523866331779
Energy: 0.9269883093502642
Energy: 1.270166204531159
Energy: 1.0175489515837235
Energy: 1.646534878505509
Energy: 1.1046640750485175
Energy: 1.2178052255593088
Energy: 1.280217029456008
Energy: 1.0358941258917453
Energy: 1.2223075288689336
Energy: 1.4141174076277596
Energy: 1.0342853146927675
Energy: 1.099186306914216
Energy: 1.2182350092602023
Energy: 1.0350579974951741
Energy: 1.093239185673925
Energy: 1.4147859081864653
Energy: 1.174438113092598
Energy: 1.17387764054496
Energy: 1.2206369571700284
Energy: 1.1753347978390887
Energy: 1.1989754419756624
Energy: 1.1977442638643412
Energy: 1.1813689758981156
Energy: 1.201377543707915
Energy: 1.0282819367113187
Energy: 1.18055794786897
Energy: 1.0487454131492342
Energy: 1.2200494812443787
Energy: 1.1830190626167543
Energy: 1.183499211124509
Energy: 1.007565013155689
Energy: 1.1798892789972368
Energy: 1.1206611640114859
Energy: 1.3229497559342591
Energy: 1.1187302532638659
Energy: 1.1233753894781378
Energy: 1.1225202112200228
Energy: 1.1501337519703594
Energy: 1.1231798643055242
Energy: 1.2766122743762665
Energy: 1.0071926455935685
Energy: 1.1173761036924583
Energy: 1.254330108481462
Energy: 1.0075009985616148
Energy: 1.115906256142563
Energy: 1.2880742927848987
Energy: 1.1144785495639478
Energy: 1.1136623873031959
Energy: 1.2575225176543174
Energy: 1.1026959158033243
Energy: 1.112351206539186
Energy: 1.2208342489549306
Energy: 1.1037441236161907
Energy: 1.1021631666090987
Energy: 1.1324531388038541
Energy: 1.101000400865967
Energy: 1.1023221525765037
Energy: 1.3128831051269263
Energy: 1.1329805826501416
Energy: 1.1314646308432532
Energy: 1.1406803962853311
Energy: 1.1321562787209853
Energy: 1.1285388249183923
Energy: 1.3084889310469412
Energy: 1.1036853725720053
Energy: 1.1081107135326396
Energy: 1.1085546463906577
Energy: 1.1088616261589088
Energy: 1.1092637166555421
Energy: 1.3196736305938659
Energy: 1.1091463370415164
Energy: 1.1091684547808165
Energy: 1.1293343591108365
Energy: 1.1098424870756052
Energy: 1.1100938353366077
Energy: 1.3126376428923865
Energy: 1.0192302964855051
Energy: 1.12504591048068
Energy: 1.1232839906659446
Energy: 1.019614297934264
Energy: 1.1275136508578714
Energy: 1.6068489758642361
Energy: 1.1245056710864738
Energy: 1.1270942755590319
Energy: 1.1254117644866342
Energy: 1.1271201296905424
Energy: 1.124144200223828
Energy: 1.2147500762053753
Energy: 1.0309310987683433
Energy: 1.3435949991485245
Energy: 1.126163226604885
Energy: 1.226543661217038
Energy: 0.9791864104512559
Energy: 1.215351799916898
Energy: 1.0436829587667995
Energy: 1.0832820942660797
Energy: 1.0612960958769777
Energy: 1.031032064056827
Energy: 1.0722746537957615
Energy: 1.318015080259435
Energy: 1.0328197088594264
Energy: 1.0314331974533764
Energy: 1.1587393514955704
Energy: 1.0317128989952815
Energy: 0.9755840330431409
Energy: 1.5749660382775257
Energy: 1.068614829863645
Energy: 1.216971199527345
Energy: 1.054005630718259
Energy: 1.0691862339996816
Energy: 1.2198066979605067
Energy: 1.6828475546256199
Energy: 1.1382231832104546
Energy: 1.115753570804404
Energy: 1.0009940547147202
Energy: 1.0560491751650334
Energy: 1.003677973399953
Energy: 1.38944792712555
Energy: 1.0703156849115716
Energy: 1.062319898128151
Energy: 1.0342824929442282
Energy: 1.0606943698339315
Energy: 1.117608576394884

minimum gb energy = 0.9269883093502642 eV
minimum distance =  2.2474293175111 Angstroms
sigma value = 57


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

Energy: 1.0638779598872836
Energy: 1.236087137101179
Energy: 0.9809177956068996
Energy: 0.8599340887440411
Energy: 1.2369507355262261
Energy: 0.9812747820133589
Energy: 1.383675264563604
Energy: 0.883111288512434
Energy: 0.8827037507716446
Energy: 0.9525570705604565
Energy: 0.9703124216991081
Energy: 0.9178541884122282
Energy: 1.4986922059285535
Energy: 0.8526034402889355
Energy: 0.8523653656530932
Energy: 0.945168071167415
Energy: 0.8523132019316797
Energy: 0.8967053426969551
Energy: 1.2647269172597684
Energy: 0.8521975633863651
Energy: 0.8975263784765399
Energy: 0.946169483837061
Energy: 0.843408685408778
Energy: 0.8959685865634502
Energy: 1.1287119898659075
Energy: 0.8852580461623292
Energy: 0.8844973133642142
Energy: 0.886400134193629
Energy: 0.8855437008567124
Energy: 0.8706891923166463
Energy: 1.0478791976877162
Energy: 0.8686858641557065
Energy: 0.8469013919963816
Energy: 0.8333579182291351
Energy: 0.8684653342422959
Energy: 0.848445491607898
Energy: 1.077068089238865
Energy: 0.8845408463992193
Energy: 0.8580457153664484
Energy: 0.8397372746012103
Energy: 0.8819113644896517
Energy: 0.8383127809524659
Energy: 1.0781071801650688
Energy: 0.8252892442640894
Energy: 0.8259891117687717
Energy: 0.846487012701121
Energy: 0.8243460913585955
Energy: 0.8330548957258986
Energy: 1.080950743366763
Energy: 0.8385717838015212
Energy: 0.835103714765088
Energy: 1.0818151638385034
Energy: 0.8344828929582606
Energy: 0.8470367608472212
Energy: 1.0943003435745569
Energy: 0.8246076260326566
Energy: 0.8244726859459126
Energy: 0.9478655448674496
Energy: 0.8229166837344252
Energy: 0.8238802119265076
Energy: 1.060014227794327
Energy: 0.8172167425246891
Energy: 0.8161912055915314
Energy: 0.8180858284397131
Energy: 0.9356772723046521
Energy: 0.8168951579433983
Energy: 1.0810272774720269
Energy: 1.033561866680485
Energy: 0.8288832142043961
Energy: 0.8253108414003698
Energy: 1.0610276997448056
Energy: 0.8292456149140889
Energy: 1.0655041393951274
Energy: 0.962040936055526
Energy: 0.9600388923853905
Energy: 0.8184755313663513
Energy: 0.9612004901721082
Energy: 0.819441347777541
Energy: 1.0551594347697126
Energy: 0.8243625931689473
Energy: 0.8250946177656315
Energy: 1.056902590008242
Energy: 0.8233760628557619
Energy: 1.0378897255990334
Energy: 1.0531420638435434
Energy: 0.8200277718100912
Energy: 0.8178209171227531
Energy: 0.9031131494599055
Energy: 0.8193487358768383
Energy: 0.8166105017606834
Energy: 1.098213687000642
Energy: 0.8556952697862076
Energy: 0.8297677615030142
Energy: 0.8211445653872081
Energy: 0.9554080483094128
Energy: 0.8302872217292335
Energy: 1.056434536206402
Energy: 0.8313836390725349
Energy: 0.83292744353814
Energy: 0.8212062939365343
Energy: 0.9621497836186769
Energy: 0.8337125077792359
Energy: 1.0322430701540475
Energy: 0.8328994472494364
Energy: 0.8330696811901768
Energy: 0.8719253912381826
Energy: 0.8330681918831375
Energy: 0.8344877141568059
Energy: 1.1313294030937788
Energy: 0.8405508364209653
Energy: 0.8405428201871883
Energy: 0.8851951908617435
Energy: 0.8493467365243594
Energy: 0.8838086213003505
Energy: 1.13271504696664
Energy: 0.8596018933475325
Energy: 0.8416323039504557
Energy: 0.8803846890962791
Energy: 0.8357059974133069
Energy: 0.8816487960185149
Energy: 1.2814554819645214
Energy: 0.8824237010449918
Energy: 0.8790538002213687
Energy: 0.8808537275224636
Energy: 0.8811259571370229
Energy: 0.8805232801585782
Energy: 1.055225001099383
Energy: 0.9462112066900668
Energy: 0.8745102852360666
Energy: 0.8426836761075982
Energy: 0.9454067381409816
Energy: 0.8756589831904448
Energy: 1.1503490818676387
Energy: 0.9453787985203648
Energy: 0.9457744975824417
Energy: 0.8972904432530678
Energy: 0.9459330634251605
Energy: 0.9463074724556076
Energy: 1.3855845278433132
Energy: 0.8817801692378882
Energy: 0.8688478410075351
Energy: 0.8857724087112863
Energy: 0.8877992997551142
Energy: 0.8701809210227641
Energy: 1.4732047737851564
Energy: 0.8866087305233277
Energy: 0.9090399071756297
Energy: 0.9705581220928329
Energy: 0.8843295634191426
Energy: 1.0035373320417431
Energy: 1.5076776958667542
Energy: 0.9555980186004718
Energy: 0.9528339992470868
Energy: 0.9552688977149113
Energy: 0.9548102131026399
Energy: 0.9185633471086928
Energy: 1.0610691116235462
Energy: 0.9704792058465725
Energy: 0.9382987558575973
Energy: 0.8599024435880266
Energy: 0.9703547716839924
Energy: 0.9341605534688332

minimum gb energy = 0.8161912055915314 eV
minimum distance =  2.39682384327806 Angstroms
sigma value = 43


