Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208
cohesive_energy=4.178986868850123
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=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01262163511216207
Energy: 0.24203243293648916
Energy: 0.24165554095715117
Energy: 0.2421929913087467
Energy: 0.24272753388834636
Energy: 0.01267893460208436
Energy: 0.24203243293744417
Energy: 1.0710897356020233
Energy: 0.2421477572442629
Energy: 0.2415694594858152
Energy: 0.24207034285935475
Energy: 0.24146726192936796
Energy: 0.24165554095619615
Energy: 0.24214775724379906
Energy: 1.0734333363117223
Energy: 0.012911615868790527
Energy: 0.24161966024367298
Energy: 0.2416008462971524
Energy: 0.2421929913087467
Energy: 0.24156945948532405
Energy: 0.012911615868790527
Energy: 0.012811630694003014
Energy: 0.24187612893929702
Energy: 0.24167376525301146
Energy: 0.24272753388834636
Energy: 0.24207034285935475
Energy: 0.24161966024320913
Energy: 0.2418761289397609
Energy: 1.0722225547200355
Energy: 0.24192798111966868
Energy: 0.012678934602575511
Energy: 0.24146726193032297
Energy: 0.24160084629619738
Energy: 0.24167376525347534
Energy: 0.24192798111966868
Energy: 0.012775158103529416

minimum gb energy = 0.01262163511216207 eV
minimum distance =  2.50023967625035 Angstroms
sigma value = 1


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

Energy: 1.9785288418413916
Energy: 1.4138016400647455
Energy: 1.42889026622447
Energy: 1.331415376779562
Energy: 1.4557236989266022
Energy: 1.4559483807443003
Energy: 1.69665869784434
Energy: 1.527442467144505
Energy: 1.3945907040754544
Energy: 1.5178302213670434
Energy: 1.3947311413910164
Energy: 1.563328967303654
Energy: 1.4731737891746772
Energy: 1.3796452185490138
Energy: 1.864469397758922
Energy: 1.4396708181051179
Energy: 1.3941367580390545
Energy: 1.388347637760954
Energy: 1.331461488519395
Energy: 1.3822423483330968
Energy: 1.6145243634089488
Energy: 2.2765916721340576
Energy: 1.3831379959561183
Energy: 1.4285895607389112
Energy: 1.4428082414633219
Energy: 1.4815640743401337
Energy: 1.3947114341971343
Energy: 1.6624220131654237
Energy: 1.5407211935039296
Energy: 1.426731202770368
Energy: 1.4435341616892374
Energy: 1.506294854952032
Energy: 1.5662755236024006
Energy: 1.4431501899339096
Energy: 1.4808211564113456
Energy: 1.477093739794675
Energy: 1.4427449630275255
Energy: 1.476733523168987
Energy: 1.518609917209719
Energy: 1.6587739969706943
Energy: 1.580452113361615
Energy: 1.4768277774564265
Energy: 1.6174577591613062
Energy: 1.7854061651091533
Energy: 1.7961187165661998
Energy: 1.610821670377786
Energy: 1.4859515109384125
Energy: 1.4869437133514651
Energy: 1.3023968518862088
Energy: 1.47745159004897
Energy: 1.4824085341079691
Energy: 1.649674829181112
Energy: 1.5401447676295215
Energy: 1.6956534742127838
Energy: 1.6531142949497721
Energy: 1.4838176340742724
Energy: 1.5658159635227709
Energy: 1.3545577897940297
Energy: 1.478238759427381
Energy: 1.7566923035603759
Energy: 1.529283325103524
Energy: 1.7180632480199494
Energy: 1.3996857834005958
Energy: 1.7099989792015269
Energy: 1.7240428090198816
Energy: 1.477511877168342
Energy: 1.3377688627539672
Energy: 1.359718637427308
Energy: 1.4460660106316552
Energy: 1.9242261806296264
Energy: 1.4788362071496042
Energy: 1.3375192696473033
Energy: 1.4358970604916637
Energy: 1.3879895922848757
Energy: 1.4455828314083936
Energy: 1.5714075643557583
Energy: 1.4787188642568971
Energy: 1.4598740612732135
Energy: 1.5191425477896325
Energy: 1.4308768732988826
Energy: 1.4160940361129233
Energy: 1.5168362398419593
Energy: 1.3947051552827645
Energy: 1.4230042245721042
Energy: 2.303504429008909
Energy: 1.3797160300528544
Energy: 1.4573654579498867
Energy: 1.3329929881640465
Energy: 1.3826895314216214
Energy: 1.5424300540542866
Energy: 1.3337250107303633
Energy: 1.4784290765217636
Energy: 1.379347031898952
Energy: 1.3457459893250134
Energy: 1.3791312088690937
Energy: 1.5387186489432239
Energy: 1.612258846728635
Energy: 1.4776447801939387
Energy: 1.477430357244542
Energy: 1.6145487467062498
Energy: 1.480793544520313
Energy: 1.3998702705153956
Energy: 1.3446643432792198
Energy: 1.5529906011081043
Energy: 1.4857691564486315
Energy: 2.289643295469423
Energy: 1.4849974296935977
Energy: 1.4874715972830974
Energy: 1.348473358720725
Energy: 1.5416395038400905
Energy: 1.4773582656608326
Energy: 1.4509381600924276
Energy: 1.477075677677764
Energy: 1.5432789812732637
Energy: 1.4467889804009193
Energy: 1.5754288147418667
Energy: 1.3597071306838415
Energy: 1.4490355482043555
Energy: 1.477595587859774
Energy: 1.7195057462473153
Energy: 1.6780569622153372
Energy: 1.5489570119671714
Energy: 1.5628487380880527
Energy: 1.959465712846537
Energy: 1.4929256936268023
Energy: 1.7288910380803826
Energy: 1.5165569079317183
Energy: 1.72037619239758
Energy: 1.698758595988909
Energy: 1.3046999515458189
Energy: 1.4776742839075006
Energy: 1.3937181465029078
Energy: 1.5732248508435414
Energy: 1.5272016647220814
Energy: 1.4264411588783887
Energy: 1.3452519380597168
Energy: 1.3452018278682312
Energy: 1.556243588807107

minimum gb energy = 1.3023968518862088 eV
minimum distance =  2.25524490061672 Angstroms
sigma value = 33


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

Energy: 2.6816840661863774
Energy: 1.4141669612837988
Energy: 1.404586016825037
Energy: 1.362819205850377
Energy: 1.4157177528596792
Energy: 1.645485127905066
Energy: 1.7033779088980894
Energy: 1.611756436693107
Energy: 1.4167100042806324
Energy: 1.4473386697528625
Energy: 1.4168221762748627
Energy: 1.5819489722141566
Energy: 1.6275376887676336
Energy: 1.5389120433221462
Energy: 1.5162692860630036
Energy: 1.5310447757950638
Energy: 1.5162976774477834
Energy: 1.610673254183769
Energy: 1.4402597316674963
Energy: 1.5686803772484672
Energy: 1.526336716126576
Energy: 1.7752269077620475
Energy: 1.5355081141132596
Energy: 1.4522740367716869
Energy: 1.4903517891978377
Energy: 1.4676114852178903
Energy: 1.6435527843053777
Energy: 1.6567480609232115
Energy: 1.8675216893476323
Energy: 1.5200300281922532
Energy: 1.633565403545164
Energy: 1.660212818091276
Energy: 1.6773408393271254
Energy: 1.5009994871558239
Energy: 1.6821307572590727
Energy: 1.9056994936093656
Energy: 1.6304754039087694
Energy: 1.831982551725505
Energy: 1.6750825236275515
Energy: 1.9177284308800668
Energy: 1.6764317073015311
Energy: 1.838734481620917
Energy: 1.4373869767833567
Energy: 1.8351967741222452
Energy: 1.9841864699990832
Energy: 1.5410108686252681
Energy: 1.8887200827325603
Energy: 1.5741858416242518
Energy: 1.5633949035901598
Energy: 1.5167210779272096
Energy: 1.505998088515907
Energy: 1.440063459651026
Energy: 1.497472155897406
Energy: 1.6430025447110834
Energy: 2.2654721723187152
Energy: 1.51497675137844
Energy: 1.6197513432691075
Energy: 1.590317066136604
Energy: 1.623235573426838
Energy: 1.5435702938385547
Energy: 1.4631516879325726
Energy: 1.4195872352091845
Energy: 1.5140269060225724
Energy: 1.5667877794512652
Energy: 1.5110807495278455
Energy: 1.425096304230471
Energy: 1.438432891161666
Energy: 1.4429181088408796
Energy: 1.440656556326229
Energy: 1.9077434353810814
Energy: 1.4359892512220902
Energy: 1.4464820148422366
Energy: 1.3863680269689038
Energy: 1.4012495846188449
Energy: 1.4468666051510912
Energy: 1.5105189753552717
Energy: 1.4360028350704053
Energy: 1.3972738534805775
Energy: 1.4785111113174012
Energy: 1.3792347008534358
Energy: 1.6072448958335075
Energy: 1.7350162594643221
Energy: 1.6587603403287996
Energy: 1.4384319849114857
Energy: 2.109917640399188
Energy: 1.6187746978083406
Energy: 1.7713769768267889
Energy: 1.685228771021273
Energy: 1.671570525097819
Energy: 1.6341937323041882
Energy: 1.5090549079788935
Energy: 1.6028827697793124
Energy: 1.669045138989509
Energy: 1.6643554670803866
Energy: 1.573940161062319
Energy: 1.667755593992196
Energy: 1.5029831843320667
Energy: 1.7858056007581147
Energy: 1.78220947460088
Energy: 1.4790179384070785
Energy: 1.9723954868227362
Energy: 1.6674230285645584
Energy: 1.6366280998434293
Energy: 1.6855201896181773
Energy: 1.659044080490591
Energy: 1.7195038139762884
Energy: 1.679682327778012
Energy: 1.8166695512567945
Energy: 1.592559506407948
Energy: 1.5951893463973257
Energy: 1.686814442479827
Energy: 1.5175364973959098
Energy: 1.6915563154432898
Energy: 1.7992279836560134
Energy: 1.4183975951639984
Energy: 1.3856452016607277
Energy: 1.4478182687287853
Energy: 1.5673666081101885
Energy: 1.4482334618395505
Energy: 1.465282828430717
Energy: 1.3701541901896228
Energy: 1.4669609778292765
Energy: 1.459660737197573
Energy: 1.733761005048101
Energy: 1.4616460481296292
Energy: 1.4733504506002104
Energy: 1.4719308652090992
Energy: 1.43723643638601
Energy: 1.4493179567618164
Energy: 1.6077742086534696
Energy: 1.4475470664886778
Energy: 1.4732585600252688
Energy: 1.7057552963220148
Energy: 1.497001438710343
Energy: 1.4649989230836884
Energy: 1.5196681202973958
Energy: 1.5646576323330805
Energy: 1.6907887681045586
Energy: 2.4705504920598993
Energy: 1.5266402171903606
Energy: 1.5437041735464085
Energy: 1.4938088873174122
Energy: 1.5615086499516122
Energy: 1.6210929600097672
Energy: 1.702173629373841
Energy: 1.4973047765959882
Energy: 1.560465825718035
Energy: 1.4009624882293206
Energy: 1.4763377275108571
Energy: 1.5738396612134757
Energy: 1.5227911073805835
Energy: 1.7371427395350039
Energy: 1.6535140179500922
Energy: 1.6185666505190968
Energy: 1.6225504941905453
Energy: 1.579542509412236
Energy: 1.90972563656531
Energy: 1.7079586030812053
Energy: 1.819954894376452
Energy: 1.9308677161393395
Energy: 1.6491818667150149
Energy: 1.7434253535444069
Energy: 1.5507661326916364
Energy: 1.8345160229102888
Energy: 1.8239568758839062
Energy: 1.4359598292911764
Energy: 1.8502456607678661
Energy: 1.9358256937698146
Energy: 1.4581300313897492
Energy: 1.5225455705112838
Energy: 1.748711363474948
Energy: 1.5476788565654074
Energy: 1.5238058481500878
Energy: 1.5276527658453907
Energy: 1.4558208982958967
Energy: 1.6622078783844636
Energy: 1.545414720180056
Energy: 2.269850020377492
Energy: 1.5399709735603049
Energy: 1.5376282586445629
Energy: 1.6337339955541823
Energy: 1.5532453018878025
Energy: 1.5245201443847733
Energy: 1.4445653778228307
Energy: 1.5240304521659902
Energy: 1.5818987561559181
Energy: 1.683446850003291
Energy: 1.4363744174671067
Energy: 1.4227526503050774
Energy: 1.4345847588464822
Energy: 1.4292137608229754
Energy: 1.701128804666127
Energy: 2.1257873787710047
Energy: 1.4154443187181385
Energy: 1.3713365556905157
Energy: 1.3576750591933548
Energy: 1.3774398277354685
Energy: 1.4944082183223286
Energy: 1.5998321934911413
Energy: 1.597793430691993
Energy: 1.3766489006093703
Energy: 1.377645431122862
Energy: 1.40320043711537
Energy: 1.6271428752744879
Energy: 1.6819505677105566
Energy: 1.6856268111172383
Energy: 1.6200239493100708
Energy: 1.89915479891493
Energy: 1.5951696750556192
Energy: 1.674467523531097
Energy: 1.6719806891367979
Energy: 1.6107445121720698
Energy: 1.6408986002381294
Energy: 1.489966338103578
Energy: 1.6103678645160908
Energy: 1.6312235334024567
Energy: 1.6402673667317167
Energy: 1.9743058510274263
Energy: 1.863560938395474
Energy: 1.4567818046555132
Energy: 1.9418224932942916
Energy: 1.9351201473546134
Energy: 1.6782872013826011
Energy: 1.6198157788783365
Energy: 1.600528424769642
Energy: 1.6704712723633568
Energy: 1.602883033494926
Energy: 1.6228203955951188
Energy: 1.618119889720998
Energy: 1.7106789706365062
Energy: 1.628145190534987
Energy: 2.0536160603245004
Energy: 1.62845826696661
Energy: 1.772579761291978
Energy: 1.6798002551159659
Energy: 1.5345883608308548
Energy: 1.4066619314049997
Energy: 1.370203283733094
Energy: 1.3561455558902893
Energy: 1.5344634952831873
Energy: 1.6292072773340747
Energy: 1.4220909518556197
Energy: 1.3594575604654962
Energy: 1.367972672822487
Energy: 1.4297487467032242
Energy: 1.5514773052759865

minimum gb energy = 1.3561455558902893 eV
minimum distance =  2.26929908872188 Angstroms
sigma value = 51


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

Energy: 2.4013149547168107
Energy: 1.5019603245414714
Energy: 1.5360684125020043
Energy: 1.4949832767066156
Energy: 1.547138013273014
Energy: 1.6254914074076672
Energy: 1.6891432587791937
Energy: 1.8575573319002723
Energy: 1.4967660824579858
Energy: 1.589355097953345
Energy: 1.5925815292523884
Energy: 1.8704800305727152
Energy: 1.6101139446171153
Energy: 1.4856833816708799
Energy: 1.9066561314968036
Energy: 1.6055439935899662
Energy: 1.5027575481579163
Energy: 1.5672296707440287
Energy: 1.4580887638625293
Energy: 1.4860435159512004
Energy: 1.5407441812886695
Energy: 2.0148568898922754
Energy: 1.521486920554578
Energy: 1.4913264172204728
Energy: 1.5191479492646247
Energy: 1.5503863811034577
Energy: 1.7173270351633667
Energy: 1.6901848860675843
Energy: 1.6995075329102325
Energy: 1.5505960384327278
Energy: 1.8060273526874842
Energy: 1.647654589539617
Energy: 1.6514193790066558
Energy: 1.54116511896814
Energy: 1.6489901205480915
Energy: 1.9284805902158986
Energy: 1.7849270262180732
Energy: 1.6475584266529704
Energy: 1.7147528077316112
Energy: 1.5966965178877357
Energy: 1.6491138525082076
Energy: 1.928667331715725
Energy: 1.8690196342587206
Energy: 1.6539319927116551
Energy: 1.8834086321819374
Energy: 1.6702617817243695
Energy: 1.844030823071713
Energy: 1.7067618767635078
Energy: 1.7579877176370227
Energy: 1.4954697204020222
Energy: 1.4820953592252983
Energy: 1.448061606449697
Energy: 1.4968554223877313
Energy: 2.0862992578579997
Energy: 2.3634371925061237
Energy: 1.5016102802349827
Energy: 1.5430585567304929
Energy: 1.560381744422256
Energy: 1.4955595158066577
Energy: 1.6320736161632514
Energy: 1.6095803559891142
Energy: 1.8845884085328346
Energy: 1.5930862530571026
Energy: 1.6922515306533987
Energy: 1.5923642224431387
Energy: 1.4979198616564
Energy: 1.6396907520577833
Energy: 1.4857077814280246
Energy: 1.5029653970263344
Energy: 1.9028726219883403
Energy: 1.5553647356824656
Energy: 1.5686613809949648
Energy: 1.4483183303867124
Energy: 1.4857131912240753
Energy: 1.5026668134384595
Energy: 2.0154755081772495
Energy: 1.5025712095737747
Energy: 1.4868109851277969
Energy: 1.6290711121229273
Energy: 1.9396054283793382
Energy: 1.7198161654792752
Energy: 1.6986760942653005
Energy: 1.7196495984715134
Energy: 1.5506052218922142
Energy: 1.9878446688745963
Energy: 1.6373857794138404
Energy: 1.719329284388825
Energy: 1.7092206329660478
Energy: 1.6501626089451855
Energy: 1.6379421442984463
Energy: 1.816544690016057
Energy: 1.636064309821885
Energy: 1.7678963830276995
Energy: 1.6321560648625864
Energy: 1.7673522165693805
Energy: 1.9471069404176742
Energy: 1.8718688920584345
Energy: 1.6864957642153198
Energy: 1.6575213008742704
Energy: 1.6551428742488137
Energy: 1.8441302935409203
Energy: 1.7069528414757305
Energy: 1.7584275450306306
Energy: 1.4953417267896874
Energy: 1.4825131777928366
Energy: 1.4485883320737643
Energy: 1.4959807765958182
Energy: 2.0871726054222295

minimum gb energy = 1.448061606449697 eV
minimum distance =  2.25787825757859 Angstroms
sigma value = 19