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

Energy: 0.8871862893163819
Energy: 0.9391942181162617
Energy: 0.8575394145074244
Energy: 0.7364922907585462
Energy: 0.9539525176846739
Energy: 0.8209795402237541
Energy: 1.2420582396830375
Energy: 0.7057747138175048
Energy: 0.7076942984069389
Energy: 0.7592297587038429
Energy: 0.7052931703634834
Energy: 0.7068192698210614
Energy: 1.246407883333234
Energy: 0.7077626782647405
Energy: 0.7196346567140691
Energy: 0.7568865888855881
Energy: 0.7070081071685627
Energy: 0.7191769486398859
Energy: 1.091939802461546
Energy: 0.7196819539891132
Energy: 0.7195400721198855
Energy: 0.7062737433956254
Energy: 0.8697160327487325
Energy: 0.7354029373132694
Energy: 0.9788830361176295
Energy: 0.7067925068153152
Energy: 0.7073826414872713
Energy: 0.7128028534803867
Energy: 0.7062032503924558
Energy: 0.7082632119714982
Energy: 0.8653919602650074
Energy: 0.7082718924674559
Energy: 0.7014945149868345
Energy: 0.779260720586062
Energy: 0.7078529974624519
Energy: 0.694151609158448
Energy: 1.0893543263621064
Energy: 0.7072785697961365
Energy: 0.7069495724471228
Energy: 0.6873964776470475
Energy: 0.7068297682423526
Energy: 0.685706825318491
Energy: 1.0879808780626983
Energy: 0.6800350411289425
Energy: 0.6805871071529178
Energy: 0.809081061730023
Energy: 0.6793980635025223
Energy: 0.7394061991094291
Energy: 0.9241167183825565
Energy: 0.6820841855332164
Energy: 0.6851514443652358
Energy: 0.7732741896552214
Energy: 0.6927661088181056
Energy: 0.7724028377241932
Energy: 0.9207616001772664
Energy: 0.6771723296636326
Energy: 0.6765975763883
Energy: 0.6848828715682334
Energy: 0.677215090633796
Energy: 0.6751188377462816
Energy: 0.8590950350446869
Energy: 0.7221011068335508
Energy: 0.6688729422034454
Energy: 0.6725729513091573
Energy: 0.7265362920549803
Energy: 0.6682505989407825
Energy: 0.9227731565824839
Energy: 0.8396004540786521
Energy: 0.6702318408502914
Energy: 0.6735873348834788
Energy: 0.7517882247204772
Energy: 0.6730093463059449
Energy: 0.925064357467624
Energy: 0.7578344290661623
Energy: 0.7636563911802087
Energy: 0.6763288261504947
Energy: 0.751813685586067
Energy: 0.7593819066200236
Energy: 0.8706651647609551
Energy: 0.7430721710822682
Energy: 0.81606447463096
Energy: 0.8197763444141442
Energy: 0.7516723007412407
Energy: 0.8221581722027791
Energy: 0.8699465409470805
Energy: 0.6691442830897109
Energy: 0.6693420590503224
Energy: 0.8172209806526072
Energy: 0.6689175746333762
Energy: 0.6652807459534854
Energy: 0.8648121139131246
Energy: 0.7951855845945691
Energy: 0.6615154512456127
Energy: 0.6632639701317213
Energy: 0.8415112555474002
Energy: 0.6608961574272041
Energy: 0.8754246212881297
Energy: 0.820704815432074
Energy: 0.7156905632235652
Energy: 0.6671390579968568
Energy: 0.8140182994721085
Energy: 0.6659070094021429
Energy: 0.8615542268104831
Energy: 0.748584815565693
Energy: 0.6674146524331179
Energy: 0.7560556439577668
Energy: 0.7435313027970787
Energy: 0.6655580741206198
Energy: 0.8609673792034308
Energy: 0.7446464447340767
Energy: 0.8070178880986341
Energy: 0.8113930511594215
Energy: 0.7441780301710925
Energy: 0.8126609345879825
Energy: 0.8611153639069262
Energy: 0.7460080470667583
Energy: 0.678926790496195
Energy: 0.6611723353925362
Energy: 0.7463675734568821
Energy: 0.6778528352441529
Energy: 0.8943692511836451
Energy: 0.7121723311087474
Energy: 0.6758990949729259
Energy: 0.673004405154148
Energy: 0.8177513164782777
Energy: 0.6730950463694374
Energy: 0.867793851061072
Energy: 0.7583265372460816
Energy: 0.66184349533733
Energy: 0.6649942105421185
Energy: 0.8343193087740993
Energy: 0.6618757640246072
Energy: 0.8898158661098862
Energy: 0.6634433974933706
Energy: 0.6705457069713607
Energy: 0.7552778118148782
Energy: 0.6634443713461156
Energy: 0.6703026680017196
Energy: 0.8901557272736975
Energy: 0.7576276767617738
Energy: 0.835501499863033
Energy: 0.7527675285216942
Energy: 0.6801828565056925
Energy: 0.8373096452656336
Energy: 0.9731571275998784
Energy: 0.7619894121614241
Energy: 0.7738484854183661
Energy: 0.674298735770727
Energy: 0.7613219353355949
Energy: 0.774541763714148
Energy: 0.9748052916106944
Energy: 0.7712742249466558
Energy: 0.6843128513471696
Energy: 0.669632567198385
Energy: 0.6838233379372208
Energy: 0.6692114741427121
Energy: 0.862767890369914
Energy: 0.6826864328086184
Energy: 0.6831461850881272
Energy: 0.6810211080597409
Energy: 0.6864117247931124
Energy: 0.6802390237412216
Energy: 0.9706667883877322
Energy: 0.6829959537875608
Energy: 0.6834455950734486
Energy: 0.7357521001879689
Energy: 0.6826276754386351
Energy: 0.6843643139448848
Energy: 0.973506550786533
Energy: 0.7005756717456845
Energy: 0.7062711697120015
Energy: 0.7055656294184365
Energy: 0.7022909563136208
Energy: 0.7058269315492032
Energy: 1.1853378974015343
Energy: 0.6950353180082808
Energy: 0.7000321422534471
Energy: 0.773229274004376
Energy: 0.6929450729815471
Energy: 0.752779969910184
Energy: 1.1803376563670307
Energy: 0.7121771842161896
Energy: 0.7114062985650088
Energy: 0.7053820452738415
Energy: 0.7119524111589568
Energy: 0.7061328981424433
Energy: 0.874791774785381
Energy: 0.7560862794671176
Energy: 0.7289996323876381
Energy: 0.7565139818504714
Energy: 0.756731683291295
Energy: 0.7736184820253723
Energy: 0.9987704431032831
Energy: 0.7595372608920111
Energy: 0.7595841288859756
Energy: 0.7345847190726636
Energy: 0.7591588808950144
Energy: 0.7559127389431635
Energy: 1.1862437267363293
Energy: 0.749814755194165
Energy: 0.749858327863699
Energy: 0.7733076999108999
Energy: 0.8971557811960208
Energy: 0.78238430383427
Energy: 1.2480070779657169
Energy: 0.7304792686620314
Energy: 0.7505955454430105
Energy: 0.8011699406002536
Energy: 0.8115852839031295
Energy: 0.7503559875529279
Energy: 1.2420641299727329
Energy: 0.7605272113480517
Energy: 0.760458108541233
Energy: 0.7598899580813139
Energy: 0.7598282405098684
Energy: 0.7086544430612085

minimum gb energy = 0.6608961574272041 eV
minimum distance =  2.40735013378653 Angstroms
sigma value = 81


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

Energy: 0.7051661545602846
Energy: 1.0096593880945341
Energy: 0.018401631947492263
Energy: 0.020872412750360347
Energy: 1.012556448728779
Energy: 0.705654074238179
Energy: 1.3372455741207807
Energy: 1.1899842178112372
Energy: 0.9828551891151124
Energy: 1.0098175623953534
Energy: 1.0089296527996234
Energy: 1.1870178098758182
Energy: 1.3054759322234508
Energy: 0.018385241832393345
Energy: 0.018579979907505297
Energy: 1.0423795574671453
Energy: 0.018312167213770977
Energy: 0.07296535029850493
Energy: 1.3554458471716255
Energy: 0.01840174658252368
Energy: 0.01842406921660982
Energy: 1.1523017317800375
Energy: 0.01837387394330077
Energy: 0.07056207572847473
Energy: 0.069839141332896
Energy: 1.2008878689532614
Energy: 1.1487647271225554
Energy: 0.07125183685160139
Energy: 1.1945266646755668
Energy: 1.1987426755031778
Energy: 0.01931246629341623
Energy: 1.375720765763009
Energy: 0.018316449887547562
Energy: 0.021197124686681373
Energy: 1.3755786390823213
Energy: 0.0183793401392967
Energy: 1.4092247672987168
Energy: 1.1531280115046079
Energy: 1.185686414945413
Energy: 1.197493215930964
Energy: 1.188670657668444
Energy: 1.153130692780472
Energy: 1.3951277774797655
Energy: 0.01843348972227601
Energy: 0.01832576828877347
Energy: 1.2011185037470284
Energy: 0.018144776006275672
Energy: 0.018437548707589402
Energy: 1.2740930826222021
Energy: 0.018691102522380626
Energy: 0.07209526794755601
Energy: 1.0133970888997785
Energy: 0.018410132184859755
Energy: 0.07262413081860557
Energy: 0.7051438557337596
Energy: 1.0235155031503607
Energy: 0.9876654121234524
Energy: 0.01838343873805828
Energy: 1.0259047161973993
Energy: 1.1972281885716904

minimum gb energy = 0.018144776006275672 eV
minimum distance =  2.36147158553765 Angstroms
sigma value = 3