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

Energy: 2.20787299856373
Energy: 1.5262313021153058
Energy: 1.5261077356572517
Energy: 1.520341645454554
Energy: 1.5512211443740715
Energy: 1.6082997401304635
Energy: 1.7384961672414498
Energy: 1.8724195371071917
Energy: 1.5107966305970968
Energy: 1.5301930397785326
Energy: 1.5538795427857417
Energy: 1.6896771446263055
Energy: 1.7597721525520427
Energy: 1.677672483917792
Energy: 1.8765186296128205
Energy: 1.767910459564507
Energy: 1.6788938450014266
Energy: 1.7262255018880657
Energy: 1.6417879704612137
Energy: 1.682038138182563
Energy: 1.6785367953399972
Energy: 1.9712432893249519
Energy: 1.7236301238482457
Energy: 1.6783168713828374
Energy: 1.7385578588316646
Energy: 1.677272536142083
Energy: 1.670464631029544
Energy: 1.7766843687020752
Energy: 1.6967340092655818
Energy: 1.7668697381641019
Energy: 1.629559180586198
Energy: 1.6834060134181703
Energy: 1.86899243025188
Energy: 1.5459662168406503
Energy: 1.693818610467002
Energy: 1.758058537159637
Energy: 1.7089332999274733
Energy: 1.7046841869070017
Energy: 1.9334398957650858
Energy: 2.2247472832875417
Energy: 1.76593417577855
Energy: 1.7277223754764135
Energy: 1.8257958785303297
Energy: 1.7220225138453376
Energy: 1.8101823764981047
Energy: 1.5527883057228817
Energy: 2.0122769838203554
Energy: 1.7654966508026946
Energy: 1.6968796787223588
Energy: 1.5179110997332557
Energy: 1.5056686930164034
Energy: 1.506161806152733
Energy: 1.5555842439367993
Energy: 1.8126282236246578
Energy: 1.9878543105189024
Energy: 1.5576872801122352
Energy: 1.5537104842283387
Energy: 1.5064575997246805
Energy: 1.561243475638972
Energy: 1.8285206028947698
Energy: 1.5988311923363887
Energy: 1.7373438257845721
Energy: 1.551947693763198
Energy: 1.464603387493345
Energy: 1.552086758994926
Energy: 1.8049982964999849
Energy: 1.725116878187001
Energy: 1.7984803650965575
Energy: 1.8422919587433384
Energy: 1.643274447017904
Energy: 1.7603459445145693
Energy: 1.7584727839591268
Energy: 1.7013423821002511
Energy: 1.7661289259782567
Energy: 1.9123509303204331
Energy: 1.7732296657067834
Energy: 1.7401439843046573
Energy: 1.904638874517597
Energy: 1.6685959044252547
Energy: 1.8664732603288265
Energy: 1.924919707767482
Energy: 1.7025231156569163
Energy: 1.8942022305488793
Energy: 1.4842166689665164
Energy: 1.4413094581283632
Energy: 1.43970805724232
Energy: 1.875224876971876
Energy: 1.8881490089568798
Energy: 1.517589543749916
Energy: 1.4412705845213618
Energy: 1.5328547937999102
Energy: 1.5543306480419732
Energy: 1.6328914953818703
Energy: 1.844760079828176
Energy: 1.5608820447618494
Energy: 1.5482033213568633
Energy: 1.554915963237212
Energy: 1.5538877820471664
Energy: 1.6884266645746695
Energy: 1.6591545709841709
Energy: 1.8746356187481013
Energy: 1.5536403367875584
Energy: 1.8006299490665632
Energy: 1.6789813397004052
Energy: 1.708427021619418
Energy: 1.7747695841504862
Energy: 1.7661541302804578
Energy: 1.8752823493487674
Energy: 1.672027436053661
Energy: 1.6787473472599272
Energy: 1.6610595133393613
Energy: 1.6070223603326588
Energy: 1.7800919133841628
Energy: 1.8641646754395627
Energy: 1.5254173852390136
Energy: 1.6690190047757323
Energy: 1.8288617806341252
Energy: 1.70292024113164
Energy: 1.9570337899523007
Energy: 1.6738270347380724
Energy: 1.5711509090359732
Energy: 1.7388262415006377
Energy: 1.6985320643002342
Energy: 1.627083948772621
Energy: 1.6826959208369001
Energy: 1.804996153274148
Energy: 2.2186741175330935
Energy: 1.8111492951782202
Energy: 1.7309690128450321
Energy: 1.788017543437825
Energy: 1.7416310090230278
Energy: 1.9287871619717025
Energy: 1.6030018196448068
Energy: 1.810244760812718
Energy: 1.6884707670348238
Energy: 1.6947980820515074
Energy: 1.6887853685300807
Energy: 1.5645656785894124
Energy: 1.5372907184529814
Energy: 1.562058144539707
Energy: 1.7900792991501293
Energy: 1.9064898681459008
Energy: 1.5560530345051942
Energy: 1.5658233279371807
Energy: 1.4421434213983095
Energy: 1.5708325000632206
Energy: 1.5204263754878886
Energy: 1.650818008078851
Energy: 1.519275940253423
Energy: 1.4893295969899027
Energy: 1.619555885668656
Energy: 1.9010871319308622
Energy: 1.7670050653257154
Energy: 1.7620718096809804
Energy: 1.6874422953880703
Energy: 1.738545740387823
Energy: 1.9824321098065083
Energy: 1.8373343931110413
Energy: 1.7691080545034374
Energy: 1.7192748514074427
Energy: 1.7366000813075282
Energy: 1.8380450319204464
Energy: 1.7077282550456314
Energy: 1.7427562749675563
Energy: 1.813378543096638
Energy: 1.748534341375635
Energy: 1.751914180713722
Energy: 1.9366160954977072
Energy: 1.5552876924354422
Energy: 1.8737314100908162
Energy: 1.5669647679993222
Energy: 1.4844386494281103
Energy: 1.86630333591003
Energy: 1.87926611597696
Energy: 2.1672354926114417
Energy: 1.5555317235612829
Energy: 1.5116179504037988
Energy: 1.4996841287934977
Energy: 1.556913248279556
Energy: 1.6325594513775228

minimum gb energy = 1.43970805724232 eV
minimum distance =  2.24102402552592 Angstroms
sigma value = 27


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

Energy: 1.7975915017992892
Energy: 1.6776313131040117
Energy: 1.5922985361165054
Energy: 1.602489978586175
Energy: 1.5923317308976725
Energy: 1.8750269401959896
Energy: 1.3448077491896457
Energy: 1.552024107361915
Energy: 1.6084298761164877
Energy: 1.3480110845918853
Energy: 1.5534061464172844
Energy: 1.5597485196743395
Energy: 1.3220295468625458
Energy: 1.5530712845226708
Energy: 1.525621241520849
Energy: 1.3246233438182802
Energy: 1.5252422466181377
Energy: 1.6042266443793771
Energy: 1.4777060572236433
Energy: 1.5348579338837176
Energy: 1.5253060110299141
Energy: 1.5529938711685412
Energy: 1.5350979420987372
Energy: 1.5543922757261475
Energy: 1.3506649655223528
Energy: 1.52848359511281
Energy: 1.6497233116035572
Energy: 1.3018800785652958
Energy: 1.650919126654559
Energy: 1.6039829455633334
Energy: 1.5604460971861556
Energy: 1.6287125337200923
Energy: 1.7258375571081452
Energy: 1.6100994785409655
Energy: 1.7252202794088158
Energy: 1.624485582723407
Energy: 1.3522405387756047
Energy: 1.5927268235059067
Energy: 1.8801633186938962
Energy: 1.8072723858047772
Energy: 1.5404557769881717
Energy: 1.6023851214727063
Energy: 1.346688706588436
Energy: 1.60803879409679
Energy: 1.5519852663313163
Energy: 1.3409784406720366
Energy: 1.5522652282452474
Energy: 1.3224938590792186
Energy: 1.3210477281414004
Energy: 1.525250810927159
Energy: 1.5528833914846023
Energy: 1.3245099236269946
Energy: 1.5243983622666832
Energy: 1.5260097681689135
Energy: 1.5374040066354004
Energy: 1.563269799034323
Energy: 1.554457893974625
Energy: 1.6228576265360573
Energy: 1.534896071374737
Energy: 1.5252378387548444
Energy: 1.3007044606049545
Energy: 1.6491707938705709
Energy: 1.5506517459421736
Energy: 1.3509414053931943
Energy: 1.528224061907548
Energy: 1.8284318019127932
Energy: 1.6612787055161777
Energy: 1.7246713210775055
Energy: 1.628195206503088
Energy: 1.5662829253580175
Energy: 1.6124221269133954
Energy: 1.797500710392749

minimum gb energy = 1.3007044606049545 eV
minimum distance =  2.25611260655245 Angstroms
sigma value = 9


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

Energy: 2.578666106128839
Energy: 1.5052512995790446
Energy: 1.5015526060554774
Energy: 1.4743033799022867
Energy: 1.5024158720392662
Energy: 1.8976443294210652
Energy: 1.670419036088999
Energy: 1.8898509107367694
Energy: 1.4735594194335455
Energy: 1.4709180263626673
Energy: 1.4505631143487325
Energy: 1.9432653797771458
Energy: 1.6850414582740387
Energy: 1.8313268028477567
Energy: 1.8514507551278716
Energy: 1.4722242573448654
Energy: 1.8692628239866305
Energy: 1.7868185114736097
Energy: 1.704286977260337
Energy: 1.8269752111474584
Energy: 1.8282332977422704
Energy: 1.9513368288310904
Energy: 1.8088009621187129
Energy: 1.8347961600646074
Energy: 1.7118846918439292
Energy: 1.834023771815868
Energy: 1.831910667899694
Energy: 1.6604025782154075
Energy: 1.8216316300888282
Energy: 1.8388594765835298
Energy: 1.4582909229288052
Energy: 1.4491715619231902
Energy: 1.9072232556388284
Energy: 1.6634689260995132
Energy: 1.7938697535647739
Energy: 1.458977202527527
Energy: 1.484669531399256
Energy: 1.5077297981619475
Energy: 1.7454111738389309
Energy: 2.362255634291452
Energy: 1.5046588963689778
Energy: 1.5019607739197172
Energy: 1.343993783811762
Energy: 1.4492172395153042
Energy: 1.9062287318060864
Energy: 1.6634646435327645
Energy: 1.7918785408497924
Energy: 1.3458259182442154
Energy: 1.635507575231079
Energy: 1.796650802168132
Energy: 1.9063081339188637
Energy: 1.6605405151328294
Energy: 1.769153262846477
Energy: 1.7141480674982947
Energy: 1.6679461244024065
Energy: 1.7590118534823482
Energy: 1.859327556386731
Energy: 2.1143651571596083
Energy: 1.7818818808975634
Energy: 1.7699162394406
Energy: 1.5255332899257776
Energy: 1.7722028251873525
Energy: 1.8199608037803567
Energy: 1.6233760834369309
Energy: 1.8903157881244081
Energy: 1.6415961329249453
Energy: 1.4830263223846527
Energy: 1.8297364769400482
Energy: 1.660613336312643
Energy: 1.5464259820094228
Energy: 1.6454505123297918
Energy: 1.8031568142814014
Energy: 1.8333293641081283
Energy: 1.64929264063313
Energy: 1.641738688610526
Energy: 1.5706492899630942
Energy: 1.63407826008357
Energy: 1.9663547009426035
Energy: 1.7828073733660912
Energy: 1.7978293307324977
Energy: 1.5439904525060435
Energy: 1.4458245502844742
Energy: 1.658297084721412
Energy: 1.9053647542416876
Energy: 1.4937171171352401
Energy: 1.9199746505097088
Energy: 1.6149543074137511
Energy: 1.4486789672304947
Energy: 1.611627429277245
Energy: 2.0602079945653857
Energy: 2.1365499790303217
Energy: 1.7506888131811693
Energy: 1.6120974591027861
Energy: 1.4767738032772455
Energy: 1.6489986733262103
Energy: 1.862948905067588
Energy: 1.4962415238080562
Energy: 1.7215661801983186
Energy: 1.670248645358319
Energy: 1.5566237327697776
Energy: 1.6586652617763917
Energy: 1.9064033497501147
Energy: 1.47509713443161
Energy: 1.7851732949332164
Energy: 1.734656701094335
Energy: 1.5797806506720804
Energy: 1.929330661542923
Energy: 1.4885622725752268
Energy: 1.546663050933415
Energy: 1.739438139328597
Energy: 1.8794967713668658
Energy: 1.929380733710576
Energy: 1.8121080981806024
Energy: 1.7670553479480402
Energy: 1.6099880743196042
Energy: 1.7537764253471797
Energy: 1.7922156212604778
Energy: 1.5645727341470712
Energy: 1.768198639460185
Energy: 1.666192790794914
Energy: 1.36157146720769
Energy: 1.3541126064751103
Energy: 1.8563060485378269
Energy: 1.533426256891018
Energy: 1.8196708477470505
Energy: 1.353393705425629
Energy: 1.4794539039976309
Energy: 1.465368256124514
Energy: 1.581993264845969
Energy: 1.8127599400973688
Energy: 1.5471296747647652
Energy: 1.5043358932394364
Energy: 1.4535542111243411
Energy: 1.5182730059280674
Energy: 1.6733616211454492
Energy: 1.882062886920345
Energy: 1.511626702306173
Energy: 1.5054144408644665
Energy: 1.4941272554551615
Energy: 1.6462723442210756
Energy: 1.8208725055495183
Energy: 1.5468338583306762
Energy: 1.8471801450891365
Energy: 1.6459824048134992
Energy: 1.9320534647101215
Energy: 1.8317814532529668
Energy: 1.8341981190460066
Energy: 1.593773206803476
Energy: 1.849608865043739
Energy: 1.919996006846913
Energy: 1.6862107062503093
Energy: 1.8252681775833444
Energy: 1.8770913292016267
Energy: 1.704217488712725
Energy: 1.821731232551323
Energy: 1.8470935911993411
Energy: 1.6670734000105298
Energy: 1.8795803561897153
Energy: 1.451504517826339
Energy: 1.4790801042440456
Energy: 1.4514085249943254
Energy: 1.7313254937228444
Energy: 1.8327374765254458
Energy: 1.5441320159346048
Energy: 1.5195794030924235
Energy: 1.5072208167372543
Energy: 1.516840890739755
Energy: 1.7444505955791854
Energy: 1.478396104346043
Energy: 1.51164710993469
Energy: 1.42226503775772
Energy: 1.404773306364864
Energy: 1.5057372426237285
Energy: 1.9495195413025417
Energy: 1.6541143265630267
Energy: 1.8901164110693323
Energy: 1.346700348951435
Energy: 1.3541657947045467
Energy: 1.7540418469344128
Energy: 1.9949807334449545
Energy: 1.9615938667548343
Energy: 1.7906109637310252
Energy: 1.7493474807733107
Energy: 1.6143296203543678
Energy: 1.7626994425595355
Energy: 1.8134185253246324
Energy: 2.1432954452036577
Energy: 1.8030069036574392
Energy: 1.7607483686168952
Energy: 1.5304086924560267
Energy: 1.7572085212998905
Energy: 1.9010939837996388
Energy: 1.542598196885545
Energy: 1.6369603827636015
Energy: 1.797323125901974
Energy: 1.4692942179707864
Energy: 1.8081230680329006
Energy: 1.6676971141884966
Energy: 1.5489795531928703
Energy: 1.6499572214979286
Energy: 1.7472159798253335
Energy: 2.074631535708106
Energy: 1.6566408484991682
Energy: 1.647761095561979
Energy: 1.441797266874272
Energy: 1.531934771794083
Energy: 1.646188010079932
Energy: 1.7062339056895082
Energy: 1.6747104699377273
Energy: 1.5399114259458513
Energy: 1.4755580168496785
Energy: 1.6866957165571528
Energy: 1.9982368852389552
Energy: 1.4687986458623263
Energy: 1.777090877344883
Energy: 1.6298650740392644
Energy: 1.442665793624773
Energy: 1.6168339135020287
Energy: 1.856778208730898
Energy: 1.4946053503182415
Energy: 1.6879578379809532
Energy: 1.4597018270656361
Energy: 1.6421870509546068
Energy: 1.6438980897273658
Energy: 1.8773435130476666
Energy: 2.1423802757078523
Energy: 1.6622103908379051
Energy: 1.650717011884896
Energy: 1.556486341837051
Energy: 1.7596211765047325
Energy: 1.9427679728103038
Energy: 1.48444493694849
Energy: 1.8584041668105722
Energy: 1.5262459307631093
Energy: 1.9212392501484954
Energy: 1.8907276102254515
Energy: 1.7492980258025916
Energy: 1.5342147446942227
Energy: 1.825051518576143
Energy: 1.8475014123223998
Energy: 1.8011070271446201
Energy: 1.84973449449088
Energy: 1.7439196280708003
Energy: 1.6131756668749637
Energy: 1.7465909190398596
Energy: 1.8500231252937662
Energy: 1.5408509743858319
Energy: 1.8453701690848516
Energy: 1.6745629930667922
Energy: 1.4626720786592242
Energy: 1.784155251286735
Energy: 1.9752683123377066
Energy: 2.0845541978261126
Energy: 1.6353794962132748
Energy: 1.3451069677543632
Energy: 1.3424228795274715
Energy: 1.511136421845556
Energy: 1.8747816457679947

minimum gb energy = 1.3424228795274715 eV
minimum distance =  2.23586472072378 Angstroms
sigma value = 57


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

Energy: 2.4223544059331106
Energy: 1.4963377685379298
Energy: 1.4840914059342616
Energy: 1.3784547924502228
Energy: 1.6105807515596178
Energy: 1.9081752402609777
Energy: 1.7402642814373626
Energy: 1.7010768946640757
Energy: 1.5854150680517722
Energy: 1.5084731373469138
Energy: 1.585446415503163
Energy: 1.8427271790050275
Energy: 1.817305918470001
Energy: 1.8295527881617466
Energy: 1.7373071826631787
Energy: 1.5088694279932964
Energy: 1.777763621854685
Energy: 1.806126733963023
Energy: 1.416640241662144
Energy: 1.5426612719842092
Energy: 1.7520305878871736
Energy: 1.583489160922579
Energy: 1.7527878773188978
Energy: 1.1818103478221091
Energy: 1.5363117557397459
Energy: 1.5442489594317925
Energy: 1.7371844833009196
Energy: 1.5097243406061163
Energy: 1.7510475374406467
Energy: 1.4481889903676763
Energy: 1.185606596175417
Energy: 1.4879533644918312
Energy: 1.5146245605383055
Energy: 1.6154310769763727
Energy: 1.4788394436695629
Energy: 1.4561572199803368
Energy: 1.4468480784064022
Energy: 1.4942572762924815
Energy: 1.4950823384233616
Energy: 1.905578768577063
Energy: 1.494787338873393
Energy: 1.5050233185274562
Energy: 1.3033608839576853
Energy: 1.4813482008324363
Energy: 1.7419539682203122
Energy: 1.929786804610004
Energy: 1.5491969022620202
Energy: 1.478856285188524
Energy: 1.307816990439439
Energy: 1.2292355995126316
Energy: 1.7253570969067218
Energy: 1.7606796813319723
Energy: 1.7254242360865715
Energy: 1.2293873562582371
Energy: 1.3716308479480448
Energy: 1.2293256314894927
Energy: 1.7839493400640412
Energy: 1.8923712159765023
Energy: 1.5622529341527482
Energy: 1.2601061123844461
Energy: 1.4107382593385875
Energy: 1.577534210023457
Energy: 1.4750538171318404
Energy: 1.9660332010037278
Energy: 1.5773284720052976
Energy: 1.469729898409675
Energy: 1.5081729595822055
Energy: 1.535674963153916
Energy: 1.842914136162391
Energy: 1.78423480780597
Energy: 1.8104467609455048
Energy: 1.5820106810201655
Energy: 1.9090515731351116
Energy: 1.8202934851611923
Energy: 1.7398584385451523
Energy: 1.8279535933419602
Energy: 1.8358693461458435
Energy: 1.8196278329951534
Energy: 1.6089786620281104
Energy: 1.7141399388661425
Energy: 1.7268805759593635
Energy: 1.4146123471076233
Energy: 1.720888225096177
Energy: 1.7366190108787443
Energy: 1.50417944159453
Energy: 1.7121019432426086
Energy: 1.475423464856298
Energy: 1.188727093225823
Energy: 1.4752828600803383
Energy: 1.7866022710832479
Energy: 1.8804588757983305
Energy: 1.4792555358326236
Energy: 1.5052409689027857
Energy: 1.2557064627123646
Energy: 1.533239444537838
Energy: 1.5304427084483019
Energy: 1.7218314707795486
Energy: 1.4769539011958088
Energy: 1.4804970205627135
Energy: 1.304866059107183
Energy: 1.5226406403659294
Energy: 1.5674990277412615
Energy: 1.7230276231024855
Energy: 1.778565855769685
Energy: 1.2278630331799552
Energy: 1.2248774957993003
Energy: 1.449199070457368
Energy: 1.7882935651494674
Energy: 2.1353805457424264
Energy: 1.4774102341405893
Energy: 1.3058432982900898
Energy: 1.3041022965901015
Energy: 1.476078558006289
Energy: 1.726320024313066

minimum gb energy = 1.1818103478221091 eV
minimum distance =  2.25891757339082 Angstroms
sigma value = 11


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

Energy: 1.9349429152623068
Energy: 1.491444528678042
Energy: 1.3775661436608688
Energy: 1.3306151696464719
Energy: 1.4701560496332016
Energy: 1.684246043902998
Energy: 2.1012925143429904
Energy: 1.7093967328121935
Energy: 1.426836562907531
Energy: 1.3520370287721404
Energy: 1.4961511233217266
Energy: 1.6614868573229749
Energy: 1.8210037535310175
Energy: 1.6695296822997383
Energy: 1.5772565960748317
Energy: 1.354800517150841
Energy: 1.621157633195946
Energy: 1.7645073036443217
Energy: 1.9117600409720654
Energy: 1.6641393705341754
Energy: 1.5884781754915946
Energy: 1.5929172208162437
Energy: 1.6793295600294398
Energy: 1.6909374277834852
Energy: 1.570036728123699
Energy: 1.657562321792888
Energy: 1.6569641934728199
Energy: 1.6655111182924198
Energy: 1.7220636562945182
Energy: 1.7749535599559758
Energy: 1.5706087122124206
Energy: 1.7043117538853993
Energy: 1.784081824007728
Energy: 1.7218727595986634
Energy: 1.7416076182921436
Energy: 1.707149192123156
Energy: 1.491582632846604
Energy: 1.6462095293989774
Energy: 1.685067964084306
Energy: 1.5992555789575094
Energy: 1.6359039218314948
Energy: 1.5701943772962579
Energy: 1.2600902606597877
Energy: 1.5289977668071422
Energy: 1.6232289971567355
Energy: 1.808595093472055
Energy: 1.6245936110819696
Energy: 1.5030901649893413
Energy: 1.3680671032019929
Energy: 1.4259241268071543
Energy: 1.5766768375556046
Energy: 1.8312095485185262
Energy: 1.454534944961467
Energy: 1.4532303746508601
Energy: 1.3317482212472869
Energy: 1.4535719784151142
Energy: 1.3822603075645665
Energy: 2.026497901527692
Energy: 1.4324859121630156
Energy: 1.4099927490032664
Energy: 1.2839149211873677
Energy: 1.3583149089845954
Energy: 1.3884233048974985
Energy: 1.997668995349697
Energy: 1.388569784917779
Energy: 1.3073611740088602
Energy: 1.1547726955269326
Energy: 1.3102582768330286
Energy: 1.6841632875971697
Energy: 1.8279359907682595
Energy: 1.520442260942491
Energy: 1.156308084936484
Energy: 1.195584387977809
Energy: 1.3063713417418206
Energy: 1.6018141386367477
Energy: 1.897012703828916
Energy: 1.3876965433965645
Energy: 1.1983489994244543
Energy: 1.3945449264364378
Energy: 1.4708347009664295
Energy: 1.6886097789144583
Energy: 1.904190593754831
Energy: 1.5254559959708165
Energy: 1.3808545139941306
Energy: 1.3532602943357135
Energy: 1.4273825185742175
Energy: 1.6619382988231959
Energy: 1.8321901779847896
Energy: 1.6869787457290797
Energy: 1.4234297436740941
Energy: 1.5846822818348703
Energy: 1.6621034159609127
Energy: 1.7580011550830552
Energy: 1.748507262265205
Energy: 1.601330232216417
Energy: 1.6181374555018002
Energy: 1.6651223651030014
Energy: 1.5889397249946553
Energy: 1.6958759100173881
Energy: 1.9046660659470316
Energy: 1.698466729116919
Energy: 1.6144756303053942
Energy: 1.828982899529381
Energy: 1.800635355473905
Energy: 1.7317982351565164
Energy: 1.5703941202406704
Energy: 1.7716355522601728
Energy: 1.764503841815457
Energy: 1.889810900476049
Energy: 1.785667959613012
Energy: 1.6622414466410305
Energy: 1.6200293570737776
Energy: 1.708133421868189
Energy: 1.7415189258313963
Energy: 1.5828389921456785
Energy: 1.6821874499998921
Energy: 1.4165341325870846
Energy: 1.5616083897942676
Energy: 1.6482633536472175
Energy: 1.643649318678913
Energy: 1.8402835424563606
Energy: 1.6230123137994137
Energy: 1.5427891466279657
Energy: 1.2637219160222928
Energy: 1.6011015902165813
Energy: 1.628472069102526
Energy: 2.0856370832297118
Energy: 1.4513045215138665
Energy: 1.450499046424325
Energy: 1.371005249225201
Energy: 1.4309732701660043
Energy: 1.4328687766603474
Energy: 2.0275609975781603
Energy: 1.5249998544195802
Energy: 1.3801717944618532
Energy: 1.3856357362192713
Energy: 1.4361696514585693
Energy: 1.7058847322910742
Energy: 2.061161850447992
Energy: 1.3889117142923555
Energy: 1.3922476359294582
Energy: 1.1965955408658222
Energy: 1.354786259767641
Energy: 1.4698048776188921
Energy: 2.078971495496229
Energy: 1.6254420845677502
Energy: 1.1553928393082238
Energy: 1.1995004204963882
Energy: 1.308300599188961
Energy: 1.7042191402513787
Energy: 2.1374746347528433
Energy: 1.3876575639988826
Energy: 1.255956905676001
Energy: 1.1982240302082223
Energy: 1.3829016295571708
Energy: 1.7178697592187082

minimum gb energy = 1.1547726955269326 eV
minimum distance =  2.25299146355769 Angstroms
sigma value = 41


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

Energy: 2.222050718127538
Energy: 1.2867139998584542
Energy: 1.2882260454941539
Energy: 1.2763800813262862
Energy: 1.2885224497626595
Energy: 1.5986887321112426
Energy: 2.224163735404248
Energy: 1.3873946249653564
Energy: 1.2890964562070548
Energy: 1.2302396445394772
Energy: 1.2904667033641541
Energy: 1.5277026347345717
Energy: 2.029188764294681
Energy: 1.4641353344696628
Energy: 1.4224361383006328
Energy: 1.4023832622007675
Energy: 1.4664029886820522
Energy: 1.537093979659488
Energy: 1.8031914644376732
Energy: 1.4803782107684147
Energy: 1.4409055061527838
Energy: 1.4031132027064657
Energy: 1.4522767024503216
Energy: 1.5479916390533526
Energy: 1.803488580522452
Energy: 1.5166981721061201
Energy: 1.6200938923467296
Energy: 1.5385648423591451
Energy: 1.5564126715436248
Energy: 1.584611644972599
Energy: 1.8060757463548052
Energy: 1.5988526960353417
Energy: 1.5749746209401456
Energy: 1.5607973298047169
Energy: 1.545128821372732
Energy: 1.6030320212147087
Energy: 1.8079586597411652
Energy: 1.5073248758690243
Energy: 1.5150552744313686
Energy: 1.613135735529434
Energy: 1.5439938325643807
Energy: 1.5729917400517393
Energy: 1.6509918848509832
Energy: 1.5599956404047028
Energy: 1.5052796544901927
Energy: 1.5736792380784794
Energy: 1.5060328958480083
Energy: 1.5443414224624001
Energy: 1.6225266545409542
Energy: 1.541419478719418
Energy: 1.5957093513963903
Energy: 1.515943587525272
Energy: 1.5623397235691094
Energy: 1.5508007774763197
Energy: 1.396604879239032
Energy: 1.4922707238296522
Energy: 1.4777860074134672
Energy: 1.7448716208629247
Energy: 1.4872507156559835
Energy: 1.4984832817244094
Energy: 1.3999112635284605
Energy: 1.4773382552342167
Energy: 1.4845089309304529
Energy: 1.5183870349501478
Energy: 1.4795114763166026
Energy: 1.3800056837010803
Energy: 1.229427348315268
Energy: 1.31653547721263
Energy: 1.454315403941254
Energy: 1.5128437565950508
Energy: 1.5017114775407812
Energy: 1.310017927008023
Energy: 1.2284624153031296
Energy: 1.2912609051548178
Energy: 1.3877159762325126
Energy: 1.61958373334766
Energy: 1.3983422208691882
Energy: 1.2897165350709934
Energy: 1.1961453457448503
Energy: 1.2855199694925958
Energy: 1.3491554504171737
Energy: 1.5922504867576883
Energy: 1.343088876322488
Energy: 1.2863718198903629
Energy: 1.1059457014974285
Energy: 1.3271812558129132
Energy: 1.3274310715531867
Energy: 1.4964371966246526
Energy: 1.3570522177384874
Energy: 1.1992899035042621
Energy: 1.1062831474397221
Energy: 1.1501020798817339
Energy: 1.4780966691557063
Energy: 1.498716471673172
Energy: 1.483049697885963
Energy: 1.105711299363293
Energy: 1.1957398293420176
Energy: 1.299095924940028
Energy: 1.4470823946567912
Energy: 1.7966978079450011
Energy: 1.342853896707093
Energy: 1.1358236612805717
Energy: 1.270540282989319
Energy: 1.2897336792925718
Energy: 1.3089267533169457
Energy: 1.5417743978018683
Energy: 1.4026420884697235
Energy: 1.2894889471047013
Energy: 1.2294155847328576
Energy: 1.3100440862087281
Energy: 1.5139472076918339
Energy: 1.5232720688805652
Energy: 1.486433405154322
Energy: 1.290413428203682
Energy: 1.3971503626346926
Energy: 1.4552624514585335
Energy: 1.4824256990356457
Energy: 1.5532730980130094
Energy: 1.5044367659607967
Energy: 1.4197646817631997
Energy: 1.5746204105755028
Energy: 1.5906207952537859
Energy: 1.5263498530049806
Energy: 1.5978900394710187
Energy: 1.4981943085643499
Energy: 1.505880064875013
Energy: 1.6035464434947193
Energy: 1.5945095714075426
Energy: 1.6462145974349014
Energy: 1.513211152127361
Energy: 1.5531029694105685
Energy: 1.6298495229421912
Energy: 1.6044831774532804
Energy: 1.5696271357455571
Energy: 1.5749293415610959
Energy: 1.6116258452117604
Energy: 1.5461845423861822
Energy: 1.544176690300542
Energy: 1.6072709199211554
Energy: 1.5060753128733406
Energy: 1.5393489118701
Energy: 1.6410454805641628
Energy: 1.515611922057664
Energy: 1.5071589171400719
Energy: 1.8283331096038573
Energy: 1.5570403133182926
Energy: 1.5680323265757792
Energy: 1.5096752277257126
Energy: 1.550073637187222
Energy: 1.5545220529749058
Energy: 1.5964208582609987
Energy: 1.5943903645251059
Energy: 1.52837299078424
Energy: 1.5693844653512603
Energy: 1.573229473346711
Energy: 1.5917956482251718
Energy: 1.7452053995695032
Energy: 1.4867801061460284
Energy: 1.3908850578898522
Energy: 1.404306129947203
Energy: 1.4272350616000513
Energy: 1.4891655770914194
Energy: 2.0725271680428805
Energy: 1.4540858827088505
Energy: 1.386075133328792
Energy: 1.3570177019206215
Energy: 1.430869554884564
Energy: 1.5182674875215263
Energy: 2.0022780307863366
Energy: 1.3083105185213542
Energy: 1.2919192262780725
Energy: 1.2436715856367127
Energy: 1.290587611622191
Energy: 1.400879070010489
Energy: 2.0226702899776448
Energy: 1.3400511570531028
Energy: 1.2872280132122909
Energy: 1.286760588766908
Energy: 1.2857428460765126
Energy: 1.5471810771488352
Energy: 2.2802209068018535
Energy: 1.3568004159923723
Energy: 1.32259976347927
Energy: 1.104943921481835
Energy: 1.322688343620004
Energy: 1.3876337593028416
Energy: 2.2660856773702167
Energy: 1.503110383931703
Energy: 1.07065070903504
Energy: 1.1026852825619908
Energy: 1.1919042843018441
Energy: 1.5121307524083727
Energy: 1.7959948303846862
Energy: 1.2844929588943075
Energy: 1.1868472949108866
Energy: 1.1037398398180904
Energy: 1.104382408268109
Energy: 1.5413470989573255

minimum gb energy = 1.07065070903504 eV
minimum distance =  2.24605979172974 Angstroms
sigma value = 33