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

Energy: 0.8515303314755628
Energy: 0.8404489646524288
Energy: 0.8400550677980049
Energy: 0.7848216502242799
Energy: 0.8380698360466597
Energy: 0.7945595830257342
Energy: 0.9075013933441368
Energy: 0.8582923050461552
Energy: 0.8563071782051176
Energy: 0.8624625075956489
Energy: 0.8698384441032547
Energy: 0.8547036173024849
Energy: 0.90715734424252
Energy: 0.8060831990883321
Energy: 0.8065090001421995
Energy: 0.8687756821346263
Energy: 0.8075379216680021
Energy: 0.8376627729562339
Energy: 0.8832332670188919
Energy: 0.8071342644569487
Energy: 0.8074198433593031
Energy: 0.8636886735281538
Energy: 0.8107650800552373
Energy: 0.838606286814339
Energy: 0.8296804479551706
Energy: 0.8602198094543579
Energy: 0.8565065472079233
Energy: 0.8296874554803874
Energy: 0.8686003507887363
Energy: 0.8552905630919306
Energy: 0.8150230170398542
Energy: 0.8610598763134173
Energy: 0.8322875459672471
Energy: 0.7571559607424179
Energy: 0.8606504772435353
Energy: 0.7926427519818992
Energy: 0.8842462358787214
Energy: 0.8697394331348419
Energy: 0.8660253906439753
Energy: 0.8649401682285124
Energy: 0.8699220907544214
Energy: 0.8591298459547896
Energy: 0.8811602332990544
Energy: 0.8142986796674273
Energy: 0.8149958414158348
Energy: 0.8663209043326888
Energy: 0.777410153156914
Energy: 0.8163191630942191
Energy: 0.8730442500233574
Energy: 0.8174583122962054
Energy: 0.844083059133733
Energy: 0.8667422422218386
Energy: 0.8415180122402159
Energy: 0.8616764730736922
Energy: 0.8606429506673147
Energy: 0.8340501449574944
Energy: 0.8284942164921427
Energy: 0.8605188406632067
Energy: 0.8432443276553726
Energy: 0.8375162450865341
Energy: 0.8297924466020601
Energy: 0.8310047573900887
Energy: 0.8320664745243661
Energy: 0.7512212878676444
Energy: 0.8479113259527215
Energy: 0.7964263957998545
Energy: 0.7919147481521656
Energy: 0.8446333121291147
Energy: 0.8461519558560128
Energy: 0.7914307224259288
Energy: 0.8435596855855478
Energy: 0.7893191599148865
Energy: 0.7899521836684765
Energy: 0.7828953939243931
Energy: 0.8110686373484864
Energy: 0.7899246146458674
Energy: 0.7351508085878872
Energy: 0.812065766160501
Energy: 0.8336005833551365
Energy: 0.8137185670799869
Energy: 0.8122503995433531
Energy: 0.7991842487110814
Energy: 0.7807022511731339
Energy: 0.8182104213929303
Energy: 0.8319980803145777
Energy: 0.7576660259377559
Energy: 0.7572483390224096
Energy: 0.8319937786772597
Energy: 0.7696777800152093
Energy: 0.7584172532772007
Energy: 0.8305760453844024
Energy: 0.7946004435048781
Energy: 0.8022095138388307
Energy: 0.7963407885191645
Energy: 0.8287047892148255
Energy: 0.8035485280582837
Energy: 0.7429135846270631
Energy: 0.8036071538226716
Energy: 0.8011955857075597
Energy: 0.7426049429690857
Energy: 0.7948475447500574
Energy: 0.7430561656420749
Energy: 0.7428108935543039
Energy: 0.7909828617825271
Energy: 0.7917585643312822
Energy: 0.7431186056742455
Energy: 0.7460877927589785
Energy: 0.7919699734763485
Energy: 0.8215636616822961
Energy: 0.8240095658671018
Energy: 0.790349702799639
Energy: 0.7482532419691685
Energy: 0.8283941905830219
Energy: 0.7913841507563623
Energy: 0.8311244241869504
Energy: 0.7423191215915118
Energy: 0.7417044229878645
Energy: 0.8328218830981235
Energy: 0.7536674411805956
Energy: 0.7424862035094757
Energy: 0.8298523616016741
Energy: 0.7937851690407666
Energy: 0.8031746660683226
Energy: 0.8284103824331285
Energy: 0.797430792503532
Energy: 0.8003807718635461
Energy: 0.7598769419267001
Energy: 0.7936646767804835
Energy: 0.8024850953734755
Energy: 0.7588862731175984
Energy: 0.7967778088588782
Energy: 0.7588414227118903
Energy: 0.7607077793610296
Energy: 0.8155529462569012
Energy: 0.8152465225522697
Energy: 0.7608322679343857
Energy: 0.8140492045573621
Energy: 0.8135551412435335
Energy: 0.8313772127884582
Energy: 0.7927796260770019
Energy: 0.8134437656727053
Energy: 0.7848176278561478
Energy: 0.7926088033474078
Energy: 0.796266260657526
Energy: 0.8577552650523391
Energy: 0.7885326063860627
Energy: 0.7881730795290288
Energy: 0.8585569762679274
Energy: 0.7905616179764553
Energy: 0.799691797974293
Energy: 0.8545836881112617
Energy: 0.812758103601476
Energy: 0.8134976443979243
Energy: 0.85568983374932
Energy: 0.7797276068317097
Energy: 0.8332505397214316
Energy: 0.8387430344537109
Energy: 0.8130444695428416
Energy: 0.8139117499415975
Energy: 0.8341757847852539
Energy: 0.8516464791993751
Energy: 0.8379464358212362
Energy: 0.8018636152065207
Energy: 0.8610909659345011
Energy: 0.8613267589052024
Energy: 0.8020825823805592
Energy: 0.8602800895033151
Energy: 0.8609069762886099
Energy: 0.826638066022185
Energy: 0.8594566699337732
Energy: 0.8392781263790006
Energy: 0.7514433056593101
Energy: 0.8652661206965059
Energy: 0.7968219828040086
Energy: 0.856488818744909
Energy: 0.8614707473885382
Energy: 0.8583818142762916
Energy: 0.8543771279731299
Energy: 0.8646935950887918
Energy: 0.8598378177354671
Energy: 0.8617373037045638
Energy: 0.8137827287404339
Energy: 0.8139739594131757
Energy: 0.8630470958928333
Energy: 0.7741736628000188
Energy: 0.8141789490427899
Energy: 0.9085403812017815
Energy: 0.8173450513419126
Energy: 0.8555836416501356
Energy: 0.8603517668472261
Energy: 0.8324292436623373
Energy: 0.856895454407467
Energy: 0.8142246368541806
Energy: 0.8614408803938108
Energy: 0.8598918698278448
Energy: 0.8141584685043489
Energy: 0.8616428183737161
Energy: 0.845650160540045

minimum gb energy = 0.7351508085878872 eV
minimum distance =  2.33291478588638 Angstroms
sigma value = 67