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

Energy: 2.117761340349028
Energy: 1.1997212723970256
Energy: 1.1998544295439184
Energy: 1.1657026507167014
Energy: 1.200134786525947
Energy: 1.4204515127796027
Energy: 2.4382470476081513
Energy: 1.1868133676520563
Energy: 1.1613330780529287
Energy: 1.0709459948927755
Energy: 1.1650966055513594
Energy: 1.3060302139753637
Energy: 2.2082709446259114
Energy: 1.267843172912206
Energy: 1.2044117525768407
Energy: 1.1712911726552544
Energy: 1.2970429990750538
Energy: 1.2746929969829168
Energy: 1.7589539758335193
Energy: 1.245083195544428
Energy: 1.204531900519448
Energy: 1.1773813134090103
Energy: 1.1795523989231176
Energy: 1.3564832247249572
Energy: 1.7569573312908648
Energy: 1.3361133195331345
Energy: 1.3396750212167912
Energy: 1.3001999782851916
Energy: 1.3101544576683495
Energy: 1.3335306308866852
Energy: 2.122343430046851
Energy: 1.352956136578477
Energy: 1.3037660554490265
Energy: 1.3258418806604197
Energy: 1.346162927693025
Energy: 1.3004919860832258
Energy: 2.079345887872418
Energy: 1.3181670192416977
Energy: 1.3088716837463095
Energy: 1.5152030202990034
Energy: 1.2973053207305871
Energy: 1.335322637054919
Energy: 1.7066626859242169
Energy: 1.4169969331013414
Energy: 1.3698537621665676
Energy: 1.3697835251486985
Energy: 1.4260528011482014
Energy: 1.3414307690610896
Energy: 1.961159427787508
Energy: 1.3759525925663891
Energy: 1.3973607222813746
Energy: 1.3816882794467238
Energy: 1.3384837121341617
Energy: 1.3520001501325165
Energy: 1.9161139157151692
Energy: 1.3886047381656765
Energy: 1.3467806590081268
Energy: 1.3582003539248977
Energy: 1.3477399122913227
Energy: 1.3375007195522572
Energy: 1.67962662415725
Energy: 1.3352492852690419
Energy: 1.3616515260274225
Energy: 1.3598138174925383
Energy: 1.3281449635124911
Energy: 1.3354039869345724
Energy: 1.471661467596044
Energy: 1.3328432228601417
Energy: 1.3684396722036598
Energy: 1.3606527267273683
Energy: 1.3680773729137268
Energy: 1.3332991494676683
Energy: 1.6442654717471605
Energy: 1.3823272138924567
Energy: 1.3545687562273558
Energy: 1.3651703888711142
Energy: 1.3260875882255638
Energy: 1.391238583120088
Energy: 1.60987087315317
Energy: 1.390628466885679
Energy: 1.3072706661695206
Energy: 1.3602360697404912
Energy: 1.3022643588371943
Energy: 1.3714662432948421
Energy: 1.340459599211403
Energy: 1.3256157545314518
Energy: 1.318007372673851
Energy: 1.37235302997827
Energy: 1.3007528249442928
Energy: 1.320622377843575
Energy: 1.334833022052979
Energy: 1.3091901043031784
Energy: 1.359385470084224
Energy: 1.2857531817832109
Energy: 1.3587644834942005
Energy: 1.3481977532351017
Energy: 1.3527500745189456
Energy: 1.354695345605833
Energy: 1.3350219025963208
Energy: 1.3772105628894082
Energy: 1.1516127557726779
Energy: 1.337891703537538
Energy: 1.1686340745206756
Energy: 1.233168284200047
Energy: 1.2748774403593388
Energy: 1.3720201265970287
Energy: 1.274300941804898
Energy: 1.145000863689951
Energy: 1.0638749763669155
Energy: 1.1756322049184529
Energy: 1.2749666077045518
Energy: 1.3381614196107026
Energy: 1.267338312558289
Energy: 1.1773690408385704
Energy: 1.0944522225008704
Energy: 1.1687809926851436
Energy: 1.1935117147246153
Energy: 1.3528460186470763
Energy: 1.1839084604723682
Energy: 1.1634995225011293
Energy: 1.1119518241773585
Energy: 1.033039304268042
Energy: 1.1536014654968756
Energy: 1.3725027623824881
Energy: 1.0333226813251932
Energy: 1.0453459161429492
Energy: 1.0326312693772475
Energy: 1.1334930378822943
Energy: 1.179030495869207
Energy: 1.2806446442917832
Energy: 1.1607472738374356
Energy: 1.0323746710307478
Energy: 0.9635211161123591
Energy: 1.159756129212358
Energy: 1.2916396426293923
Energy: 1.2794699153157916
Energy: 1.160262373169818
Energy: 0.9739701510735325
Energy: 1.182918471481295
Energy: 1.199284982188802
Energy: 1.3213235595929045
Energy: 1.360641665999682
Energy: 1.124326558159955
Energy: 1.1995096093293438
Energy: 1.092392293910568
Energy: 1.1669322171446928
Energy: 1.1864849022446646
Energy: 1.391509881778466
Energy: 1.186459013424626
Energy: 1.0992231998455677
Energy: 1.104709756196178
Energy: 1.1635687005306403
Energy: 1.2759498630970796
Energy: 1.350429914050058
Energy: 1.2704846157791572
Energy: 1.0891038849959054
Energy: 1.1702354413755052
Energy: 1.2530203637781403
Energy: 1.2660565240495054
Energy: 1.3666482409108063
Energy: 1.265529214055904
Energy: 1.1775057770065034
Energy: 1.3456234105096596
Energy: 1.3537588130183604
Energy: 1.3034777121378414
Energy: 1.368339118966635
Energy: 1.3154531214768206
Energy: 1.351798007455782
Energy: 1.3262463149326809
Energy: 1.3143256898782059
Energy: 1.3358886963980134
Energy: 1.3754197746728918
Energy: 1.3097747830999196
Energy: 1.3411072358565632
Energy: 1.5412940809113065
Energy: 1.3045609947062267
Energy: 1.3180276097139116
Energy: 1.3732721939480301
Energy: 1.3187692881389972
Energy: 1.31804630776137
Energy: 1.5969416552299232
Energy: 1.435637901400281
Energy: 1.59454230198366
Energy: 1.7292735373565742
Energy: 1.419432194666307
Energy: 1.3694899597145114
Energy: 1.6269515117612263
Energy: 1.3589880482785495
Energy: 1.37454436968411
Energy: 1.3897613224694894
Energy: 1.377744183316446
Energy: 1.3908022586841515
Energy: 1.6251204132204042
Energy: 1.335779381425886
Energy: 1.363876564823696
Energy: 1.337963303825802
Energy: 1.3373377750593363
Energy: 1.3501584931237596
Energy: 1.6334627148531087
Energy: 1.3287826826601103
Energy: 1.3448256455970184
Energy: 1.3305991992431336
Energy: 1.3273861442521275
Energy: 1.3287059527818632
Energy: 1.9196758317968607
Energy: 1.339305256727951
Energy: 1.327696929643224
Energy: 1.3897190102044306
Energy: 1.3348054738760016
Energy: 1.3380758330476519
Energy: 1.9394693112210821
Energy: 1.356903226038653
Energy: 1.3770044574067697
Energy: 1.4248257053011462
Energy: 1.3439097142749166
Energy: 1.3744428652932237
Energy: 1.6149996932935
Energy: 1.416070283102855
Energy: 1.3812204162978738
Energy: 1.3734317017254425
Energy: 1.3838048359264836
Energy: 1.4714030051801286
Energy: 2.082137570422155
Energy: 1.3193404612106157
Energy: 1.3208582004974032
Energy: 1.3533783951893292
Energy: 1.3691185763555518
Energy: 1.3180845671341102
Energy: 2.1011433707607607
Energy: 1.3234206028028288
Energy: 1.300687859064878
Energy: 1.262034873404422
Energy: 1.3322368552019321
Energy: 1.3544574944905212
Energy: 1.9243408038216288
Energy: 1.1458564977988082
Energy: 1.350879528108924
Energy: 1.3275164299817144
Energy: 1.3176667025690627
Energy: 1.3577136434068382
Energy: 1.9374602300923165
Energy: 1.2660159378609706
Energy: 1.2263070043903859
Energy: 1.181980866687155
Energy: 1.1511196538041806
Energy: 1.3135417201750637
Energy: 2.1208088100125737
Energy: 1.2703924345387767
Energy: 1.1669058665570022
Energy: 1.1448240568398123
Energy: 1.1744934884936786
Energy: 1.2748955123039345
Energy: 2.248924673111395
Energy: 1.1869415759757511
Energy: 1.1609651413437976
Energy: 1.07316178510416
Energy: 1.1659828570891662
Energy: 1.222108022977489
Energy: 1.9097882763708964
Energy: 1.103451742396662
Energy: 1.2002592778233898
Energy: 1.033869427888482
Energy: 1.2002898488887306
Energy: 1.355847163331512
Energy: 2.23284570707676
Energy: 1.1891024206783858
Energy: 1.1328294848431475
Energy: 1.0273366789578269
Energy: 1.1600964192796068
Energy: 1.2216049239382718
Energy: 2.410479117003512
Energy: 1.2578496043784186
Energy: 1.0374986666261117
Energy: 0.9663499168989007
Energy: 1.1601363867884569
Energy: 1.2917387790309023
Energy: 2.0698044586383935
Energy: 1.0059774262655168
Energy: 1.1530391921138885
Energy: 1.1618921923932277
Energy: 1.102711576785923
Energy: 1.3474934195906187

minimum gb energy = 0.9635211161123591 eV
minimum distance =  2.29631503397475 Angstroms
sigma value = 67


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

Energy: 0.2742595600866228
Energy: 0.5226813954189607
Energy: 0.5224524291593106
Energy: 0.5262481616066015
Energy: 0.5215517906399106
Energy: 0.2746956944089774
Energy: 1.5692442632745467
Energy: 0.4318843234587637
Energy: 0.4327281062222838
Energy: 0.43534793101334857
Energy: 0.43253638791718313
Energy: 0.43206931314209424
Energy: 1.6481714683058981
Energy: 0.48841765208687044
Energy: 0.48882031033771595
Energy: 0.4483204897608599
Energy: 0.48779827853293645
Energy: 0.52440866686041
Energy: 0.27487444991302934
Energy: 0.43406620347786046
Energy: 0.4876513696276767
Energy: 0.4913175487436127
Energy: 0.48664124017823374
Energy: 0.27539574041024206
Energy: 0.2748321123711637
Energy: 0.45065729148447153
Energy: 0.4909363220699446
Energy: 0.4916377828901671
Energy: 0.4926121286893167
Energy: 0.3203604682069959
Energy: 1.5615103621107242
Energy: 0.487784056769335
Energy: 0.4875549209977607
Energy: 0.4908401032280585
Energy: 0.4867601124562861
Energy: 0.43339878258651315
Energy: 0.3687378134595319
Energy: 0.52338332679618
Energy: 0.4346567224715812
Energy: 0.4908890568577027
Energy: 0.43360369246712777
Energy: 0.5232523064303115

minimum gb energy = 0.2742595600866228 eV
minimum distance =  2.40576052360584 Angstroms
sigma value = 3


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

Energy: 2.2413100343404238
Energy: 1.2489679489865213
Energy: 1.2283223483492258
Energy: 1.0529461773074689
Energy: 1.2280268810406434
Energy: 1.3617778756394179
Energy: 2.254965890078354
Energy: 1.0588794672372788
Energy: 0.9296186887147307
Energy: 0.9302978948482952
Energy: 0.9286278723225507
Energy: 1.2480454822762526
Energy: 2.273770286131691
Energy: 1.0865074936171417
Energy: 0.9283886850357178
Energy: 0.9486514912196998
Energy: 0.9311464963024239
Energy: 1.236944832198301
Energy: 2.1024264232966154
Energy: 1.096619486526696
Energy: 0.9746541231376974
Energy: 0.9298355211702162
Energy: 0.9739937164976177
Energy: 1.2456606609720522
Energy: 2.1007441488488325
Energy: 1.0783520155189403
Energy: 1.0988379550984622
Energy: 1.0828163170311087
Energy: 1.097096769885168
Energy: 1.2642368398818276
Energy: 2.2928839031385535
Energy: 1.0759209434959844
Energy: 1.0810241788420023
Energy: 1.0812613203900536
Energy: 1.0847467218350872
Energy: 1.2369673630607663
Energy: 2.2902113308688437
Energy: 1.0810053288606674
Energy: 1.0896794637058254
Energy: 1.0306820878247231
Energy: 1.0888347096226538
Energy: 1.2366435364344337
Energy: 1.8242065692238514
Energy: 1.202232784980739
Energy: 1.3772031514045229
Energy: 1.0706486353451283
Energy: 1.3557842986326145
Energy: 1.2451513676892771
Energy: 2.0943642518075993
Energy: 1.2550749332751245
Energy: 1.2404508117855797
Energy: 1.3662690179807284
Energy: 1.2462286846732962
Energy: 1.2687962850489551
Energy: 2.130567427538161
Energy: 1.2884926619478094
Energy: 1.2713263044134806
Energy: 1.3098206966984158
Energy: 1.2258282631205983
Energy: 1.2423047443103576
Energy: 1.819532171483949
Energy: 1.2566133246328106
Energy: 1.292930248032749
Energy: 1.3252925062997951
Energy: 1.2783808997654094
Energy: 1.2568560924752368
Energy: 1.8092761166295803
Energy: 1.2567380861259734
Energy: 1.2508355084027771
Energy: 1.4342115098433896
Energy: 1.2498116122391252
Energy: 1.3023603730917768
Energy: 1.8129793032563393
Energy: 1.2844755492713464
Energy: 1.2429803171208567
Energy: 1.4337606233533795
Energy: 1.2463564172252275
Energy: 1.315650281013494
Energy: 1.8129749950235605
Energy: 1.2998067042968449
Energy: 1.2744517793093975
Energy: 1.4232349542810447
Energy: 1.3269529259810124
Energy: 1.26893649489403
Energy: 1.5616822137681563
Energy: 1.2521367388279605
Energy: 1.3862286754577684
Energy: 1.3651289530831292
Energy: 1.3250951790986607
Energy: 1.2802943743605701
Energy: 1.5561765737674562
Energy: 1.397938518976919
Energy: 1.2761255386096992
Energy: 1.6976894330433046
Energy: 1.2941419594391717
Energy: 1.4005830951388707
Energy: 1.5306125491051386
Energy: 1.3108013042603104
Energy: 1.2827620309388446
Energy: 1.3089912588043318
Energy: 1.303369850254336
Energy: 1.3110170894590725
Energy: 1.5619383467600363
Energy: 1.2377322321680833
Energy: 1.3243945217374673
Energy: 1.280279828619304
Energy: 1.2811790232858513
Energy: 1.2429749341580139
Energy: 1.536109027802713
Energy: 1.2413288392241975
Energy: 1.2457831124526388
Energy: 1.319506236994223
Energy: 1.2458427407038324
Energy: 1.3119476635573788
Energy: 1.3675890682316127
Energy: 1.2849993882559496
Energy: 1.259198471338503
Energy: 1.2960989131549396
Energy: 1.242263309375911
Energy: 1.2943395399819662
Energy: 1.3055885276529449
Energy: 1.2580245535894754
Energy: 1.281139635202735
Energy: 1.2455482958790198
Energy: 1.2824768363779104
Energy: 1.2522332991370764
Energy: 1.362708892062009
Energy: 1.2272168907324494
Energy: 1.2622787002289186
Energy: 1.3052612359897513
Energy: 1.2422314623951034
Energy: 1.2445168375292481
Energy: 1.1319112802964935
Energy: 1.3636744500795266
Energy: 1.3698073079717061
Energy: 1.357725857721797
Energy: 1.3710508003103403
Energy: 1.3712719625655148
Energy: 1.0513063604314807
Energy: 1.0886798024143811
Energy: 1.2226116533279643
Energy: 1.3175253894108556
Energy: 1.1080019231806828
Energy: 1.0634670794603376
Energy: 1.0956148987030494
Energy: 1.0809417131371308
Energy: 1.2304636586343833
Energy: 1.3201746472235736
Energy: 1.216105930968523
Energy: 1.1019974620477024
Energy: 1.0505969715905858
Energy: 1.095681700423965
Energy: 1.1961982344869087
Energy: 1.2247456499658071
Energy: 1.0993065832321274
Energy: 1.0713848646818125
Energy: 0.9298927361487574
Energy: 0.9745906746336569
Energy: 1.1107016260901998
Energy: 1.2716586087192523
Energy: 0.9290965975991883
Energy: 0.9288261756504679
Energy: 0.9314083014762947
Energy: 0.9310797503885411
Energy: 1.2153796286972243
Energy: 1.3177983338520944
Energy: 1.058200219333136
Energy: 0.9285704719129556
Energy: 0.9466419961181191
Energy: 0.9283519795202421
Energy: 1.2287277008935695
Energy: 1.321980505908269
Energy: 0.9293875590849677
Energy: 0.9454424096551417
Energy: 1.1257193312106062
Energy: 1.2361603665105436
Energy: 1.0909850625090582
Energy: 1.2542611913515942
Energy: 1.1736774340412715
Energy: 1.2355275598572493
Energy: 1.097100011733335
Energy: 1.086297192930248
Energy: 1.2375346624380918
Energy: 1.2409912825476455
Energy: 1.0830644162551393
Energy: 1.0978027822152185
Energy: 1.042312746657094
Energy: 1.0623734252473254
Energy: 1.094039471309532
Energy: 1.3163090272795235
Energy: 1.0891452360382479
Energy: 1.0620629087591522
Energy: 1.094534486943787
Energy: 1.0961175678201662
Energy: 1.2003632048642892
Energy: 1.5017974797309857
Energy: 1.0878713128290818
Energy: 1.1062348177988193
Energy: 1.2993738759340019
Energy: 1.2245086463221782
Energy: 1.2279676937259463
Energy: 1.3135117452578224
Energy: 1.2209634252009574
Energy: 1.2772056656044728
Energy: 1.315302702504156
Energy: 1.2189457707301457
Energy: 1.2822007493958427
Energy: 1.3211928126226746
Energy: 1.2092712578236073
Energy: 1.2402481133714984
Energy: 1.295065771332397
Energy: 1.2902902755667267
Energy: 1.2480370948887929
Energy: 1.2803404529054812
Energy: 1.2973633300304814
Energy: 1.2331206741382887
Energy: 1.4504012511006181
Energy: 1.4076390779478558
Energy: 1.236159785830559
Energy: 1.272327715073732
Energy: 1.234827561195975
Energy: 1.4510773947447877
Energy: 1.4404870808876942
Energy: 1.334010373547409
Energy: 1.3045551892377187
Energy: 1.321198334865455
Energy: 1.3437928766379004
Energy: 1.2752294520028182
Energy: 1.5702057663485156
Energy: 1.304907995074981
Energy: 1.2996371206165085
Energy: 1.2833719244809043
Energy: 1.3243577798138173
Energy: 1.2953340408005414
Energy: 1.6091435274766563
Energy: 1.3151537886649443
Energy: 1.259628118429499
Energy: 1.5607451166889164
Energy: 1.2635334420728892
Energy: 1.3304198763786605
Energy: 1.6726646697770398
Energy: 1.2600457319267149
Energy: 1.2733323675502315
Energy: 1.2705212768595349
Energy: 1.263258760227148
Energy: 1.290970859830999
Energy: 1.6734631244808829
Energy: 1.2608334495953974
Energy: 1.3308114313788202
Energy: 1.4009114870859274
Energy: 1.3035724434183649
Energy: 1.2677446478541217
Energy: 1.8283502278045964
Energy: 1.3032446629581573
Energy: 1.3255612984519807
Energy: 1.5642489964073296
Energy: 1.2753333819833588
Energy: 1.2731722367011389
Energy: 1.816123252695213
Energy: 1.3224164827562566
Energy: 1.3663273383991321
Energy: 1.383482737025456
Energy: 1.260944756241893
Energy: 1.3354887799631032
Energy: 1.8964731290420735
Energy: 1.3191404375256957
Energy: 1.4269948834761819
Energy: 1.333573959207873
Energy: 1.3967000005936487
Energy: 1.256952710409058
Energy: 2.1102624861509334
Energy: 1.296730490175007
Energy: 1.2704578475569708
Energy: 1.2801655030370296
Energy: 1.2874955257729668
Energy: 1.2509638355985784
Energy: 2.129625828213884
Energy: 1.267230587453431
Energy: 1.216920571756317
Energy: 1.3294958841106466
Energy: 1.2280646866687948
Energy: 1.255962017230996
Energy: 1.955693043954305
Energy: 1.2196639716980096
Energy: 1.218538925030181
Energy: 1.3023939614015447
Energy: 1.2248649826672062
Energy: 1.2656366992381527
Energy: 1.954715879740701
Energy: 1.2004085738481556
Energy: 1.105332954274622
Energy: 1.089308535690294
Energy: 1.0952654070759693
Energy: 1.2555167678438943
Energy: 2.2925378855343452
Energy: 1.2462948577284116
Energy: 1.0585563393037425
Energy: 1.053827641424176
Energy: 1.059089067106012
Energy: 1.2227326151757352
Energy: 2.241571179141841
Energy: 1.0947433168649703
Energy: 1.0827632614577147
Energy: 1.097071743453144
Energy: 1.0960607230578379
Energy: 1.2476959718167995

minimum gb energy = 0.9283519795202421 eV
minimum distance =  2.21052014192735 Angstroms
sigma value = 81


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

Energy: 2.293310837248169
Energy: 1.4218983050707752
Energy: 1.1871378895525242
Energy: 1.1852941137120763
Energy: 1.1842557711259272
Energy: 1.5200530013731084
Energy: 2.154625006191558
Energy: 1.1368909015499205
Energy: 1.053395703930685
Energy: 1.054430928690783
Energy: 1.040687414731294
Energy: 1.3730365324894007
Energy: 2.2004758880189357
Energy: 1.143198250015
Energy: 1.0411109346991325
Energy: 1.0418830647557153
Energy: 1.0409798287585799
Energy: 1.3655780759377258
Energy: 2.3690823280747364
Energy: 1.198986508463996
Energy: 1.1088271728064552
Energy: 1.0466494654251173
Energy: 1.1089348852592962
Energy: 1.4523725131086596
Energy: 2.3664819676109268
Energy: 1.2423700864143226
Energy: 1.2765667644058367
Energy: 1.2022723915005722
Energy: 1.1954855405772333
Energy: 1.4598790830716295
Energy: 2.1237033298300156
Energy: 1.2636252694165668
Energy: 1.2458169001514936
Energy: 1.231204680326571
Energy: 1.2289497468291533
Energy: 1.4943771205061416
Energy: 2.1168141035485566
Energy: 1.2574847198949777
Energy: 1.2480309632456605
Energy: 1.2026929895254033
Energy: 1.255582609932037
Energy: 1.4418699661289163
Energy: 2.009974108491452
Energy: 1.4135152647548632
Energy: 1.596680643580473
Energy: 1.230622850406147
Energy: 1.3438910388404355
Energy: 1.4157582482569353
Energy: 1.9217500093046742
Energy: 1.5075699076533542
Energy: 1.4545699222889457
Energy: 1.5014934242393903
Energy: 1.4276412154274738
Energy: 1.4884160764384031
Energy: 1.9273424106879264
Energy: 1.4840140628377465
Energy: 1.47653152849284
Energy: 1.5920405204170325
Energy: 1.4411951217052332
Energy: 1.4517923581060088
Energy: 1.6972202632467979
Energy: 1.4264806854143377
Energy: 1.4714329307655054
Energy: 1.626190218293014
Energy: 1.4659253397462808
Energy: 1.4286769715969982
Energy: 1.9308669526226223
Energy: 1.4565256314733837
Energy: 1.4580242114557056
Energy: 1.847333576345527
Energy: 1.450393641137021
Energy: 1.5062080321023936
Energy: 1.5385295837018107
Energy: 1.4368508807063192
Energy: 1.4570357777316372
Energy: 1.8507525206530357
Energy: 1.3851870255710241
Energy: 1.4070488777519896
Energy: 1.5403992655496888
Energy: 1.4470560830841577
Energy: 1.4125370417190544
Energy: 1.8408554101620211
Energy: 1.4246800732686817
Energy: 1.4261259368847725
Energy: 1.5695897514956263
Energy: 1.3491357399304051
Energy: 1.4352135828069446
Energy: 1.7088965298968646
Energy: 1.434941955707566
Energy: 1.3517465796787065
Energy: 1.4254867704303193
Energy: 1.5927622521649598
Energy: 1.3484665776669769
Energy: 1.8996306177262505
Energy: 1.4461648750258662
Energy: 1.5822426782444712
Energy: 1.3150149783071863
Energy: 1.3671357297831737
Energy: 1.3534153504262525
Energy: 1.509136244834773
Energy: 1.402505060799041
Energy: 1.3260425234259088
Energy: 1.3335197985852054
Energy: 1.3221846035519804
Energy: 1.3511583368709152
Energy: 1.5142674338816868
Energy: 1.3453082505262117
Energy: 1.3466833827376787
Energy: 1.3147109625915567
Energy: 1.3153728939510305
Energy: 1.3284511789663682
Energy: 1.8020871516832047
Energy: 1.316977624478454
Energy: 1.3433343254439547
Energy: 1.140210198448748
Energy: 1.144172125594709
Energy: 1.1409749077283338
Energy: 1.4312992259920834
Energy: 1.146134465844262
Energy: 1.1316867464431424
Energy: 1.1363377092391502
Energy: 1.1248430263404068
Energy: 1.1288838271202966
Energy: 1.5150105578242736
Energy: 1.1294971488777141
Energy: 1.1358959364565642
Energy: 1.1375364499781893
Energy: 1.1621136825836822
Energy: 1.174476856366207
Energy: 1.4393822117990729
Energy: 1.1638417002871224
Energy: 1.1425410090191106
Energy: 1.376295357027505
Energy: 1.394303773407126
Energy: 1.5691481200759143
Energy: 2.3150599816258115
Energy: 1.377490880486243
Energy: 1.3943190300327597
Energy: 1.2693821777848528
Energy: 1.163002692918343
Energy: 1.1939548181623456
Energy: 1.5524274070452504
Energy: 1.1648995191163563
Energy: 1.1628518594890185
Energy: 1.2044547560589567
Energy: 1.1422776125562513
Energy: 1.1845139301049734
Energy: 1.748181135204189
Energy: 1.1775928043808024
Energy: 1.1687317726895627
Energy: 1.2127924835698096
Energy: 1.2031097873592702
Energy: 1.197793940015539
Energy: 1.4206137870453945
Energy: 1.2026138643207553
Energy: 1.204899985256084
Energy: 1.5822632814995834
Energy: 1.430172621045927
Energy: 1.4300278980916652
Energy: 1.4615928280818833
Energy: 1.4225285241960404
Energy: 1.4553949775026187
Energy: 1.5007374271845666
Energy: 1.4322108555755617
Energy: 1.490915267115329
Energy: 1.9601345911845265
Energy: 1.4459938887408559
Energy: 1.4457834829817195
Energy: 1.5853764355833213
Energy: 1.479975695192603
Energy: 1.4263410844340638
Energy: 1.481334794585687
Energy: 1.4890754933222055
Energy: 1.471427099417667
Energy: 1.5695287609598565
Energy: 1.576784401619377
Energy: 1.4566870195211183
Energy: 1.7719634093905872
Energy: 1.558875416049779
Energy: 1.62031852824033
Energy: 1.8204194995759595
Energy: 1.420810824229194
Energy: 1.629974823998545
Energy: 1.5606139160221888
Energy: 1.5209961055419035
Energy: 1.422685785078699
Energy: 1.9129307549879546
Energy: 1.5122633728734491
Energy: 1.5155272858725302
Energy: 1.5648489667428493
Energy: 1.497985217685515
Energy: 1.4652033873266057
Energy: 1.9172469682053377
Energy: 1.4907305466640792
Energy: 1.4239567355682452
Energy: 1.5759789666309287
Energy: 1.4236557632883529
Energy: 1.4912481825137287
Energy: 2.190317680794732
Energy: 1.4406056448619808
Energy: 1.4529366823712417
Energy: 1.5753344950589516
Energy: 1.4307214283321061
Energy: 1.4749788955683667
Energy: 1.8988769038316748
Energy: 1.4134198885497233
Energy: 1.2630950130407426
Energy: 1.2627488143191365
Energy: 1.26387512745938
Energy: 1.440365876358038
Energy: 2.20149116355417
Energy: 1.2600983057323416
Energy: 1.224889544162804
Energy: 1.2191367011990015
Energy: 1.2236750806366707
Energy: 1.3437795061946618
Energy: 2.1440610882966733
Energy: 1.372242260350853
Energy: 1.269887608462524
Energy: 1.2573395094288893
Energy: 1.2512610267715336
Energy: 1.3720932161748967
Energy: 2.202632444125178
Energy: 1.2837057549417534
Energy: 1.1853849217125045
Energy: 1.1849656193775693
Energy: 1.1856159859129651
Energy: 1.4378472900512245

minimum gb energy = 1.040687414731294 eV
minimum distance =  2.29474270334516 Angstroms
sigma value = 43


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

Energy: 2.1228091352977336
Energy: 1.5340023699659262
Energy: 1.262971407356686
Energy: 1.2635202204463383
Energy: 1.263325066054374
Energy: 2.1651560614504772
Energy: 2.0380060695783477
Energy: 1.0995527215499366
Energy: 1.0985497123233678
Energy: 1.0981399306620239
Energy: 1.099327685054592
Energy: 1.597066415785402
Energy: 2.0428591351118963
Energy: 1.0977755449889504
Energy: 1.1039525341052547
Energy: 1.0987737509079416
Energy: 1.1037401136307459
Energy: 1.3463582102384917
Energy: 2.22681296496326
Energy: 1.331579066916591
Energy: 1.1063286479506074
Energy: 1.1075575680764107
Energy: 1.1064051637949954
Energy: 1.5593270348321158
Energy: 2.1838443991395753
Energy: 1.3201580730615705
Energy: 1.3331481446808673
Energy: 1.2988474307517994
Energy: 1.3286242128227517
Energy: 1.37855775053561
Energy: 2.044935773853205
Energy: 1.3456465068335461
Energy: 1.339528186414086
Energy: 1.33203335116558
Energy: 1.3381842322654143
Energy: 1.3622092145378168
Energy: 2.0028749677034647
Energy: 1.3428067832998227
Energy: 1.3585661514091643
Energy: 1.33334808038591
Energy: 1.3583516208442898
Energy: 1.347554224991895
Energy: 1.773056034410557
Energy: 1.5400751702815152
Energy: 1.6325552871999736
Energy: 1.3212236357737328
Energy: 1.4420729288027878
Energy: 1.5533124560387825
Energy: 1.7482598098910003
Energy: 1.6392496269995314
Energy: 1.5822073217500814
Energy: 1.5658773724187394
Energy: 1.5696596962597236
Energy: 1.6136071823585336
Energy: 1.7402054281169546
Energy: 1.5977153314304071
Energy: 1.5296019885490437
Energy: 1.7349459036271935
Energy: 1.591539489555829
Energy: 1.5907540466651646
Energy: 1.7859973926514991
Energy: 1.559563627055196
Energy: 1.5764663302610644
Energy: 1.7751475026826098
Energy: 1.602701859264177
Energy: 1.5584965032750127
Energy: 1.7492638323258736
Energy: 1.5889616493729088
Energy: 1.6193291709269364
Energy: 2.0028451772665283
Energy: 1.5657575813837592
Energy: 1.5946405413198717
Energy: 1.3499523604600083
Energy: 1.3400693243000508
Energy: 1.5230594756040097
Energy: 2.0156263684406137
Energy: 1.5421581468936814
Energy: 1.3648013900665985
Energy: 1.3298796947269336
Energy: 1.3310132592280965
Energy: 1.6063365938409824
Energy: 1.9724173914061895
Energy: 1.3624281505504787
Energy: 1.31902950266672
Energy: 1.3592658133456386
Energy: 1.381176909010794
Energy: 1.5877470064932897
Energy: 1.7375769022635024
Energy: 1.3782168536839394
Energy: 1.3821226950017937
Energy: 1.2632274811817483
Energy: 1.2630967493754999
Energy: 1.5397822275102413
Energy: 2.028594301976103
Energy: 1.3299665148600317
Energy: 1.2635100070094536
Energy: 1.0891510887760296
Energy: 1.0886177337806748
Energy: 1.3587313377328794
Energy: 1.9271058355630624
Energy: 1.0959840155159848
Energy: 1.0889266296393896
Energy: 1.1028573107725121
Energy: 1.1042917975968298
Energy: 1.3462268833869404
Energy: 1.9722069234745334
Energy: 1.09737336294372
Energy: 1.1039756481870924
Energy: 1.105842170249103
Energy: 1.1065289554027258
Energy: 1.355320431604446
Energy: 1.5809275253275845
Energy: 1.3316080800578232
Energy: 1.106105449768811
Energy: 1.2987928175667767
Energy: 1.332678804084499
Energy: 1.3199027634142455
Energy: 1.3712647580803006
Energy: 1.3306369992255065
Energy: 1.3362999635871815
Energy: 1.3434787064115357
Energy: 1.3614715253572642
Energy: 1.3458487749326897
Energy: 1.9723489864819739
Energy: 1.3455360213015743
Energy: 1.350917285055891
Energy: 1.292952662664509
Energy: 1.3583987006305633
Energy: 1.3661541735005982
Energy: 1.7697023253960649
Energy: 1.3585611348901971
Energy: 1.3272957590049386
Energy: 1.3195416992611857
Energy: 1.4089719146677402
Energy: 1.6852696252504953
Energy: 1.9323989450776433
Energy: 1.6453044140509379
Energy: 1.3416091567312036
Energy: 1.5656201302916921
Energy: 1.5692392149459722
Energy: 1.6478458173454726
Energy: 1.7380920531644748
Energy: 1.612933195762067
Energy: 1.565263972757846
Energy: 1.7970401678854062
Energy: 1.538466578181386
Energy: 1.576325083812312
Energy: 1.78777916338193
Energy: 1.6049527444307174
Energy: 1.5289992027348096
Energy: 1.8104887385736212
Energy: 1.5983456046245428
Energy: 1.5357245500171086
Energy: 1.778648189138432
Energy: 1.5701353074476885
Energy: 1.5714346505412764
Energy: 1.9827272388973989
Energy: 1.5825139169372886
Energy: 1.5881051999515485
Energy: 1.7790037211974061
Energy: 1.5457019685092452
Energy: 1.5993381126673258
Energy: 2.0020955882713767
Energy: 1.5397676319598697
Energy: 1.3405917476048914
Energy: 1.3191815866776349
Energy: 1.3413297665315433
Energy: 1.5230789699013672
Energy: 1.9790717715233268
Energy: 1.3620355265258293
Energy: 1.3322488068941132
Energy: 1.3311798826130392
Energy: 1.3615132695983583
Energy: 1.5956585561871053
Energy: 1.989124192843311
Energy: 1.5596636629742116
Energy: 1.3829283043458631
Energy: 1.360315667893528
Energy: 1.374263875495315
Energy: 1.6133322086340356
Energy: 2.0400732696597927
Energy: 1.3249712407933754
Energy: 1.2631661687947275
Energy: 1.2635820428030964
Energy: 1.3548131461061104
Energy: 1.5401834573988122

minimum gb energy = 1.0886177337806748 eV
minimum distance =  2.30090999012425 Angstroms
sigma value = 57


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

Energy: 1.928773085163977
Energy: 1.6975809533374349
Energy: 1.3479863263333889
Energy: 1.3481850307565637
Energy: 1.3489259019827184
Energy: 1.740338504439158
Energy: 2.0983103338369946
Energy: 1.1747729655853976
Energy: 1.1623587633926098
Energy: 1.1807752273193566
Energy: 1.169484286184158
Energy: 1.472944427594624
Energy: 2.039676863834207
Energy: 1.1719317360151051
Energy: 1.1872122268453587
Energy: 1.1981294059896832
Energy: 1.1759590802111408
Energy: 1.479569824728271
Energy: 2.1226745215809526
Energy: 1.4702019171935303
Energy: 1.15890971420872
Energy: 1.1886938089461567
Energy: 1.1588212036092438
Energy: 1.8187372123064147
Energy: 2.1709091365078548
Energy: 1.4630370233408883
Energy: 1.4999591866566673
Energy: 1.4624338874485079
Energy: 1.465103632562103
Energy: 1.5644575926981001
Energy: 2.0618930529742903
Energy: 1.4749146154545891
Energy: 1.4761262398786226
Energy: 1.493469682399662
Energy: 1.4878700330578247
Energy: 1.4740529057650018
Energy: 2.062372465761186
Energy: 1.492867073344056
Energy: 1.4802283498691573
Energy: 1.5111847169580936
Energy: 1.4728534252232142
Energy: 1.5596787770538376
Energy: 1.5222774398846337
Energy: 1.7608305831348983
Energy: 1.5037965144315664
Energy: 1.4490302563003294
Energy: 1.501733428251418
Energy: 1.7932893574726887
Energy: 1.571884826913068
Energy: 1.8220227567946057
Energy: 1.7856953346604805
Energy: 1.8404661012161727
Energy: 1.7791750419445047
Energy: 1.7797333042152528
Energy: 1.530061811703182
Energy: 1.4729069278949687
Energy: 1.7414566634425592
Energy: 1.8016977795406415
Energy: 1.4732910316002554
Energy: 1.512669434844895
Energy: 1.5190090036337918
Energy: 1.476310235914747
Energy: 1.745239204985874
Energy: 1.8405338821960746
Energy: 1.4804493366192695
Energy: 1.5182273788517207
Energy: 1.4737334089726013
Energy: 1.4870511993247433
Energy: 1.4776132060610336
Energy: 2.312217874771128
Energy: 1.4692673517978077
Energy: 1.4911348394834112
Energy: 1.3604508291557056
Energy: 1.1929682083795143
Energy: 1.4678809391584715
Energy: 1.72981666334847
Energy: 1.1803261300119217
Energy: 1.158794907421001
Energy: 1.1899711671446997
Energy: 1.1716606121839903
Energy: 1.4731462813786764
Energy: 1.8691577692815278
Energy: 1.1725061718454086
Energy: 1.1960142114797625
Energy: 1.1984311595162556
Energy: 1.1689252214687336
Energy: 1.4875539241057862
Energy: 1.8773912394087422
Energy: 1.1824752324350414
Energy: 1.1689723758621338
Energy: 1.3481426365590774
Energy: 1.3484276193198244
Energy: 1.7322965105559343
Energy: 2.2873447106336284
Energy: 1.4651260682645706
Energy: 1.3483458300665003
Energy: 1.4695261431439377
Energy: 1.5017102290221382
Energy: 1.4886331532418482
Energy: 1.800334738049902
Energy: 1.4890251003990413
Energy: 1.4955781232490932
Energy: 1.4669911105921574
Energy: 1.4655583384493973
Energy: 1.4742670350799532
Energy: 1.8247846600152828
Energy: 1.4802899484790861
Energy: 1.4924468180135004
Energy: 1.4627448802370775
Energy: 1.4734491541190449
Energy: 1.7587428114245285
Energy: 1.805617766921823
Energy: 1.5124931912272925
Energy: 1.510182812994045
Energy: 1.7781506138734355
Energy: 1.7735374274269011
Energy: 1.7966997284861803
Energy: 2.085736285695514
Energy: 1.7530688985900453
Energy: 1.7922387855434159
Energy: 1.8463805423063504
Energy: 1.7465371147795001
Energy: 1.4742160172390149
Energy: 1.479162679798173
Energy: 1.5035741274065222
Energy: 1.806108314720423
Energy: 1.7658005141041293
Energy: 1.4730673113773556
Energy: 1.484957323959088
Energy: 1.5089528269997603
Energy: 1.4728054911889288
Energy: 1.7582784400930445
Energy: 1.879284916474668
Energy: 1.4758715570292378
Energy: 1.5310507159849172
Energy: 1.5422539361680947
Energy: 1.483756956582368
Energy: 1.7454621477729642
Energy: 2.429621742148559
Energy: 1.4648539488106809
Energy: 1.483990329363822
Energy: 1.4147967050950243
Energy: 1.4918289603571224
Energy: 1.4718475381172103

minimum gb energy = 1.158794907421001 eV
minimum distance =  2.26778719669522 Angstroms
sigma value = 17