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

Energy: 1.0699430086249817
Energy: 1.0441423392826883
Energy: 1.0587860063248515
Energy: 1.003659440546563
Energy: 1.0466892106634165
Energy: 1.059157718726917
Energy: 1.1135652106473135
Energy: 1.0582355727777182
Energy: 1.0358758804715371
Energy: 1.0543575092934225
Energy: 1.0536804496435463
Energy: 1.0325718626193567
Energy: 1.1431253296462958
Energy: 1.01143709217948
Energy: 1.019300259522462
Energy: 1.0464631876701362
Energy: 1.012543592520622
Energy: 1.0191635759237223
Energy: 1.0719389401977657
Energy: 1.021068523562123
Energy: 1.0200860492564607
Energy: 1.0516042800698262
Energy: 1.0195308451202267
Energy: 1.021344985455757
Energy: 1.0726543033562452
Energy: 1.0537989061625919
Energy: 1.0561215858902304
Energy: 1.048331553765706
Energy: 1.0535561651263412
Energy: 1.0359064308679669
Energy: 1.0134413893263532
Energy: 1.0339290859843224
Energy: 1.0251008867353306
Energy: 1.018891474748609
Energy: 1.0323230676702626
Energy: 1.024635362747736
Energy: 1.0798299921774097
Energy: 1.0548615281529943
Energy: 1.0584209866849075
Energy: 1.0568499852619142
Energy: 1.055729227510025
Energy: 1.0434755733356254
Energy: 1.0761764636646463
Energy: 1.0184461458530645
Energy: 1.0289706620684334
Energy: 1.0574604717667815
Energy: 1.0023512960047571
Energy: 1.0407739822879436
Energy: 1.0545264600008621
Energy: 1.0405237746460165
Energy: 1.0563601368950792
Energy: 1.0506170749420873
Energy: 1.0586360316116237
Energy: 1.0535696724401462
Energy: 1.0542247442009376
Energy: 1.0282752874433718
Energy: 1.037243262108465
Energy: 1.05445984393779
Energy: 1.0405142661616014
Energy: 1.0428774232287041
Energy: 1.0407512117318412
Energy: 1.036079515189717
Energy: 1.0357637660073113
Energy: 1.0079943692384512
Energy: 1.0436079298822152
Energy: 1.0294856678435464
Energy: 1.00286883264804
Energy: 1.0357634057786225
Energy: 1.035455369791245
Energy: 1.0029922377621716
Energy: 1.0284682508028247
Energy: 1.005668960461453
Energy: 1.0022182896514495
Energy: 1.0213721127361215
Energy: 1.0277995160549391
Energy: 1.002623034261678
Energy: 1.0095618930338752
Energy: 1.014188913652745
Energy: 1.0389342490470075
Energy: 1.0289824664464144
Energy: 1.027065867479881
Energy: 1.0078971524715439
Energy: 1.0449467171864262
Energy: 1.0265458783808041
Energy: 1.0439431495292593
Energy: 1.0140711834936829
Energy: 1.0186359077652483
Energy: 1.0445540046166737
Energy: 1.0103866697001926
Energy: 1.0012984785090018
Energy: 1.0438119220631754
Energy: 1.0381330691573225
Energy: 1.0356875795253964
Energy: 1.0349357130744106
Energy: 1.052708072218257
Energy: 1.0334516189078362
Energy: 1.032823815017152
Energy: 1.0231772205371765
Energy: 1.0240869845001705
Energy: 1.0339344510689994
Energy: 0.9993184570310333
Energy: 1.0340914236562886
Energy: 1.0323652304035797
Energy: 1.05423645412903
Energy: 1.0555167417665643
Energy: 1.0331647027878643
Energy: 1.0558300401204488
Energy: 1.0462535124342207
Energy: 1.0200198291687075
Energy: 1.0445452309719487
Energy: 1.0300358473715772
Energy: 1.0118076206368838
Energy: 1.044869371760741
Energy: 1.0305291263552556
Energy: 1.04794292112874
Energy: 1.04968085464903
Energy: 1.0558348790197036
Energy: 1.0491337142708652
Energy: 1.0618736019142234
Energy: 1.0569354283321541
Energy: 1.047208990147639
Energy: 1.03883297805675
Energy: 1.036895428577867
Energy: 1.0477025426739706
Energy: 1.0201134149638844
Energy: 1.0547318622432835
Energy: 1.1446039903982483
Energy: 1.0156869010387701
Energy: 1.036747475015957
Energy: 1.0440839896126717
Energy: 1.0172787472966758
Energy: 1.035912141663725
Energy: 1.096341267743696
Energy: 1.059592045193489
Energy: 1.0612307820255238
Energy: 1.0433326575877364
Energy: 1.0532564262513289
Energy: 1.0478454050887804

minimum gb energy = 0.9993184570310333 eV
minimum distance =  2.34172995557688 Angstroms
sigma value = 33


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

Energy: 1.268651504833872
Energy: 1.2595179736126851
Energy: 1.2426662101645112
Energy: 1.1905589456186068
Energy: 1.2591330383161587
Energy: 1.2364139502390747
Energy: 1.3635158311232103
Energy: 1.2419718027192619
Energy: 1.2334467201631791
Energy: 1.2488661285272504
Energy: 1.2430712049951447
Energy: 1.2321222842981625
Energy: 1.3590099905397284
Energy: 1.206984709656896
Energy: 1.2056452636038115
Energy: 1.2334323194077697
Energy: 1.2076540536702232
Energy: 1.204603350358545
Energy: 1.27736191824758
Energy: 1.207218826046738
Energy: 1.2046910644885904
Energy: 1.2342512737349574
Energy: 1.2052788650785562
Energy: 1.2045497219069954
Energy: 1.2140336902022575
Energy: 1.2428779024734762
Energy: 1.2337021896889755
Energy: 1.2109695245503052
Energy: 1.2392361995954355
Energy: 1.231797969827918
Energy: 1.1958161023219158
Energy: 1.227712026118596
Energy: 1.2317448227183332
Energy: 1.1987939931834168
Energy: 1.224928096721521
Energy: 1.204518414332856
Energy: 1.2818989093040745
Energy: 1.2341881335450045
Energy: 1.2315866183072968
Energy: 1.2325344968819594
Energy: 1.2335639066460213
Energy: 1.2266455958976887
Energy: 1.2812451827172338
Energy: 1.2156935753358926
Energy: 1.2276280642911828
Energy: 1.2363886830509458
Energy: 1.2195044361410894
Energy: 1.2277490877071922
Energy: 1.225595526593313
Energy: 1.2266887664797042
Energy: 1.23339876216102
Energy: 1.226483164504699
Energy: 1.2293144789282733
Energy: 1.229821899815345
Energy: 1.2262142872092283
Energy: 1.2178867211840283
Energy: 1.2173966719370932
Energy: 1.2275735641780523
Energy: 1.2301210605469979
Energy: 1.2210248688217828
Energy: 1.2232092782803186
Energy: 1.215499926787947
Energy: 1.2149377141377489
Energy: 1.220637406908288
Energy: 1.2280798459347633
Energy: 1.2144467935928909
Energy: 1.2291078960220936
Energy: 1.2195116614217478
Energy: 1.2140861440332271
Energy: 1.2285583379894154
Energy: 1.2019199596000438
Energy: 1.2168267220527027
Energy: 1.2267600568852617
Energy: 1.2289346993941548
Energy: 1.2262350246524292
Energy: 1.2269814530299996
Energy: 1.2277757832460865
Energy: 1.2171962406726589
Energy: 1.2099071472756573
Energy: 1.2270713970390446
Energy: 1.2275752742470554
Energy: 1.2092535363666284
Energy: 1.2251230027442452
Energy: 1.2003271438215337
Energy: 1.227015247165239
Energy: 1.2306582483160282
Energy: 1.2294702493830096
Energy: 1.228769166701098
Energy: 1.2252922493532252
Energy: 1.2329500802523727
Energy: 1.244834834935104
Energy: 1.224341140582138
Energy: 1.2235324652317507
Energy: 1.2414220560927622
Energy: 1.2077047644834202
Energy: 1.243787493046083
Energy: 1.3595211648044823
Energy: 1.2025131444134758
Energy: 1.2209660828897135
Energy: 1.2292202321315127
Energy: 1.210708483225009
Energy: 1.223545550831201
Energy: 1.3701751738753583
Energy: 1.2525624830482285
Energy: 1.244485284580662
Energy: 1.228723564406543
Energy: 1.247762701569502
Energy: 1.2652860099077938
Energy: 1.1675660250332491
Energy: 1.2271358192034163
Energy: 1.203870185095607
Energy: 1.1862310973874517
Energy: 1.2313299413440004
Energy: 1.198364311554464
Energy: 1.311237163533784
Energy: 1.243496715009309
Energy: 1.2355745298871774
Energy: 1.2014526022586807
Energy: 1.2398798181941955
Energy: 1.2329163421836173
Energy: 1.3613045407545725
Energy: 1.2129196626545866
Energy: 1.2034237453456798
Energy: 1.2347482063419817
Energy: 1.2046000941117396
Energy: 1.2033901356052006
Energy: 1.269628238398411
Energy: 1.2079382949961246
Energy: 1.20578901705912
Energy: 1.234049970460246
Energy: 1.208217717243173
Energy: 1.2048167457544832
Energy: 1.2978138602287397
Energy: 1.2454088078823753
Energy: 1.2335040444454857
Energy: 1.2461644028834697
Energy: 1.2423187010649317
Energy: 1.2324256741968662
Energy: 1.1911328867844622
Energy: 1.2276120244968156
Energy: 1.2293518705137647
Energy: 1.1989059525462378
Energy: 1.226426120533594
Energy: 1.2039018887122168
Energy: 1.2817946687213277
Energy: 1.2384859239733146
Energy: 1.2358729876727683
Energy: 1.2341613682704555
Energy: 1.2365477003336915
Energy: 1.243102127625663
Energy: 1.2804320984205118
Energy: 1.2160572255583655
Energy: 1.2273867354631034
Energy: 1.2356194769372792
Energy: 1.2191045400107718
Energy: 1.2286852551490706
Energy: 1.2232985760821997
Energy: 1.2269500441922963
Energy: 1.2283923116987776
Energy: 1.2271611871128816
Energy: 1.2229001241816755
Energy: 1.2283995721859204
Energy: 1.2267785019036308
Energy: 1.218467292971983
Energy: 1.2188403035992952
Energy: 1.2265810758530007
Energy: 1.2308864988287513
Energy: 1.2189328116014915
Energy: 1.2221841768036363
Energy: 1.2335405068493748
Energy: 1.214982775137489
Energy: 1.2198754419441153
Energy: 1.229298667523834
Energy: 1.2142276846115156
Energy: 1.2305397771632898
Energy: 1.2178054553682103
Energy: 1.2152366665607999
Energy: 1.22992298941045
Energy: 1.2023817176408316
Energy: 1.214724184751749
Energy: 1.2279353422185397
Energy: 1.229377736497351
Energy: 1.2177432313808643
Energy: 1.2275915821114436
Energy: 1.2277352052779253
Energy: 1.2176012170227086
Energy: 1.211177380889077
Energy: 1.2265492976187617
Energy: 1.227695369249593
Energy: 1.210713751827402
Energy: 1.2271870476362632
Energy: 1.2098832559660428
Energy: 1.227376435709552
Energy: 1.2291607679834302
Energy: 1.2283569927637716
Energy: 1.2195868837274138
Energy: 1.2272622161981228
Energy: 1.2321374343577687
Energy: 1.242361541573584
Energy: 1.2241401665981793
Energy: 1.2426320531991388
Energy: 1.2435554661447035
Energy: 1.2109567728966297
Energy: 1.2424119161602372
Energy: 1.3590058983447957
Energy: 1.202653354743369
Energy: 1.2186837799515893
Energy: 1.2289372384614954
Energy: 1.1946961198545316
Energy: 1.2251563393859617
Energy: 1.3695665638294872
Energy: 1.248674106277812
Energy: 1.247608441774439
Energy: 1.22757234534257
Energy: 1.2492677561175989
Energy: 1.2423513169148837
Energy: 1.1669746330544772
Energy: 1.2303633057786958
Energy: 1.2052203017303125
Energy: 1.185693055947735
Energy: 1.2313092089256918
Energy: 1.1965167466998745

minimum gb energy = 1.1669746330544772 eV
minimum distance =  2.37210206103832 Angstroms
sigma value = 41