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

Energy: 2.5135050219535526
Energy: 1.8865383049942945
Energy: 1.5135766788396905
Energy: 1.5640556492247315
Energy: 1.5138293076752463
Energy: 1.999571525644305
Energy: 1.3351447974064445
Energy: 1.2468258768274498
Energy: 1.2816527235542734
Energy: 1.2884491743799031
Energy: 1.2804821810606517
Energy: 1.6766484501806944
Energy: 1.3313213127548966
Energy: 1.2466572993402962
Energy: 1.278180595967733
Energy: 1.2770438185803423
Energy: 1.285391994993167
Energy: 1.7290554547198365
Energy: 1.7876016816326425
Energy: 1.654139094412948
Energy: 1.2572910336717902
Energy: 1.3358331122450005
Energy: 1.255413350984724
Energy: 1.6567632253116706
Energy: 1.7865112730048782
Energy: 1.6577348867907786
Energy: 1.676683247462617
Energy: 1.3310358337307828
Energy: 1.654210818264968
Energy: 1.715591902677735
Energy: 1.8082271059341934
Energy: 1.391855044981519
Energy: 1.6566559226009925
Energy: 1.23501840563203
Energy: 1.6629480823573946
Energy: 1.390346940431033
Energy: 1.8318806759714112
Energy: 1.6021966173866011
Energy: 1.562156201303797
Energy: 1.3559617541535613
Energy: 1.3906808472646834
Energy: 1.7857365832399996
Energy: 1.8507369844579444
Energy: 1.7127097115714298
Energy: 1.6709873936862736
Energy: 1.3784879697967933
Energy: 1.7140527651305828
Energy: 1.7692953020041973
Energy: 1.3689368370767168
Energy: 1.679506892057448
Energy: 1.9940139183976557
Energy: 2.2755065697434858
Energy: 1.6988348302316933
Energy: 1.3064674566835661
Energy: 1.3022986730571717
Energy: 1.3013066792307038
Energy: 1.2541554344121775
Energy: 2.161771624319381
Energy: 1.2808208956962552
Energy: 1.303464918260954
Energy: 1.2821679795473364
Energy: 1.2833908504402987
Energy: 1.257804065339266
Energy: 1.3645553648207132
Energy: 1.2560213760237613
Energy: 1.2833567521877751
Energy: 1.2975795609832046
Energy: 1.2562183093439077
Energy: 1.6861690807698366
Energy: 1.787908796509555
Energy: 1.2564100067986042
Energy: 1.3081755446741279
Energy: 1.3871171931261663
Energy: 1.676913817197689
Energy: 1.6543861669078794
Energy: 1.7911607785912984
Energy: 1.6542584965413742
Energy: 1.3066010571158937
Energy: 1.2348982408349196
Energy: 1.6580548067978629
Energy: 1.392605802556537
Energy: 1.3318335138187323
Energy: 1.3962435709255923
Energy: 1.2350796225055174
Energy: 1.3289080868093441
Energy: 1.3895589271190714
Energy: 1.5972713542033212
Energy: 1.8161012807163175
Energy: 1.3899985417594878
Energy: 1.6783892862541199
Energy: 1.305949330303982
Energy: 1.3919274108638884
Energy: 1.7054819238090566
Energy: 1.778058557071383
Energy: 1.7065500021877829
Energy: 1.3023218560778582
Energy: 2.3197239143325277
Energy: 1.6555517364028238
Energy: 1.7244541119949808
Energy: 1.3592243571280795
Energy: 1.6769008523107438
Energy: 2.1790269863483234

minimum gb energy = 1.2348982408349196 eV
minimum distance =  2.19340110272109 Angstroms
sigma value = 17


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

Energy: 2.890476904122511
Energy: 1.931822409644013
Energy: 1.577316071388802
Energy: 1.5790420150104394
Energy: 1.5806991078777726
Energy: 2.0278269794943293
Energy: 1.72401004365574
Energy: 1.3204896458616047
Energy: 1.3444901290107116
Energy: 1.3421067623828005
Energy: 1.320330117556745
Energy: 1.6013563787421847
Energy: 1.9659348059009856
Energy: 1.3335951895970168
Energy: 1.3416195191508564
Energy: 1.3390803168023229
Energy: 1.3407301177741011
Energy: 1.7985732052197547
Energy: 2.014784802540088
Energy: 1.9091028167405752
Energy: 1.3384511309636598
Energy: 1.337933093543331
Energy: 1.3457061605056773
Energy: 1.9323129339137288
Energy: 1.9198781219708465
Energy: 2.088902210606068
Energy: 2.1590804182860013
Energy: 1.7936238280832175
Energy: 2.0716753657821343
Energy: 2.1122585924382316
Energy: 1.3764595150333545
Energy: 1.3450197740443028
Energy: 2.090354407651273
Energy: 2.2080435119128143
Energy: 2.052172944329385
Energy: 1.3397451148047577
Energy: 1.342850046733063
Energy: 1.3392778345121752
Energy: 1.3365040007184836
Energy: 1.9964246907697047
Energy: 1.3358415260522731
Energy: 1.3465298442085147
Energy: 1.3148450775116833
Energy: 1.3154711541744049
Energy: 1.3137314141616436
Energy: 1.8362567236515557
Energy: 1.3195144804994694
Energy: 1.3219256894740639
Energy: 1.565898257329069
Energy: 1.3398914227705017
Energy: 2.0475167399347822
Energy: 2.3534512355003754
Energy: 1.585912402860047
Energy: 1.5075159526715092
Energy: 1.5639907862084983
Energy: 1.5833185432028312
Energy: 1.5810584420367997
Energy: 2.0940681453436447
Energy: 1.573075942785612
Energy: 1.601451971046276
Energy: 1.6000470181441198
Energy: 1.5810344228531972
Energy: 1.6856094259378278
Energy: 1.9698374494957809
Energy: 1.6692103285298192
Energy: 1.5900255883115595
Energy: 1.5602449098692337
Energy: 1.6779620207267432
Energy: 1.8610162254869962
Energy: 1.9884039595467669
Energy: 1.8952165106727699
Energy: 1.6093892281956972
Energy: 1.6695276894033466
Energy: 1.853219298326547
Energy: 1.940357334787263
Energy: 1.99753074209089
Energy: 1.920721878243352
Energy: 1.8893931819922511
Energy: 2.220689897134502
Energy: 1.9828862394924633
Energy: 1.3085988637892148
Energy: 1.3190376084649942
Energy: 1.93324466190922
Energy: 2.0866947052435108
Energy: 1.8085599767211913
Energy: 1.2808298182488458
Energy: 1.285150736407702
Energy: 1.2933593200973934
Energy: 1.2872880195133816
Energy: 1.7482793916197958
Energy: 1.8799576407133538
Energy: 1.2752665803763032
Energy: 1.2837118211981349
Energy: 1.2856173737092584
Energy: 1.2738079233439237
Energy: 1.2747845450246278
Energy: 2.313343711658871
Energy: 1.2901276511073005
Energy: 1.298463462235812
Energy: 1.3359241064366716
Energy: 1.2977488402326136
Energy: 2.1035884922267134
Energy: 2.3120908278565953
Energy: 1.939526400162804
Energy: 2.012395675609091
Energy: 1.5786693766811415
Energy: 1.7198395694936512
Energy: 1.9174334897495293
Energy: 1.5651886556932708
Energy: 1.8970759962636288
Energy: 1.9983808466335145
Energy: 1.7976582050489098
Energy: 1.9323057367210221
Energy: 1.674014988500057
Energy: 1.5581249890848596
Energy: 1.6783573484485774
Energy: 1.86126326942439
Energy: 1.9525133471439649
Energy: 1.8984051159555777
Energy: 1.6011508189486885
Energy: 1.5898222494976348
Energy: 1.5840640000205515
Energy: 1.6477795861349576
Energy: 1.867644817692006
Energy: 1.6471223759250384
Energy: 1.5800372634432123
Energy: 1.5350468825002181
Energy: 1.6238137430426158
Energy: 1.7678299961214197
Energy: 2.4793149275030166
Energy: 1.6118461688396666
Energy: 1.6288202574672177
Energy: 1.343036696371136
Energy: 1.3418492212646962
Energy: 1.3184037756543705
Energy: 2.1259825604432696
Energy: 1.3358950260528604
Energy: 1.340977790435642
Energy: 1.317479381414701
Energy: 1.3201028066655167
Energy: 1.3339497971454524
Energy: 1.891076567771836
Energy: 1.3153628749027306
Energy: 1.3189427966280347
Energy: 1.342593374915771
Energy: 1.3451031930187967
Energy: 1.6868884138660065
Energy: 2.3224399954481507
Energy: 1.3459629666447943
Energy: 1.3381131243086244
Energy: 1.3711942591428903
Energy: 1.7006556384021108
Energy: 2.060492228203647
Energy: 1.9908174641198353
Energy: 2.080056508073726
Energy: 1.7009222039887124
Energy: 2.239213915984301
Energy: 2.0809879181059374
Energy: 1.991240766571695
Energy: 1.3581794493598547
Energy: 2.0437969249456187
Energy: 2.071275386803034
Energy: 2.16289200366427
Energy: 1.33955932232932
Energy: 1.3394313927630752
Energy: 1.3361292860429987
Energy: 1.3410299108741703
Energy: 2.0023274579648676
Energy: 2.037649726765789
Energy: 1.3147656841527113
Energy: 1.3162061980799962
Energy: 1.3290068451741823
Energy: 1.315883123975333
Energy: 1.334357175694035
Energy: 2.3581698261064634
Energy: 1.3290674184003783
Energy: 1.337196893031598
Energy: 1.3428401768789822
Energy: 1.342139460508101
Energy: 1.7490477480653088
Energy: 2.3606345520907643
Energy: 1.3452728533018747
Energy: 1.6211704594903977
Energy: 1.5887243719173105
Energy: 1.3437154869054517
Energy: 1.4928486353763004
Energy: 2.026224532162443
Energy: 1.6433452419016996
Energy: 1.5729488592159437
Energy: 1.5659301316728418
Energy: 1.5693851601246267
Energy: 1.6566381658753608
Energy: 1.947634199980418
Energy: 1.6878143616709307
Energy: 1.5939851027066796
Energy: 1.560154761761549
Energy: 1.8985588550516255
Energy: 2.0056200888455766
Energy: 2.0825358209823976
Energy: 1.9221875048361932
Energy: 1.6799859274298126
Energy: 1.5769472022374995
Energy: 1.8835841577368357
Energy: 1.9295393732773778
Energy: 1.5680772130362812
Energy: 1.9713424158937474
Energy: 1.7135786172595813
Energy: 2.1907407454220214
Energy: 1.7230179545730089
Energy: 1.978366856920426
Energy: 1.290011411476062
Energy: 1.2907073215379858
Energy: 1.5471397686855202
Energy: 2.188586995168122
Energy: 1.2996187013488651
Energy: 1.289754245386846
Energy: 1.2919203452313381
Energy: 1.280643338836638
Energy: 1.2741208923592864
Energy: 1.9039353875264067
Energy: 1.2747726103261579
Energy: 1.2719900985826345
Energy: 1.2970740021991534
Energy: 1.2961365930000062
Energy: 1.2807378210235332
Energy: 1.9689683812074281
Energy: 1.2849996848509007
Energy: 1.2917283944998403
Energy: 1.3163850393513865
Energy: 2.014163645841978
Energy: 1.9070610190718527
Energy: 2.0144962065597163
Energy: 2.0449695493453226
Energy: 1.6346653180046589
Energy: 1.8036686259629975
Energy: 1.9318549968953656
Energy: 1.6780296046145236
Energy: 1.568211104916809
Energy: 1.9804489791919593
Energy: 1.9403348691911781
Energy: 1.9497079910286987
Energy: 1.9175200407292732
Energy: 1.6767692652701318
Energy: 1.5626756418860714
Energy: 1.897542403150627
Energy: 1.9745933843687151
Energy: 1.932194229270032
Energy: 1.6679991476519809
Energy: 1.5868498293289655
Energy: 1.5963204095089079
Energy: 1.589409060010239
Energy: 2.01474346084374
Energy: 1.9423273148599787
Energy: 1.5786943919175118
Energy: 1.5984409268055695
Energy: 1.585498491687153
Energy: 1.346053892706277
Energy: 1.5342211622743256

minimum gb energy = 1.2719900985826345 eV
minimum distance =  2.19463043084365 Angstroms
sigma value = 57


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

Energy: 2.1590773336221427
Energy: 2.0109311226994855
Energy: 1.6018750281276686
Energy: 1.6020758433968008
Energy: 1.604494508174498
Energy: 2.1044670090888276
Energy: 1.887000220685285
Energy: 1.3225247568723297
Energy: 1.3514360590779209
Energy: 1.3555270780704523
Energy: 1.3227283960274132
Energy: 1.7275411604101791
Energy: 1.7313680387005046
Energy: 1.3423248224968125
Energy: 1.3410352672214596
Energy: 1.3478487792424543
Energy: 1.3396442049161068
Energy: 1.7397602408104724
Energy: 1.7675541201193545
Energy: 1.6408013983004965
Energy: 1.3558403355959192
Energy: 1.3666981182797477
Energy: 1.3551541700746241
Energy: 2.0303465027046355
Energy: 2.2942386655728835
Energy: 1.9866330851336214
Energy: 2.1800125988389802
Energy: 2.0493675614260503
Energy: 2.0410076576063156
Energy: 2.039895283114438
Energy: 1.3863045800371827
Energy: 1.6248863138248377
Energy: 1.9897405294617436
Energy: 2.0723621820612603
Energy: 2.0707568764389666
Energy: 1.3894580057723005
Energy: 1.3728283647144954
Energy: 1.3540673810349357
Energy: 1.3432700390402526
Energy: 1.7780629958312595
Energy: 1.3483661517820205
Energy: 1.3708820987694634
Energy: 1.3424916717959865
Energy: 1.342644742558731
Energy: 1.3109590846678518
Energy: 1.7959332850808958
Energy: 1.3114220334670714
Energy: 1.3423410593313936
Energy: 1.590900439271811
Energy: 1.3490341650215432
Energy: 2.051202188867288
Energy: 1.7934736361246006
Energy: 1.3612875670226021
Energy: 1.5913713701982222
Energy: 1.7621553957509883
Energy: 1.3508443980299485
Energy: 1.6878412277123098
Energy: 2.2707801245652828
Energy: 1.6733168020860236
Energy: 1.7898393647926234
Energy: 1.391305594583814
Energy: 1.7157214170550315
Energy: 1.7163949576930604
Energy: 1.7295317165689468
Energy: 1.5093494181482503
Energy: 1.719145433153233
Energy: 1.7344950706075037
Energy: 1.9386257761471717
Energy: 1.727906879985339
Energy: 1.7484359315441047
Energy: 1.7174035985831464
Energy: 1.8108382171536122
Energy: 1.3934596775876213
Energy: 1.7047236651810473
Energy: 1.7204603547989221
Energy: 1.750514416344652
Energy: 1.7385026178845178
Energy: 1.5137033219550253
Energy: 2.1327284887070244
Energy: 1.7893341976359896
Energy: 1.763196727410595
Energy: 1.3821235998413208
Energy: 1.7551980856289264
Energy: 2.099704521822886
Energy: 2.020665936992012
Energy: 1.3308751588456027
Energy: 1.3567916374951114
Energy: 1.356476751241071
Energy: 1.3502086976735168
Energy: 1.3214568314982407
Energy: 1.9203947654296631
Energy: 1.3388549544283788
Energy: 1.3197831390944976
Energy: 1.3393314473543896
Energy: 1.3414745340855285
Energy: 1.7400777403669074
Energy: 1.73533819385075
Energy: 1.7660387400548363
Energy: 1.3534252967443618
Energy: 1.3517547307036386
Energy: 1.3482894333216
Energy: 1.650970003440844
Energy: 2.2581432725844293
Energy: 2.0410718705432864
Energy: 2.1450487722223595
Energy: 1.7569036771248496
Energy: 2.0395013499247656
Energy: 2.0444714301642777
Energy: 1.358443758137608
Energy: 1.6249654841887269
Energy: 2.1320931092582813
Energy: 2.1557111135480156
Energy: 2.088498971491401
Energy: 1.3594046575172263
Energy: 1.3772205860409261
Energy: 1.355213807400467
Energy: 1.3418494828762035
Energy: 1.7289773232494063
Energy: 1.3484599691998673
Energy: 1.374092174750528
Energy: 1.342221145665821
Energy: 1.348321442110462
Energy: 1.3411241868235035
Energy: 1.7878278279876465
Energy: 1.322449143685985
Energy: 1.3476209949686888
Energy: 1.578349350840157
Energy: 1.3483416067271576
Energy: 2.0557892538982077
Energy: 2.2912646863438404
Energy: 1.361943987287163
Energy: 1.3600243999498847
Energy: 1.3830703939442914
Energy: 1.3615739064082173
Energy: 1.736059914893877
Energy: 2.2918309267373136
Energy: 1.6742074258789779
Energy: 1.8208319015869798
Energy: 1.3969284529239525
Energy: 1.6868004894587685
Energy: 1.715744184328667
Energy: 1.7292416641236426
Energy: 1.7249331210183827
Energy: 1.7181934718655145
Energy: 1.731346025593207
Energy: 1.510026851935287
Energy: 1.7432389888779756
Energy: 1.7454754690472003
Energy: 1.7175602791770217
Energy: 1.752882945883111
Energy: 1.798365127583849
Energy: 1.704782329356057
Energy: 1.6934605519930335
Energy: 1.7530443997454987
Energy: 1.7445758091286527
Energy: 1.7142706401229943
Energy: 2.1110640463657497
Energy: 1.7783577386570262
Energy: 1.7587289799185242
Energy: 1.38027939584614
Energy: 1.75800608528132
Energy: 2.0931396074343875

minimum gb energy = 1.3109590846678518 eV
minimum distance =  2.25596651437786 Angstroms
sigma value = 43


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

Energy: 2.6822114974156612
Energy: 2.030957872446867
Energy: 1.6488901123083324
Energy: 1.6521303957081614
Energy: 1.638062667734498
Energy: 2.084297156811601
Energy: 1.7523251989575503
Energy: 1.3473503463657361
Energy: 1.4023746146645137
Energy: 1.3946980312208324
Energy: 1.3921490288919973
Energy: 1.3481818597826662
Energy: 2.073360490012609
Energy: 1.3501341996674332
Energy: 1.4032839090051048
Energy: 1.397858652014817
Energy: 1.3483603721554245
Energy: 1.6562599877987296
Energy: 2.0389776499766676
Energy: 1.983292361557094
Energy: 1.3626415013539988
Energy: 1.4299285519755767
Energy: 1.650133329949463
Energy: 1.9900310430747559
Energy: 2.1490950335154855
Energy: 1.965423368303951
Energy: 1.97059645985209
Energy: 1.6743193333926099
Energy: 1.9722235956128007
Energy: 1.9668363119293044
Energy: 1.3807444971448333
Energy: 1.2858534312694299
Energy: 2.066352803295596
Energy: 1.9428832378954954
Energy: 1.740254876436921
Energy: 1.3265978100303666
Energy: 1.3405800629163513
Energy: 1.3014081833924154
Energy: 1.3004314173449587
Energy: 1.8034630973522983
Energy: 1.3008434477745996
Energy: 1.3345780725031642
Energy: 1.336901619418436
Energy: 1.3345130216305237
Energy: 1.285177850881005
Energy: 1.5564850622529944
Energy: 1.2854300762223927
Energy: 1.3392007448650176
Energy: 1.3347677633755255
Energy: 1.285354345729477
Energy: 1.7129086097865007
Energy: 2.1102281124910167
Energy: 1.3217077151385896
Energy: 1.3219301039431368
Energy: 1.836530744393789
Energy: 1.9932591877577948
Energy: 2.0722733059793272
Energy: 1.5395647071846386
Energy: 1.9662938038754851
Energy: 2.0053721819275885
Energy: 1.9418744055251633
Energy: 1.9893545280356588
Energy: 1.3872646784818026
Energy: 1.3992409986969088
Energy: 1.3503425820763126
Energy: 1.910889939689758
Energy: 1.7287719542867614
Energy: 1.349916459375699
Energy: 1.400953900131936
Energy: 1.4042900433340484
Energy: 1.3691412015380247
Energy: 2.073954306605673
Energy: 1.976835677049938
Energy: 1.3624475338318756
Energy: 1.3610144106414406
Energy: 1.3793370673030971
Energy: 1.3615168939047535
Energy: 1.346604258131497
Energy: 2.2245447078352396
Energy: 1.3615380304752573
Energy: 1.6780212427258983
Energy: 1.6486971716165195
Energy: 1.6513740970971063
Energy: 1.7299337829659374
Energy: 1.7623531947001954
Energy: 1.6824209999818553
Energy: 1.676458257988362
Energy: 1.695552840285493
Energy: 1.676777837379543
Energy: 1.6812661299501699
Energy: 1.7233282970956223
Energy: 1.7505905133066635
Energy: 1.6635645263872358
Energy: 1.6706236593766042
Energy: 1.6793259103354123
Energy: 1.7042213345243145
Energy: 1.7326138525296644
Energy: 1.686586520688622
Energy: 1.7369282391475251
Energy: 1.6994384841453245
Energy: 1.9770494981504043
Energy: 1.6939880639047267
Energy: 1.7123180674328602
Energy: 1.6975116020635468
Energy: 1.7806662010911845
Energy: 1.76263811558797
Energy: 1.7007565137515244
Energy: 1.713375318506094
Energy: 1.6521753852928152
Energy: 1.6489123030096735
Energy: 2.122730904617585
Energy: 2.6811665573536683
Energy: 2.0313543976879362
Energy: 1.6531806969386353
Energy: 1.3961650145625117
Energy: 1.3895752267966075
Energy: 1.382950090347016
Energy: 1.762678652209616
Energy: 1.3464952427605865
Energy: 1.3944002412772207
Energy: 1.3859698218094032
Energy: 1.368275455099039
Energy: 1.6803281078145769
Energy: 1.7044202476712225
Energy: 1.347450548603465
Energy: 1.3951966844380186
Energy: 1.399077510872037
Energy: 1.3627271797379614
Energy: 1.9951141931866618
Energy: 1.9606130408333848
Energy: 1.6698788123674937
Energy: 1.3781639804205323
Energy: 1.4992127754408755
Energy: 1.9713076720358869
Energy: 1.9640868976138706
Energy: 1.7222731150349222
Energy: 1.9657631079686364
Energy: 2.0641214604162332
Energy: 1.965755698682011
Energy: 1.712609054770846
Energy: 1.2855221431263482
Energy: 1.3261178511216911
Energy: 1.2858203570955804
Energy: 2.0663931767820554
Energy: 1.7772205130262124
Energy: 1.3007347188364897
Energy: 1.3218853148812657
Energy: 1.3432552890155651
Energy: 1.3057978314219072
Energy: 1.3003731543158343
Energy: 1.8421772590143792
Energy: 1.3003679906515206
Energy: 1.3334398654892456
Energy: 1.3375950828822634
Energy: 1.3214931456950172
Energy: 1.6689362104909724
Energy: 2.151105522017169
Energy: 1.7415702859902678
Energy: 1.3186312290722906
Energy: 1.334367759112799
Energy: 1.3183249067055023
Energy: 1.9901028392039866
Energy: 1.9427633871196681
Energy: 2.0127003212378787
Energy: 1.994711790989021
Energy: 1.7095526593666177
Energy: 1.967953983385221
Energy: 2.063141410179555
Energy: 1.3972097199439322
Energy: 1.3622898631118778
Energy: 1.9827217310058147
Energy: 1.9415956701167763
Energy: 1.7031378281995522
Energy: 1.3892896749301782
Energy: 1.4026931483403757
Energy: 1.385360064095758
Energy: 1.35006753003887
Energy: 1.7484880385536414
Energy: 1.346960285389882
Energy: 1.4039950457860713
Energy: 1.3832988683757999
Energy: 1.3612217116385075
Energy: 1.363000818536406
Energy: 2.0245367230788007
Energy: 1.3628499616865162
Energy: 1.3737353781672963
Energy: 1.6612847939950999
Energy: 1.659190440322115
Energy: 2.0965330702557714
Energy: 2.203175684238346
Energy: 1.3611081107465908
Energy: 1.6528853762701707
Energy: 1.6844896489246932
Energy: 1.6764224228325628
Energy: 1.6574880591572456
Energy: 2.0937958510323265
Energy: 1.6564006420130348
Energy: 1.7063997957035895
Energy: 1.4066769025652972
Energy: 1.6701365820583673
Energy: 1.7470726753506762
Energy: 1.723709496651212
Energy: 1.9842495960846362
Energy: 1.6669047196293658
Energy: 1.6981147566111952
Energy: 1.9735010432807296
Energy: 1.703470622069772
Energy: 1.7090705736151655
Energy: 1.7415313419221952
Energy: 1.6933338822768667
Energy: 1.7700290325750614
Energy: 1.6781001724205056
Energy: 1.7131145945124062
Energy: 1.7074044593698605
Energy: 1.7088979458655376
Energy: 1.56910200857998

minimum gb energy = 1.285177850881005 eV
minimum distance =  2.25727392622958 Angstroms
sigma value = 81


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

Energy: 1.2720136312982446
Energy: 1.6908725923516783
Energy: 1.8975620019627324
Energy: 1.6140871210230436
Energy: 1.898755098871688
Energy: 1.2734131890496259
Energy: 1.3395403400464074
Energy: 1.6776315212235116
Energy: 1.679747307458525
Energy: 1.3396496019218433
Energy: 1.669050136076257
Energy: 1.4921222289557103
Energy: 1.544542727902101
Energy: 1.7496438436496626
Energy: 1.33990047077176
Energy: 1.3399939024886194
Energy: 1.3406648042436422
Energy: 1.7490846259747752
Energy: 1.5511235967865387
Energy: 1.5447310793249205
Energy: 1.675634599500934
Energy: 1.6750321486462354
Energy: 1.6125759688114407
Energy: 1.551501435659713
Energy: 1.5504688176950534
Energy: 1.5437300871103807
Energy: 1.612055516769509
Energy: 1.2731919993272656
Energy: 1.6127215195262614
Energy: 1.544521386144224
Energy: 1.6118323545295492
Energy: 1.6777567451080742
Energy: 1.2733505119301018
Energy: 1.274660777382697
Energy: 1.6148657357441842
Energy: 1.6127306852316736
Energy: 1.3404385648764485
Energy: 1.6766975544879963
Energy: 1.7073698178888432
Energy: 1.612538784324077
Energy: 1.6763220651797865
Energy: 1.3395358932973858
Energy: 1.3401918879802037
Energy: 1.3611425193221482
Energy: 1.7473798731034988
Energy: 1.544611078162237
Energy: 1.6124986944939679
Energy: 1.3401809290399955
Energy: 1.6697607148807454
Energy: 1.8975706282386302
Energy: 1.562672692048708
Energy: 1.551124420817166
Energy: 1.498556817253599
Energy: 1.6751089067115918
Energy: 1.2740824054301463
Energy: 1.6126578119772026
Energy: 1.5468469235477273
Energy: 1.5424203680487931
Energy: 1.4856096347852756
Energy: 1.612984500950436

minimum gb energy = 1.2720136312982446 eV
minimum distance =  2.34674001010657 Angstroms
sigma value = 3


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

Energy: 2.5049183076328148
Energy: 2.149739645363363
Energy: 1.7222884636680962
Energy: 1.7210249975231942
Energy: 1.7159118201439942
Energy: 2.1186703335565573
Energy: 1.600817441251142
Energy: 1.5979025585277713
Energy: 1.6179227708730974
Energy: 1.6002421216285985
Energy: 1.6026883568347101
Energy: 1.6896524501451544
Energy: 1.6020289556385747
Energy: 1.4303202520912788
Energy: 1.582794760306001
Energy: 1.5687012831844627
Energy: 1.674127565013308
Energy: 1.664639762667154
Energy: 1.5560852324232872
Energy: 1.5891343115396122
Energy: 1.7309846915961895
Energy: 1.5833321782259362
Energy: 1.4306335064452091
Energy: 1.5793594750947435
Energy: 1.5556356497451178
Energy: 1.5903032918557727
Energy: 1.5635428358741112
Energy: 1.7327847122105846
Energy: 1.591049995161987
Energy: 1.5878397299284455
Energy: 1.7338056833679019
Energy: 1.7212181230050667
Energy: 2.1897583741664324
Energy: 2.2006294480728665
Energy: 1.770998584288751
Energy: 1.7349970013512437
Energy: 1.7854771971887116
Energy: 1.5900754239624033
Energy: 1.9337235338906944
Energy: 1.3618013193472684
Energy: 1.942062428974058
Energy: 1.5672316464851477
Energy: 1.7492664425959485
Energy: 1.6677399516099947
Energy: 1.3057432500071136
Energy: 1.307995844541977
Energy: 1.3149421824984384
Energy: 1.943272930065759
Energy: 1.9974102300762335
Energy: 1.2870723568846691
Energy: 1.3651276166981212
Energy: 1.3637076659150014
Energy: 1.3183196167615021
Energy: 2.1310845771838918
Energy: 2.1012088390462305
Energy: 1.6659641386330586
Energy: 1.3067414940256048
Energy: 1.3501071074402955
Energy: 1.3265673257858188
Energy: 1.6662149837007487
Energy: 2.052169440742012
Energy: 2.1423754555928687
Energy: 1.3202720570617903
Energy: 1.3506199487270363
Energy: 2.142406092147443
Energy: 1.9750091069798636
Energy: 1.3507543039971712
Energy: 1.4231186403166416
Energy: 2.085636013869675
Energy: 2.283807503029427
Energy: 1.9416244703030168
Energy: 1.306410543259755
Energy: 1.3271196450676053
Energy: 1.306062306697202
Energy: 1.3273050643604674
Energy: 2.2779382674689916
Energy: 1.288838170110986
Energy: 1.315277807517868
Energy: 1.3053531438324273
Energy: 1.3053286554832118
Energy: 1.2711147438340897
Energy: 1.9967895926041015
Energy: 1.2986090155231147
Energy: 1.2970976635529254
Energy: 1.2890052652010096
Energy: 1.3169347450606557
Energy: 1.6667452012294879
Energy: 2.074925790257116
Energy: 1.3135631333990594
Energy: 1.3076712961298051
Energy: 1.3520296674539434
Energy: 1.6842425206269103
Energy: 1.9791922816696248
Energy: 2.070344197997804
Energy: 1.9883553552703648
Energy: 1.3064981177647843
Energy: 2.2190901972849577
Energy: 1.9480257328063295
Energy: 1.6478317865544
Energy: 1.733053963221518
Energy: 1.5374542466918508
Energy: 2.0969280876899465
Energy: 2.2181027492250274
Energy: 1.5913169966442298
Energy: 1.6075257750759244
Energy: 1.5554281091637157
Energy: 1.6040592671005622
Energy: 2.0025830389661787
Energy: 1.6165120660988692
Energy: 1.442919877240968
Energy: 1.5771515553344069
Energy: 1.5836580408917846
Energy: 1.5901655297296073
Energy: 1.735416365567558
Energy: 1.5425228772270143
Energy: 1.6617900702888466
Energy: 1.6583609404585065
Energy: 1.59224857616354
Energy: 1.5158263531921579
Energy: 1.5968955137088379
Energy: 1.5411667923043422
Energy: 1.5777310092574257
Energy: 1.4424260274459761
Energy: 1.6164212676993126
Energy: 1.5781463578447992
Energy: 1.5671161352516405
Energy: 1.7214250201323371
Energy: 1.7005392578343843
Energy: 2.183923478794514
Energy: 2.207831414519426
Energy: 1.5488496140573134
Energy: 1.6840574523120053
Energy: 1.9782962663105927
Energy: 1.5564076195086805
Energy: 1.9482887294660973
Energy: 1.7689775505858418
Energy: 1.9491275409271251
Energy: 2.007192699755081
Energy: 1.7797035101798122
Energy: 1.9483724021478843
Energy: 1.306461158007711
Energy: 1.351325538762029
Energy: 1.305362087672544
Energy: 1.8041497346895075
Energy: 2.0250403560112833
Energy: 1.3167609271932512
Energy: 1.3335290047484194
Energy: 1.3307877384156392
Energy: 1.3155693454013113
Energy: 1.7504429023454695
Energy: 2.005346668400777
Energy: 1.308483063702572
Energy: 1.3423163703393908
Energy: 1.3245838939272965
Energy: 1.3425022399744253
Energy: 1.2876448635115154
Energy: 2.146223087778982
Energy: 2.0706107368294213
Energy: 1.2975984067418023
Energy: 1.3513403747574593
Energy: 1.3062707209706963
Energy: 1.973852888436995
Energy: 2.0249126367223567
Energy: 1.7055987700356303
Energy: 2.1434656631831013
Energy: 2.2939096976385134
Energy: 2.0628067437120596
Energy: 2.070545530557445
Energy: 1.3165728563643335
Energy: 1.3055624199780418
Energy: 2.068922700516927
Energy: 2.064536535519164
Energy: 1.3367739806797783
Energy: 1.3158581368962161
Energy: 1.3181895186723736
Energy: 1.3070587305166244
Energy: 1.2991020381146494
Energy: 2.0026187686134245
Energy: 1.283077172496778
Energy: 1.305543146892956
Energy: 1.29503127643853
Energy: 1.3162701946336077
Energy: 1.7499993542501782
Energy: 1.9988898822150638
Energy: 1.3151358126891142
Energy: 1.2903965233592825
Energy: 1.362188875082614
Energy: 1.3057386606421346
Energy: 1.9706267673313427
Energy: 1.9918136668699173
Energy: 1.652551582936204
Energy: 1.3603728785552658
Energy: 1.2826518772134718
Energy: 1.9516592385386247
Energy: 2.081368758856149
Energy: 2.028324010591432
Energy: 1.6036739055718128
Energy: 1.694694306295045

minimum gb energy = 1.2711147438340897 eV
minimum distance =  2.27681776047653 Angstroms
sigma value = 67