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

Energy: 1.5358921013784594
Energy: 1.526054623653236
Energy: 1.5786716867561688
Energy: 1.5058579941136798
Energy: 1.5207264874508657
Energy: 1.5105308725283917
Energy: 1.6662238476380362
Energy: 1.519918055976755
Energy: 1.5227201355959874
Energy: 1.5308394590354244
Energy: 1.5177289933784053
Energy: 1.5019078978308813
Energy: 1.6648866085560676
Energy: 1.4827910783508813
Energy: 1.4803862160940324
Energy: 1.5251995792836
Energy: 1.4854560014688807
Energy: 1.505243604932603
Energy: 1.520946384221315
Energy: 1.4824900639275094
Energy: 1.481340749561128
Energy: 1.5207118237006263
Energy: 1.482727159602635
Energy: 1.5294668842956014
Energy: 1.5271281085639037
Energy: 1.5144430154257669
Energy: 1.5218854938478454
Energy: 1.5293270389482763
Energy: 1.5162464978242463
Energy: 1.5012334082806065
Energy: 1.4862173329585284
Energy: 1.5151109458705232
Energy: 1.4995432832016187
Energy: 1.4809381485101898
Energy: 1.5146650386321505
Energy: 1.4991353620469208
Energy: 1.5983425886354619
Energy: 1.5290474842636652
Energy: 1.5187717588582157
Energy: 1.5025195446478006
Energy: 1.5288892592050787
Energy: 1.4952275680846339
Energy: 1.5951782900560627
Energy: 1.5018449134482983
Energy: 1.500350074175789
Energy: 1.5025846862946943
Energy: 1.499203010023881
Energy: 1.5004336069276991
Energy: 1.4856896658910566
Energy: 1.5011632787164237
Energy: 1.4966481213985847
Energy: 1.4902558495533589
Energy: 1.5044400758282024
Energy: 1.4958948313669533
Energy: 1.5089084878439496
Energy: 1.501299150371902
Energy: 1.4976645442726852
Energy: 1.5045471390247338
Energy: 1.5073989406147115
Energy: 1.4970017556758102
Energy: 1.511068590034371
Energy: 1.5223034333415455
Energy: 1.5335944997241977
Energy: 1.5133636409936415
Energy: 1.5140228954869337
Energy: 1.5291076649201143
Energy: 1.7120571472366533
Energy: 1.4896615917162506
Energy: 1.4928110206536382
Energy: 1.5166658324027065
Energy: 1.4925594277634326
Energy: 1.490159680343715
Energy: 1.716694708302958
Energy: 1.5282214934109746
Energy: 1.5291681932501995
Energy: 1.5205762855396543
Energy: 1.5286270691790533
Energy: 1.499934565778962
Energy: 1.4741500758182629
Energy: 1.5171570868327853
Energy: 1.4910925642949748
Energy: 1.4740380912636242
Energy: 1.5166025941148071
Energy: 1.4890641783991596

minimum gb energy = 1.4740380912636242 eV
minimum distance =  2.36351029900018 Angstroms
sigma value = 11


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

Energy: 1.8143068884286133
Energy: 1.846635762481924
Energy: 1.8405231770580572
Energy: 1.7443437565622935
Energy: 1.8470478646779465
Energy: 1.8491579498929476
Energy: 2.0387518223158456
Energy: 1.731974920825417
Energy: 1.7249444054281056
Energy: 1.732678786628073
Energy: 1.739332244312151
Energy: 1.7316030390186103
Energy: 2.0498220400322253
Energy: 1.7109478858695653
Energy: 1.7099902918840064
Energy: 1.7380351595698027
Energy: 1.7124054341225623
Energy: 1.7366512593418622
Energy: 1.7681748547587366
Energy: 1.710903418377654
Energy: 1.7348978356246298
Energy: 1.7379466215683423
Energy: 1.7114252521549913
Energy: 1.7333226039204228
Energy: 1.7636932658919233
Energy: 1.727727617233351
Energy: 1.7238967621567816
Energy: 1.7336507444315918
Energy: 1.722821232597942
Energy: 1.723126133534469
Energy: 1.7671957433336616
Energy: 1.7053603634508305
Energy: 1.7048568695512776
Energy: 1.7246199505055289
Energy: 1.70716135872456
Energy: 1.7048959029583766
Energy: 1.7793388123374088
Energy: 1.7061265826546923
Energy: 1.705161376203017
Energy: 1.7071389932555214
Energy: 1.6999224803405286
Energy: 1.7046312666522323
Energy: 1.9015300675372835
Energy: 1.7221615675261566
Energy: 1.7241405692143534
Energy: 1.723434339216684
Energy: 1.7303977331980498
Energy: 1.724017353278998
Energy: 1.7523342134519173
Energy: 1.7363876811689514
Energy: 1.7360478469019578
Energy: 1.704480954921015
Energy: 1.7374757131953167
Energy: 1.7178413714499863
Energy: 1.7518894618399932
Energy: 1.736265720886529
Energy: 1.7356023868081611
Energy: 1.703618532644445
Energy: 1.7373253045822543
Energy: 1.7176465117781408
Energy: 1.8430225119099293
Energy: 1.7353566835833807
Energy: 1.729875432118137
Energy: 1.7275545311793068
Energy: 1.7503826620881942
Energy: 1.7315028064796385
Energy: 1.7903637706912265
Energy: 1.7060109074543692
Energy: 1.7048038163281116
Energy: 1.7619244393311921
Energy: 1.6981003425481678
Energy: 1.705569930898665
Energy: 1.7765299285751694
Energy: 1.718459454656364
Energy: 1.7187688072235232
Energy: 1.7468259931317567
Energy: 1.7194489800927926
Energy: 1.7315200221881681
Energy: 1.7645557682389585
Energy: 1.719713580282343
Energy: 1.718539881196849
Energy: 1.7127661238677088
Energy: 1.717687810106047
Energy: 1.7185965375528378
Energy: 1.7767739562159492
Energy: 1.7201672651736264
Energy: 1.7177666461773637
Energy: 1.7214557812154203
Energy: 1.71939714737502
Energy: 1.7187029176868311
Energy: 1.8739131599948533
Energy: 1.719627865018128
Energy: 1.718663625222697
Energy: 1.7183156724593645
Energy: 1.7174448953554728
Energy: 1.7201416976653545
Energy: 1.77558373715304
Energy: 1.7184506874692065
Energy: 1.7197416922771855
Energy: 1.7268783838603126
Energy: 1.7183332484360372
Energy: 1.7187603121285695
Energy: 1.7598785217556792
Energy: 1.7844023773186373
Energy: 1.7509825239825931
Energy: 1.7202405727261854
Energy: 1.7535515112464597
Energy: 1.6963617188707418
Energy: 1.7607926330725712
Energy: 1.7181335455146551
Energy: 1.7199377887296465
Energy: 1.7667956187574028
Energy: 1.718383026896587
Energy: 1.7182186568108857
Energy: 1.785629148228611
Energy: 1.7117703188585556
Energy: 1.7103895867962877
Energy: 1.7625052819847067
Energy: 1.7129489558285664
Energy: 1.7462301554759811
Energy: 1.93959522825163
Energy: 1.7108599268033318
Energy: 1.7405511675993126
Energy: 1.7601613798623696
Energy: 1.7110839299802323
Energy: 1.7387922522685297
Energy: 1.8210115243251885
Energy: 1.7403819643873055
Energy: 1.7396708989306267
Energy: 1.7351443495895977
Energy: 1.7483549578730522
Energy: 1.744705327502765
Energy: 1.7776201791955493
Energy: 1.7650772599310252
Energy: 1.7308955517504336
Energy: 1.7051985926405477
Energy: 1.751441607765763
Energy: 1.7181742701365237
Energy: 1.9598812563897476
Energy: 1.743666996524339
Energy: 1.7182775892482285
Energy: 1.7186113089071102
Energy: 1.764900551967754
Energy: 1.7182899899230777
Energy: 1.842367611482628
Energy: 1.7193178724806684
Energy: 1.7178756493291574
Energy: 1.783971482315835
Energy: 1.7175348380211033
Energy: 1.713839278336089
Energy: 1.7658390000781923
Energy: 1.71944596637333
Energy: 1.7207930079646216
Energy: 1.7191292509087361
Energy: 1.7177585569554998
Energy: 1.7194192639970902
Energy: 1.767021255358093
Energy: 1.7180886911805866
Energy: 1.7208100393570722
Energy: 1.7184203547407322
Energy: 1.7176527221043567
Energy: 1.7184882438128817
Energy: 1.762764167483819
Energy: 1.7179100706053563
Energy: 1.72055491511115
Energy: 1.7187139751910603
Energy: 1.7193047058214694
Energy: 1.7177799415666302
Energy: 1.7732990412159686
Energy: 1.7106400651767137
Energy: 1.7094308081459157
Energy: 1.7546040389710431
Energy: 1.7123326535130718
Energy: 1.7087820021938878
Energy: 2.056439884503475
Energy: 1.7701008091911201
Energy: 1.71866074489068
Energy: 1.7193291244129523
Energy: 1.7467213353024955
Energy: 1.7167951875365528
Energy: 1.777411304948422
Energy: 1.745329926347566
Energy: 1.7230080652364017
Energy: 1.7028970558083745
Energy: 1.7328744469978092
Energy: 1.7153114628474875

minimum gb energy = 1.6963617188707418 eV
minimum distance =  2.33736456041018 Angstroms
sigma value = 57


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

Energy: 2.6035000944191586
Energy: 1.9036182697946586
Energy: 1.9014712067932251
Energy: 1.9105050207614658
Energy: 1.9033444977548695
Energy: 1.9012471957074428
Energy: 2.0861539630482526
Energy: 1.838994150780919
Energy: 1.839629486534462
Energy: 1.8420407263293193
Energy: 1.8409063749641648
Energy: 1.8399155887883292
Energy: 2.0969528311011754
Energy: 1.8172194620661366
Energy: 1.8167138125975975
Energy: 1.9007529515649741
Energy: 1.8185730471129327
Energy: 1.8431471883655823
Energy: 1.9179384399393973
Energy: 1.8388959152323678
Energy: 1.8366961521985026
Energy: 1.8394160831703559
Energy: 1.821628417426724
Energy: 1.837853848746616
Energy: 1.8883804597104838
Energy: 1.8422384440478397
Energy: 1.8378607014153134
Energy: 1.8400612315931604
Energy: 1.8384698436764413
Energy: 1.8366967972908417
Energy: 1.9095150154142462
Energy: 1.8388293834674347
Energy: 1.8376228602692342
Energy: 1.8398459387933777
Energy: 1.8413057301359035
Energy: 1.836823808102365
Energy: 1.9219475010663374
Energy: 1.8192042800962371
Energy: 1.8193659543501164
Energy: 1.8432664831351055
Energy: 1.8214891316418518
Energy: 1.8363526648651567
Energy: 2.0974140292199253
Energy: 1.8421389138355717
Energy: 1.8407111720442257
Energy: 1.8391556443144064
Energy: 1.8392642338865874
Energy: 1.8397646181569725
Energy: 1.9312234097558734
Energy: 1.8418434520767604
Energy: 1.8223267388462998
Energy: 1.8262189062517804
Energy: 1.8397051446240948
Energy: 1.8225650949566916
Energy: 1.9279773388368209
Energy: 1.8410362868560572
Energy: 1.8221011827218754
Energy: 1.826208764216044
Energy: 1.8387898532739901
Energy: 1.8223713649724735
Energy: 2.0833859522608456
Energy: 1.8392454904393307
Energy: 1.8373860729594162
Energy: 1.903866444220704
Energy: 1.8402079019191726
Energy: 1.8359241127942718
Energy: 1.9414278191863208
Energy: 1.8169904031331077
Energy: 1.81619457133686
Energy: 1.8394102460196997
Energy: 1.8185455897818237
Energy: 1.8435804446997897
Energy: 1.889903344706315
Energy: 1.843318191010918
Energy: 1.8391017603763238
Energy: 1.8413755541331578
Energy: 1.8394200370685565
Energy: 1.8376728311702129
Energy: 1.9145886810147081
Energy: 1.8387819983674556
Energy: 1.8377917471019851
Energy: 1.8402758433846924
Energy: 1.8407956593913193
Energy: 1.8369756925372995
Energy: 1.88245969743586
Energy: 1.821092919687821
Energy: 1.8361900645674472
Energy: 1.8408034670244542
Energy: 1.8195496985682695
Energy: 1.8359533836370756
Energy: 2.1083875792771503
Energy: 1.8211561610971165
Energy: 1.8205821830086821
Energy: 1.8407819324232486
Energy: 1.8254724090746288
Energy: 1.8362969859498228
Energy: 1.9025472762072622
Energy: 1.8394577628892383
Energy: 1.8394658235777561
Energy: 1.8268897739612167
Energy: 1.840882556743711
Energy: 1.8403604756635297

minimum gb energy = 1.81619457133686 eV
minimum distance =  2.33732864279447 Angstroms
sigma value = 9


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

Energy: 2.059385487598201
Energy: 1.9808267384423581
Energy: 1.9134028385513626
Energy: 1.9374092366955458
Energy: 1.9390294675726016
Energy: 1.9137269233827485
Energy: 2.0357076234631184
Energy: 1.8769171694583693
Energy: 1.877775979880149
Energy: 1.8752906276323233
Energy: 1.8790509125953903
Energy: 1.8882820378549225
Energy: 2.033385189180682
Energy: 1.9404967993231812
Energy: 1.891827370904391
Energy: 1.911703435430083
Energy: 1.93735078074551
Energy: 1.8909511707893267
Energy: 1.876779222250284
Energy: 1.898488603745926
Energy: 1.8870507967621635
Energy: 1.8982462709127057
Energy: 1.8580670367702699
Energy: 1.8847905845413322
Energy: 1.87653177514238
Energy: 1.846566105996172
Energy: 1.8472447696009886
Energy: 1.876137535445626
Energy: 1.8460621358594789
Energy: 1.8489547952958072
Energy: 1.8738440349808725
Energy: 1.845139187341002
Energy: 1.8434499791250623
Energy: 1.8538914294878766
Energy: 1.8501401046182344
Energy: 1.8433298971724892
Energy: 1.9036018933766972
Energy: 1.9551694974940967
Energy: 1.9016347440174577
Energy: 1.8379037886850949
Energy: 1.9602561026310699
Energy: 1.9023632153488232
Energy: 2.060872327647611
Energy: 1.8488468683623855
Energy: 1.8453641037927238
Energy: 1.8443827997405955
Energy: 1.8463711827168234
Energy: 1.8451938911131658
Energy: 2.0171462069810717
Energy: 1.844813801293374
Energy: 1.8440906994658133
Energy: 1.9110561665858203
Energy: 1.8458046734975468
Energy: 1.8874858687292608
Energy: 2.0137142803099537
Energy: 1.8446365396058197
Energy: 1.84413552002605
Energy: 1.9114938119139349
Energy: 1.8468814306405197
Energy: 1.8444800448923748
Energy: 2.064189567274894
Energy: 1.8618560135163362
Energy: 1.8603853453592982
Energy: 1.8449154279318287
Energy: 1.8467431251671158
Energy: 1.8588673840152952
Energy: 2.001622059126456
Energy: 1.889267339247343
Energy: 1.887520726895399
Energy: 1.8792672587571653
Energy: 1.8851622592248025
Energy: 1.8884256846770209
Energy: 1.9945335882302266
Energy: 1.8915910942120537
Energy: 1.8912971201981201
Energy: 1.9644570822311367
Energy: 1.8585670224057331
Energy: 1.9341105678945298
Energy: 1.9989299614594982
Energy: 1.8937387750170989
Energy: 1.89114263044113
Energy: 1.9087599219067188
Energy: 1.892284097896135
Energy: 1.8842944773055645
Energy: 1.9987166867403292
Energy: 1.841323852032125
Energy: 1.8413936062440264
Energy: 1.8850321614096475
Energy: 1.8433920869265608
Energy: 1.8752958253060608
Energy: 1.9689830327773032
Energy: 1.9043244518232958
Energy: 1.8405353772949231
Energy: 1.861398072735983
Energy: 1.9077403959529398
Energy: 1.8407513495844536
Energy: 1.9492283463617084
Energy: 1.8868773804582715
Energy: 1.8854102970777809
Energy: 1.910886998583915
Energy: 1.8901715588989838
Energy: 1.8875421234613379
Energy: 1.9449040290605595
Energy: 1.8581639383214557
Energy: 1.8605314791770162
Energy: 1.9347166875751283
Energy: 1.8779874282763096
Energy: 1.931220480264804
Energy: 1.9810697567458644
Energy: 1.943923067362604
Energy: 1.9408723118629971
Energy: 1.937349839715696
Energy: 1.9026669106231289
Energy: 1.9347812487444405
Energy: 1.9784144326067055
Energy: 1.9422269298043071
Energy: 1.9373446624426438
Energy: 1.9376848055733824
Energy: 1.9330289064623871
Energy: 1.8911096259955527
Energy: 2.0024772511746223
Energy: 1.8771600009887845
Energy: 1.8807142624451627
Energy: 1.843062526031734
Energy: 1.8797582639203216
Energy: 1.8812071973559092

minimum gb energy = 1.8379037886850949 eV
minimum distance =  2.30880183143574 Angstroms
sigma value = 27


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

Energy: 2.276527266204997
Energy: 1.858625897731639
Energy: 1.8594910098504083
Energy: 1.866244643028797
Energy: 1.8842751615716764
Energy: 1.9168656571160863
Energy: 2.168310228200849
Energy: 1.8578933784858849
Energy: 1.8552398977697104
Energy: 1.858691218089792
Energy: 1.8576364361562245
Energy: 1.8531281120637297
Energy: 2.1665003315959583
Energy: 1.896625479201263
Energy: 1.8625105040514411
Energy: 1.863258606854491
Energy: 1.9080597576246814
Energy: 1.89352452409662
Energy: 2.1291927779154194
Energy: 1.8676139634314635
Energy: 1.9426520806916143
Energy: 1.9493753763614603
Energy: 1.8595467358703985
Energy: 1.863745267435418
Energy: 1.9074191339887065
Energy: 1.8509949297570731
Energy: 1.9407872878489545
Energy: 1.9093856674876473
Energy: 1.8443123948902018
Energy: 1.866926143038034
Energy: 2.1023656550839016
Energy: 1.8357097707095658
Energy: 1.9531937478017225
Energy: 1.9736431739944433
Energy: 1.8404829188899567
Energy: 1.834735546366635
Energy: 2.112990133654825
Energy: 1.8289918873725264
Energy: 1.8284930852934662
Energy: 1.846083423116289
Energy: 1.831193643934159
Energy: 1.830030328698141
Energy: 2.0888283341986873
Energy: 1.8314973932649272
Energy: 1.9717881932525774
Energy: 1.9360130908262407
Energy: 1.83562788891437
Energy: 1.9702268494067494
Energy: 2.1286378081822233
Energy: 1.9546732379794205
Energy: 1.9538506254796297
Energy: 1.9558941059646622
Energy: 1.9591533018029559
Energy: 1.9515464669275535
Energy: 2.1288126750052134
Energy: 1.9569185907188085
Energy: 1.956487629361307
Energy: 1.9564476827902846
Energy: 1.9704903040343313
Energy: 1.9556137898446735
Energy: 2.089546850248385
Energy: 1.9432228601384043
Energy: 1.9401055411749961
Energy: 1.9369293764442614
Energy: 1.901855350179035
Energy: 1.9352606465609137
Energy: 2.0975492124544854
Energy: 1.96965096510635
Energy: 1.9675062266513093
Energy: 1.97794469217122
Energy: 1.9738338917377352
Energy: 1.9686715293857644
Energy: 1.8538814154211078
Energy: 1.9689420145185903
Energy: 1.8288685737739576
Energy: 1.8381024979626932
Energy: 1.9555040988611265
Energy: 1.827934117906776
Energy: 1.843131153808771
Energy: 1.9414204002475386
Energy: 1.9549720114112368
Energy: 1.8458523974321182
Energy: 1.9394316856996303
Energy: 1.8274301144641438
Energy: 2.1069660966100634
Energy: 1.9739301650707148
Energy: 1.9720897463411438
Energy: 1.97509980133129
Energy: 1.9724954493658426
Energy: 1.9730533677745217
Energy: 2.068361312154127
Energy: 1.9687230835167218
Energy: 1.968905286526182
Energy: 1.958337395662561
Energy: 1.9702052843575002
Energy: 1.9694661603354633
Energy: 1.9111842370856842
Energy: 1.9386286137147994
Energy: 1.9412476052137029
Energy: 1.912107159485841
Energy: 1.9398384616123454
Energy: 1.9471208695437607
Energy: 2.047155769563435
Energy: 1.955253654355497
Energy: 1.9549076319574807
Energy: 1.962807564399607
Energy: 1.8392038533125141
Energy: 1.9528541668476218
Energy: 2.0705745876134976
Energy: 1.8337925033400073
Energy: 1.8318846328469691
Energy: 1.9388404179706524
Energy: 1.8362688813238577
Energy: 1.831213322243481
Energy: 2.1664248840980362
Energy: 1.8335070000032143
Energy: 1.8314547626018316
Energy: 1.8475963061568643
Energy: 1.8357267885073527
Energy: 1.8308206061803711
Energy: 2.053492728810402
Energy: 1.9579641696354861
Energy: 1.9533842479232444
Energy: 1.9626507796659767
Energy: 1.9596877600893268
Energy: 1.9538029353757675
Energy: 1.9131451209162813
Energy: 1.8679405774083797
Energy: 1.953029652700032
Energy: 1.9135285938389521
Energy: 1.8944981246181885
Energy: 1.8659739593170146
Energy: 2.1672698876348537
Energy: 1.8666246442028194
Energy: 1.851877588738434
Energy: 1.8538512387764263
Energy: 1.8612278354091496
Energy: 1.8645523479434984
Energy: 2.1660442000972324
Energy: 1.8756039008681564
Energy: 1.871603610461938
Energy: 1.8562023157586665
Energy: 1.8746212669320852
Energy: 1.8402781352990596
Energy: 2.0273816127268156
Energy: 1.867995206940216
Energy: 1.8650136635741925
Energy: 1.845934210160643
Energy: 1.8549697466654007
Energy: 1.886828410610574

minimum gb energy = 1.8274301144641438 eV
minimum distance =  2.26866246083587 Angstroms
sigma value = 19


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

Energy: 1.9529859353746528
Energy: 1.781902166291268
Energy: 1.8370180034206876
Energy: 1.7972828459195571
Energy: 1.7549483899622758
Energy: 1.8769730654691315
Energy: 1.9997569850953396
Energy: 1.8236776587678944
Energy: 1.822361196993232
Energy: 1.8189807895100396
Energy: 1.7698615753844973
Energy: 1.8225417302485978
Energy: 1.932902510876913
Energy: 1.813482453920357
Energy: 1.8060064034274803
Energy: 1.7775675432854767
Energy: 1.8044601950136168
Energy: 1.804809242750024
Energy: 1.8915911575441204
Energy: 1.8212553513150096
Energy: 1.8171847429144732
Energy: 1.8175628763301654
Energy: 1.8214588090449713
Energy: 1.8163862935488981
Energy: 1.8870219443754197
Energy: 1.7761690263661345
Energy: 1.7931417103434375
Energy: 1.8201619203404658
Energy: 1.7837715114095998
Energy: 1.7957437944365555
Energy: 1.8917751273849959
Energy: 1.8222349971909808
Energy: 1.8194721246374954
Energy: 1.7225133703300723
Energy: 1.8253446198010066
Energy: 1.819019966168927
Energy: 1.8903663846578194
Energy: 1.8037307136122298
Energy: 1.8050862147456446
Energy: 1.7624060200246703
Energy: 1.8023673027551657
Energy: 1.791456211515521
Energy: 1.8810703992864626
Energy: 1.8007915171381514
Energy: 1.8226500879276344
Energy: 1.7531288608846236
Energy: 1.8016676426296676
Energy: 1.8227846602797921
Energy: 1.8695025674801864
Energy: 1.8033651835166291
Energy: 1.8023179264407083
Energy: 1.7263628549359669
Energy: 1.8059985215724708
Energy: 1.8016432814522456
Energy: 1.8650100093917026
Energy: 1.806095990861325
Energy: 1.8027887800040956
Energy: 1.7464856332343994
Energy: 1.8043987125778893
Energy: 1.8020198191338
Energy: 1.8829663520483158
Energy: 1.7782257846456977
Energy: 1.7776784928721616
Energy: 1.8037992757289403
Energy: 1.7825444417671708
Energy: 1.7845216394333614
Energy: 1.9059897156082424
Energy: 1.8086451664062424
Energy: 1.8053703977592621
Energy: 1.8054783375218548
Energy: 1.7944251706622742
Energy: 1.8046523980159899
Energy: 1.9062637823245092
Energy: 1.7574983002843128
Energy: 1.7917766297747457
Energy: 1.8101413294348796
Energy: 1.7585813553202092
Energy: 1.8009908342997976
Energy: 1.971484509843552
Energy: 1.8047990496711268
Energy: 1.8053532382218256
Energy: 1.7844895925413293
Energy: 1.719777385161213
Energy: 1.8055549040050565
Energy: 1.9046443269228468
Energy: 1.7707774805149956
Energy: 1.769143901615627
Energy: 1.7872354575718643
Energy: 1.7836674991701782
Energy: 1.768401766557165
Energy: 1.9026176812854847
Energy: 1.793572596702391
Energy: 1.7899042373513652
Energy: 1.787190889206269
Energy: 1.7872029636325317
Energy: 1.7890188081744542
Energy: 1.8844263401926489
Energy: 1.8008168693947042
Energy: 1.8005662843840282
Energy: 1.7646821541246283
Energy: 1.7927512767423968
Energy: 1.8006345459927713
Energy: 1.9305109305856067
Energy: 1.7879769854529108
Energy: 1.7913429851936389
Energy: 1.7233887859658013
Energy: 1.761716155835421
Energy: 1.7916143513443177
Energy: 1.9000221058001843
Energy: 1.8018708483645758
Energy: 1.801900809088919
Energy: 1.7969238257317384
Energy: 1.8129119427117975
Energy: 1.7618958995564553
Energy: 1.8419968175904722
Energy: 1.8016662147399214
Energy: 1.8018394331791199
Energy: 1.7624795960191033
Energy: 1.8017222203882426
Energy: 1.770193357114286
Energy: 1.8477826995203495
Energy: 1.7867972380583526
Energy: 1.7873795537958614
Energy: 1.7873817924931845
Energy: 1.7916604557649716
Energy: 1.788050712958108
Energy: 1.8474824566406896
Energy: 1.8093780297281743
Energy: 1.8065884304535198
Energy: 1.8164042471796782
Energy: 1.8049898197350538
Energy: 1.8070943318736075
Energy: 1.8483805547994447
Energy: 1.7825357802027075
Energy: 1.785132300238188
Energy: 1.7190678733037759
Energy: 1.783212921155458
Energy: 1.7241417325679715
Energy: 1.911054094123062
Energy: 1.7822879702426588
Energy: 1.7858723676170103
Energy: 1.718197450472797
Energy: 1.7830571543006797
Energy: 1.7863318407663435
Energy: 1.9131268426264523
Energy: 1.806193624455399
Energy: 1.8102905968234395
Energy: 1.8138846982700167
Energy: 1.8014243085516302
Energy: 1.8100306063960891
Energy: 1.8912643489002123
Energy: 1.799317858744111
Energy: 1.8028060678871403
Energy: 1.8254692079160717
Energy: 1.7989864053106093
Energy: 1.8110231213887449
Energy: 1.910263154374345
Energy: 1.8038135672523412
Energy: 1.8058974642452528
Energy: 1.8026096070246003
Energy: 1.8048165379933738
Energy: 1.8061819608353977
Energy: 1.9331634247910399
Energy: 1.8298367912236007
Energy: 1.8269063460599475
Energy: 1.8200361709575832
Energy: 1.8270140607721654
Energy: 1.8251421078782273
Energy: 1.9282753367424963
Energy: 1.753016031647063
Energy: 1.8038906724135328
Energy: 1.7827071229069251
Energy: 1.7531674473999188
Energy: 1.7833081947618683

minimum gb energy = 1.718197450472797 eV
minimum distance =  2.31185672287725 Angstroms
sigma value = 101


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

Energy: 2.8775046600126797
Energy: 1.7151289951388657
Energy: 1.7140276794380525
Energy: 1.6836456869392153
Energy: 1.7202300190499817
Energy: 1.6826847153591236
Energy: 1.8812511084778172
Energy: 1.7196454326266046
Energy: 1.7175994196739384
Energy: 1.7252907771667132
Energy: 1.7078294363258577
Energy: 1.717041774745646
Energy: 1.8819235457657246
Energy: 1.7159989073191666
Energy: 1.7080215077447103
Energy: 1.715214871828439
Energy: 1.7175270178386577
Energy: 1.7056374311198252
Energy: 1.826561749258902
Energy: 1.7153042898317425
Energy: 1.7116186079509808
Energy: 1.7168214812929952
Energy: 1.721711200910996
Energy: 1.7110961433077116
Energy: 1.8033602494877825
Energy: 1.7118611420153507
Energy: 1.713338310524352
Energy: 1.7126410111860504
Energy: 1.719623219858822
Energy: 1.7190788732999465
Energy: 1.8212304213336858
Energy: 1.7166434940207105
Energy: 1.7135959480184535
Energy: 1.7143639183155144
Energy: 1.7221800375304388
Energy: 1.7131294629059934
Energy: 1.778620606366892
Energy: 1.7109865547144163
Energy: 1.7025772588846189
Energy: 1.7339132120724332
Energy: 1.7107054734409688
Energy: 1.7008275161709587
Energy: 1.8083358929972537
Energy: 1.7193962372374214
Energy: 1.719186687258354
Energy: 1.7010469135923063
Energy: 1.7183817534220465
Energy: 1.7187841929053418
Energy: 1.790043912924995
Energy: 1.7158911477318
Energy: 1.7104774550347497
Energy: 1.7158439215566623
Energy: 1.7056974597801984
Energy: 1.7095553610029004
Energy: 1.7951564815096681
Energy: 1.715985130643616
Energy: 1.7126283830416806
Energy: 1.7156045191888847
Energy: 1.7210789902869879
Energy: 1.7120397700250223
Energy: 1.8267228655412624
Energy: 1.683878883792648
Energy: 1.6840432614736771
Energy: 1.7064211321266767
Energy: 1.7137171706636738
Energy: 1.6918594011119354
Energy: 1.854681389267593
Energy: 1.7176159676601155
Energy: 1.7143436503261613
Energy: 1.7156974315093525
Energy: 1.7114686857712107
Energy: 1.714142600132639
Energy: 1.8167213043313155
Energy: 1.7189539040826094
Energy: 1.7348330453812932
Energy: 1.7147964798100694
Energy: 1.7199414192084073
Energy: 1.7126283544552643
Energy: 1.8143253575650509
Energy: 1.7179896568759554
Energy: 1.7175503902741818
Energy: 1.7090770281716823
Energy: 1.7110900467479966
Energy: 1.7184727636093402
Energy: 1.8538756072614173
Energy: 1.7255613017472813
Energy: 1.7024357583573715
Energy: 1.715885096614988
Energy: 1.7270891437648908
Energy: 1.7153874245032097
Energy: 1.8822236815070943
Energy: 1.715585053912015
Energy: 1.712373657883402
Energy: 1.7171221908488215
Energy: 1.7137553188210881
Energy: 1.7116524579058574
Energy: 1.8151056673740258
Energy: 1.7254306630588243
Energy: 1.7107166048489153
Energy: 1.7091990511441568
Energy: 1.7233702888758693
Energy: 1.7063933593849157
Energy: 1.9326569412352035
Energy: 1.704357167280233
Energy: 1.7186846197023204
Energy: 1.7131174536346503
Energy: 1.7054751161470485
Energy: 1.7130756948284307
Energy: 1.8813193414121159
Energy: 1.7209256898331775
Energy: 1.718477634797548
Energy: 1.705611865802651
Energy: 1.7185077340895751
Energy: 1.718681836393677
Energy: 1.8224530929814589
Energy: 1.7199959630509336
Energy: 1.7168045333276771
Energy: 1.7175093238239443
Energy: 1.7175471043903616
Energy: 1.7162854682362654
Energy: 1.803212179629761
Energy: 1.7042444179197354
Energy: 1.704680290373267
Energy: 1.7152245933676884
Energy: 1.7051094920178278
Energy: 1.7092229357234685
Energy: 1.8194653192032437
Energy: 1.7168249645862366
Energy: 1.7136272316224792
Energy: 1.7151087027239955
Energy: 1.7227883665944967
Energy: 1.713164262773656
Energy: 1.8181994938320565
Energy: 1.7070768270878884
Energy: 1.7061448998446755
Energy: 1.7010530540283393
Energy: 1.7056210573320354
Energy: 1.70555005048631
Energy: 1.8278976473536543
Energy: 1.7105941563664255
Energy: 1.7112286882656176
Energy: 1.7076501050343875
Energy: 1.7105793641069929
Energy: 1.7162957376964636
Energy: 1.7890212338039142
Energy: 1.7195118414440618
Energy: 1.716337629562082
Energy: 1.724684932396659
Energy: 1.7250696947002728
Energy: 1.7158690414941171
Energy: 1.7899233787654714
Energy: 1.7190396695219952
Energy: 1.7157486307983691
Energy: 1.7150061794598532
Energy: 1.7248924259755518
Energy: 1.7156213949064547
Energy: 1.8255667000360014
Energy: 1.7129998776463273
Energy: 1.7109045558887337
Energy: 1.703427723379946
Energy: 1.7144145918235867
Energy: 1.71242280469246
Energy: 1.8538853696269042
Energy: 1.716172782969552
Energy: 1.7139066092934265
Energy: 1.7162147336812765
Energy: 1.7184726071709757
Energy: 1.7190300788649777
Energy: 1.8183534858098935
Energy: 1.715614097167527
Energy: 1.7166853965006623
Energy: 1.7105945673480352
Energy: 1.7166312471762215
Energy: 1.7163876712678787
Energy: 1.8212439069846766
Energy: 1.7094703671090663
Energy: 1.708329674747186
Energy: 1.7093098121387649
Energy: 1.7140521056614413
Energy: 1.708868896409929
Energy: 1.8524081772552796
Energy: 1.7192427245148454
Energy: 1.716548630879627
Energy: 1.7152316164364538
Energy: 1.7200378982246127
Energy: 1.7164055511953058
Energy: 1.8815313837684484
Energy: 1.718711870312731
Energy: 1.7152827953643552
Energy: 1.7264328340295279
Energy: 1.7222084718769841
Energy: 1.7140912085831397
Energy: 1.8163511354125024
Energy: 1.7145748460626276
Energy: 1.701579640209295
Energy: 1.7102948817296337
Energy: 1.7127624637344026
Energy: 1.7445995637342793

minimum gb energy = 1.6826847153591236 eV
minimum distance =  2.29785064630771 Angstroms
sigma value = 33


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

Energy: 0.018434356779271716
Energy: 2.3300721319174955
Energy: 0.01939395931526049
Energy: 0.020962831358708165
Energy: 2.3342770367073045
Energy: 0.019358755130969137
Energy: 0.7330517629832752
Energy: 0.19007333133549506
Energy: 0.1876455600311643
Energy: 0.18932848225457416
Energy: 0.1882021990430004
Energy: 0.18756271691353482
Energy: 2.926717672011499
Energy: 2.3365303058175155
Energy: 2.333491504285355
Energy: 2.3383062564768684
Energy: 2.3378940551554743
Energy: 2.332190012004768
Energy: 0.01952511794969301
Energy: 0.19007333133376197
Energy: 0.18764556003205562
Energy: 0.18932848225373236
Energy: 0.18820219904344604
Energy: 0.18756271691308918

minimum gb energy = 0.018434356779271716 eV
minimum distance =  2.51381349258505 Angstroms
sigma value = 1