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

Energy: 1.906570301036366
Energy: 2.1455284560508283
Energy: 1.6686598610645333
Energy: 1.6737819692802829
Energy: 1.6686456888012213
Energy: 2.228380819141691
Energy: 1.2794587519166398
Energy: 1.585914259720662
Energy: 1.5827908435206002
Energy: 1.5891953422026759
Energy: 1.606304008741029
Energy: 1.5852621222715901
Energy: 1.6754823040445659
Energy: 1.6859108690109743
Energy: 1.5684736545868767
Energy: 1.5475977640644631
Energy: 1.3077845252336189
Energy: 1.728668775046484
Energy: 1.5866659611511276
Energy: 1.5704357071870447
Energy: 1.6864234337551522
Energy: 1.5967275836328139
Energy: 1.3082238747443267
Energy: 1.6250202017400965
Energy: 1.5570996796241003
Energy: 1.6297296359054638
Energy: 1.8749479765296464
Energy: 1.710890108091996
Energy: 1.5852481497903677
Energy: 1.621752106173099
Energy: 1.6728320545502016
Energy: 1.6614364926495917
Energy: 2.0837617221673126
Energy: 2.0569793707477957
Energy: 1.644721923938387
Energy: 1.6651844013024815
Energy: 1.8726369433585863
Energy: 1.6283358130461025
Energy: 1.7437113650691687
Energy: 1.7594817342785254
Energy: 1.9094724739280924
Energy: 1.6218823213747298
Energy: 1.8581073610010228
Energy: 1.5578014680701502
Energy: 1.2555808165334197
Energy: 1.247519796987992
Energy: 1.2562664314045258
Energy: 1.918041808386988
Energy: 1.9459209059019416
Energy: 1.6742401378741718
Energy: 1.2792953689552813
Energy: 1.281313548816813
Energy: 1.2968973749208295
Energy: 2.11099184558569
Energy: 2.049521594614982
Energy: 1.2575255367250413
Energy: 1.30045875885615
Energy: 1.292932913630155
Energy: 1.256238438482503
Energy: 1.6508241756299762
Energy: 2.1334854311748717
Energy: 2.0723843493742216
Energy: 1.2674904251589945
Energy: 1.276649303191263
Energy: 1.6403785775039121
Energy: 2.0965826173742763
Energy: 1.6085973011272134
Energy: 2.0711137153926105
Energy: 1.7399630722017272
Energy: 1.273092238185232
Energy: 2.170177028093577
Energy: 1.6070809496643395
Energy: 1.5627030608033388
Energy: 1.5834543182426295
Energy: 1.7393423443088123
Energy: 1.2728331009364733
Energy: 1.6066776981221655
Energy: 1.5816216808437076
Energy: 1.5614946050580871
Energy: 1.6035332057592482
Energy: 1.6778270006832108
Energy: 1.6193677805821902
Energy: 1.600556380685777
Energy: 1.5867146228050568
Energy: 1.5719158596322884
Energy: 1.3096661107323788
Energy: 1.72505914609279
Energy: 1.626149916261088
Energy: 1.3079596007535614
Energy: 1.6930190251871282
Energy: 1.5882479724363459
Energy: 1.3240487673050223
Energy: 1.6332218653104777
Energy: 1.6165040124909882
Energy: 1.6391519516097302
Energy: 1.698078447874
Energy: 2.1250688796557333
Energy: 1.911742822332353
Energy: 1.6093874077930075
Energy: 1.6600537868453265
Energy: 1.62728255394885
Energy: 2.0863862106505873
Energy: 2.107760351138819
Energy: 1.6618309080815346
Energy: 1.5336151428567515
Energy: 2.04936346111795
Energy: 1.5725865616940309
Energy: 1.7097825268376523
Energy: 1.2538787587696139
Energy: 1.2565014114978894
Energy: 1.917479588488516
Energy: 1.8623082128590007
Energy: 1.639804632798409
Energy: 1.2664259885490023
Energy: 1.31244990085961
Energy: 1.2993013612125848
Energy: 1.9689891404184363
Energy: 2.047304073572222
Energy: 1.25621880533502
Energy: 1.3041616461212093
Energy: 1.2935971119213858
Energy: 1.2560895067133302
Energy: 1.7005553145730685
Energy: 1.9549510406496322
Energy: 1.238731718941719
Energy: 1.2996276300364595
Energy: 1.280134228019401
Energy: 1.2562613837843684
Energy: 1.6228311668220037
Energy: 2.03393214265635
Energy: 1.256485752782154
Energy: 1.3002997628459971
Energy: 2.13948027618422
Energy: 1.6326030562215093
Energy: 1.5832597422086392
Energy: 2.0481618985479457
Energy: 2.1079590510717874
Energy: 1.6271525893947791

minimum gb energy = 1.238731718941719 eV
minimum distance =  2.2713963597897 Angstroms
sigma value = 33


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

Energy: 2.6018306736420618
Energy: 2.055102405414731
Energy: 1.7890079201184195
Energy: 1.8077801647907132
Energy: 1.789729132718664
Energy: 2.2175392896385713
Energy: 1.3851321509797732
Energy: 1.7072238552395695
Energy: 1.788301994105979
Energy: 1.717720225425528
Energy: 1.7936777135476587
Energy: 1.495793543279881
Energy: 1.388685520019145
Energy: 1.450844521196891
Energy: 1.7936743286666768
Energy: 1.562346391130865
Energy: 1.4596027564842666
Energy: 1.4699594326528709
Energy: 1.358793311029786
Energy: 1.378157799837796
Energy: 1.5130802218299
Energy: 1.78480220128874
Energy: 1.4854505125788202
Energy: 1.3750526810755428
Energy: 1.3691456949265648
Energy: 1.3741379760361916
Energy: 1.3847777936214134
Energy: 1.7321119613342226
Energy: 1.3819754739235872
Energy: 1.371829580911687
Energy: 1.417677519283468
Energy: 1.3945673042661002
Energy: 1.4117947356648133
Energy: 2.2784688499661336
Energy: 1.4091383324398756
Energy: 1.412800788876738
Energy: 2.2218078347471604
Energy: 2.063646073384275
Energy: 1.4655554957738433
Energy: 1.6585495510488224
Energy: 1.939670329713229
Energy: 1.53948086271769
Energy: 2.2214771381317022
Energy: 1.4803782968354917
Energy: 1.4162509007934123
Energy: 1.4085638841772006
Energy: 1.4023305544761813
Energy: 1.9058934024442595
Energy: 1.7771106537016723
Energy: 1.3752906291655378
Energy: 1.4046545641396562
Energy: 1.3805723939672716
Energy: 1.4026847324404565
Energy: 1.9191187564623708
Energy: 1.7594614920290188
Energy: 1.4683030286391876
Energy: 1.4370737893614773
Energy: 1.383398208486275
Energy: 1.4653516413769254
Energy: 1.4463876705659184
Energy: 1.7566542831344325
Energy: 1.8098369492944018
Energy: 1.4621801376457728
Energy: 1.4325710020493894
Energy: 1.493388877338719
Energy: 1.7949179923421714
Energy: 1.7682373577535084
Energy: 1.7572955135553114
Energy: 1.8312879536730025
Energy: 1.9098208908844543
Energy: 1.8166921316860125
Energy: 1.7590059934095283
Energy: 1.8664955966873515
Energy: 1.763999646194815
Energy: 2.0242674516426145
Energy: 1.911060523534325
Energy: 1.9799820330528857
Energy: 1.7605665605709508
Energy: 1.957877223829839
Energy: 1.6854793058422497
Energy: 1.208147418168012
Energy: 1.2497741305225853
Energy: 1.1974049250572592
Energy: 1.9790096764684164
Energy: 1.9094189609087133
Energy: 1.2006687745117433
Energy: 1.2346513315684837
Energy: 1.194505293187954
Energy: 1.1971237455489145
Energy: 1.934481100971881
Energy: 2.0026297379520477
Energy: 1.2012120822244505
Energy: 1.1903734648472473
Energy: 1.195951221883919
Energy: 1.2022918507091964
Energy: 2.117487693951488
Energy: 1.752598274438561
Energy: 1.2021174875563376
Energy: 1.2146436562374798
Energy: 1.2027136496057937
Energy: 1.1978191441856172
Energy: 1.9845576257880628
Energy: 2.1062371201546
Energy: 1.789728991212235
Energy: 1.6611800202675795
Energy: 1.2180498377746394
Energy: 2.100114836918124
Energy: 1.8318662513961934
Energy: 1.8085752110458395
Energy: 1.7896289072438898
Energy: 1.8738200764414914
Energy: 2.589950061888077
Energy: 1.771794340045471
Energy: 1.8076542668527922
Energy: 1.7033559192063112
Energy: 1.788990388341801
Energy: 1.8436602027714069
Energy: 1.5724894963441503
Energy: 1.714187007262126
Energy: 1.749010579615437
Energy: 1.5425534821553757
Energy: 1.785756687090022
Energy: 1.4621926717744442
Energy: 1.4163507133050663
Energy: 1.5370031658380852
Energy: 1.7768917489496259
Energy: 1.7874997949798568
Energy: 1.5152261454020612
Energy: 1.3676753597672484
Energy: 1.3612537165530965
Energy: 1.420730466587491
Energy: 1.9189622849650785
Energy: 1.7789184413927532
Energy: 1.3826615578713894
Energy: 1.371942201449626
Energy: 1.3861646113378578
Energy: 1.3834692872471352
Energy: 1.3783185362296475
Energy: 2.2688301503992396
Energy: 1.6813036274328192
Energy: 1.4139658204595198
Energy: 1.4180757561531596
Energy: 1.3919185207009321
Energy: 2.099602469223557
Energy: 1.5867776525331585
Energy: 1.9306653227730954
Energy: 1.375173478620805
Energy: 2.1185033641219375
Energy: 1.9553865323345296
Energy: 1.9478570585242703
Energy: 1.408830081185376
Energy: 1.4108842970823479
Energy: 1.5771497905619447
Energy: 1.9567807445776533
Energy: 1.402577321558959
Energy: 1.394728613409773
Energy: 1.3878874137657657
Energy: 1.4109549741993561
Energy: 1.3755473032351695
Energy: 1.8491270779548326
Energy: 1.3815217774957365
Energy: 1.3986058700723056
Energy: 1.3716436408800872
Energy: 1.4095040948875601
Energy: 1.5022050747952371
Energy: 1.7528486815117834
Energy: 1.5179669421424142
Energy: 1.4326472356327586
Energy: 1.4533346140175405
Energy: 1.4916448515866523
Energy: 1.8065527852994625
Energy: 1.7611573937564908
Energy: 1.808614719803815
Energy: 1.4602477087446395
Energy: 1.9099024263053384
Energy: 1.8705363668245634
Energy: 1.7563976181972951
Energy: 1.7372399904153508
Energy: 1.7563255898953551
Energy: 1.4653572232923269
Energy: 1.9101309251622247
Energy: 1.9987824238933987
Energy: 1.7679703194800414
Energy: 1.8032715186736044
Energy: 2.0317699690668416
Energy: 2.1640537076228727
Energy: 1.2490128818651163
Energy: 1.2356092663003906
Energy: 1.7831087460413233
Energy: 1.9567536939819574
Energy: 1.6662954028877826
Energy: 1.207890653948148
Energy: 1.1950715093139745
Energy: 1.1988942432187315
Energy: 1.2044112050045057
Energy: 1.9109419852649672
Energy: 1.1881589796935634
Energy: 1.2026091815399156
Energy: 1.222720096520292
Energy: 1.2008920570850834
Energy: 2.0795925093527567
Energy: 2.068926766410335
Energy: 1.1955036095994758
Energy: 1.1890431505139902
Energy: 1.1999395321328639
Energy: 1.2081817684765264
Energy: 1.2069666925188827
Energy: 2.093523522375165
Energy: 1.2024935818557785
Energy: 1.2075690295471755
Energy: 1.2201296373316703
Energy: 1.6567939663059212
Energy: 2.1290229717954725
Energy: 2.093013339710621
Energy: 2.1374356800867895
Energy: 1.236395084923729
Energy: 2.219848630930636
Energy: 1.881463620557901
Energy: 1.7556206392074
Energy: 1.8084175846342938
Energy: 1.7777538305989082
Energy: 1.7570699796150655

minimum gb energy = 1.1881589796935634 eV
minimum distance =  2.26558429468715 Angstroms
sigma value = 41


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

Energy: 1.9645425151187559
Energy: 1.3826362504360257
Energy: 1.3848763200394052
Energy: 1.3849772286743933
Energy: 1.3977700951496927
Energy: 2.0704432388384784
Energy: 1.4514167745305362
Energy: 1.0595642579033422
Energy: 1.503928689360322
Energy: 1.4499191169087273
Energy: 1.0594911303576782
Energy: 1.4904674289422923
Energy: 1.4487900694930476
Energy: 1.058748475941582
Energy: 1.0648914202876645
Energy: 0.9798833634551862
Energy: 1.0598973965539238
Energy: 1.4939729521281815
Energy: 1.4802955639232178
Energy: 1.073696192723598
Energy: 1.073056953519161
Energy: 1.4853118056981245
Energy: 1.0771895790750807
Energy: 1.5426975646559575
Energy: 1.3663435659444936
Energy: 1.5102783189523503
Energy: 1.5378717839318807
Energy: 1.4698994546199482
Energy: 1.5094116673910505
Energy: 1.3705720013918448
Energy: 1.384727290631918
Energy: 1.3920190123123848
Energy: 1.3637323210414691
Energy: 1.4746823398723798
Energy: 1.3835264585250624
Energy: 1.3836563084612243
Energy: 1.9031856490119021
Energy: 1.5045963340820292
Energy: 2.045624728003877
Energy: 1.4682473818715334
Energy: 1.5373675836170724
Energy: 1.5369167294535242
Energy: 1.9025026548891364
Energy: 1.0638104416079843
Energy: 1.3526312066784811
Energy: 1.3657666566522202
Energy: 1.4905999663436447
Energy: 2.0328691798922987
Energy: 1.4635993844014812
Energy: 1.4980454681672435
Energy: 1.0609743446990527
Energy: 0.9787097409037926
Energy: 1.0635545043423325
Energy: 1.4989632869983263
Energy: 1.4494386359468503
Energy: 1.0668789852056602
Energy: 1.0635290365599808
Energy: 1.4636018180558006
Energy: 1.0644138844558773
Energy: 1.0562903916313149
Energy: 1.4504409587674088
Energy: 1.537811362562336
Energy: 1.0774628684814513
Energy: 1.4854183302692108
Energy: 1.0789248559460316
Energy: 1.5074349304282884
Energy: 1.3921282594231006
Energy: 1.3692194015957513
Energy: 1.5012516110894145
Energy: 1.5158714150109256
Energy: 1.5089543155525384
Energy: 1.3825556987369592
Energy: 1.3561068917658285
Energy: 1.3686646702083842
Energy: 1.5101542183583812
Energy: 1.4677942800243902
Energy: 1.503343228030382
Energy: 1.3575401106078164
Energy: 1.9681134918180638
Energy: 1.537190125198809
Energy: 1.358172537228587
Energy: 1.3547007203193433
Energy: 1.3557212358270592
Energy: 2.073571454449571

minimum gb energy = 0.9787097409037926 eV
minimum distance =  2.2301766009088 Angstroms
sigma value = 11


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

Energy: 2.25235003273782
Energy: 1.760414576425065
Energy: 1.7406727216941293
Energy: 1.7374202574898883
Energy: 1.7404769929529804
Energy: 2.2231980158753974
Energy: 1.3389798351662472
Energy: 1.6828897990999785
Energy: 1.6578807689423158
Energy: 1.6575490173728755
Energy: 2.0578209772217075
Energy: 1.9632180432714497
Energy: 1.3374146054966327
Energy: 1.3172518903289776
Energy: 1.6215303890433268
Energy: 1.73989824551473
Energy: 1.5937843723594558
Energy: 1.3249418674818114
Energy: 1.2935609265445884
Energy: 1.315027305947713
Energy: 1.56891799207844
Energy: 1.634874681346818
Energy: 1.3148088166465883
Energy: 1.329394317710979
Energy: 1.3353800812616634
Energy: 1.3646958601934744
Energy: 1.5844612877934816
Energy: 1.7202488043530813
Energy: 1.3177165339145953
Energy: 1.3446072393102324
Energy: 1.3297627140687869
Energy: 1.3652821176871568
Energy: 2.0094938521415013
Energy: 1.7202362112906504
Energy: 1.6247463805039815
Energy: 1.3314177127138154
Energy: 1.6848294327269968
Energy: 1.938768769187498
Energy: 1.6584278318978993
Energy: 1.7076636426159757
Energy: 1.7699441363867727
Energy: 1.7504644957759552
Energy: 1.7214652531969026
Energy: 1.966358842337375
Energy: 1.7197325913614914
Energy: 1.7164799393149808
Energy: 1.7637909715665316
Energy: 1.8056471162459629
Energy: 1.4222499030836753
Energy: 1.4353080398886449
Energy: 1.944829878974109
Energy: 1.8305955237253173
Energy: 2.0432850831907725
Energy: 1.3379131292712225
Energy: 1.4719306076717469
Energy: 1.4030902272098578
Energy: 1.5734173839395873
Energy: 1.8299001271527051
Energy: 1.661533993866899
Energy: 1.4283635242345751
Energy: 1.4615909707101846
Energy: 1.5453833101224974
Energy: 1.4615740663175647
Energy: 1.4669017666049222
Energy: 1.6112443142233566
Energy: 1.544291676398201
Energy: 1.4618193666640986
Energy: 1.5667675338966074
Energy: 1.5651586324434867
Energy: 1.4780948860363383
Energy: 1.7006071446235589
Energy: 1.5333972591766005
Energy: 1.473370843370303
Energy: 1.662785955434456
Energy: 1.5631476416780146
Energy: 1.4350764177749635
Energy: 1.5510314487146586
Energy: 1.4855465396840093
Energy: 1.7189529860154829
Energy: 1.450469400186099
Energy: 1.4414963153727771
Energy: 1.4435850307273868
Energy: 1.4471660941035533
Energy: 1.7575212407749556
Energy: 1.688886758035391
Energy: 1.9750065436003033
Energy: 1.8688686342336303
Energy: 1.441040686118373
Energy: 1.4365200142322903
Energy: 1.692332153061858
Energy: 1.771240827587059
Energy: 1.7406775268108368
Energy: 1.8771159820736223
Energy: 2.242863247817717
Energy: 1.8088256390170152
Energy: 1.7530849850775694
Energy: 1.6574989347448523
Energy: 1.7697813013819288
Energy: 2.0008049778171237
Energy: 1.4149596726291185
Energy: 1.6856993348908835
Energy: 1.658573964388388
Energy: 1.7530131757777605
Energy: 2.0615400685846326
Energy: 1.3307044408613784
Energy: 1.3441339124828593
Energy: 1.5803533674524266
Energy: 1.7791933904749118
Energy: 1.7492733372857185
Energy: 1.4915748824107358
Energy: 1.315224559815385
Energy: 1.287074891626295
Energy: 1.3609684814677179
Energy: 1.7047068974913229
Energy: 1.7204045520377043
Energy: 1.3616488350240121
Energy: 1.3649108010275335
Energy: 1.3374671086281515
Energy: 1.3606424028720565
Energy: 1.83545350455503
Energy: 1.8547984879734007
Energy: 1.9953273619103158
Energy: 1.3303354215526366
Energy: 1.342290402545245
Energy: 1.3547327688566886
Energy: 2.004425919797818
Energy: 1.7227226613918722
Energy: 1.6580326473694889
Energy: 1.9455096150220905
Energy: 1.6847116214651923
Energy: 2.0022343797075717
Energy: 1.657267300569745
Energy: 1.7054012833229357
Energy: 1.7634613882464851
Energy: 1.8897092412326217
Energy: 1.6873525721676292
Energy: 1.7629186310003961
Energy: 1.759152643537532
Energy: 1.8297969583319238
Energy: 1.9555170889491151
Energy: 1.573404055924162
Energy: 1.435746703480291
Energy: 2.0485842588875514
Energy: 1.9654320292410803
Energy: 2.1106966807450993
Energy: 1.6611386794430314
Energy: 1.4259955042315373
Energy: 1.4610919461715497
Energy: 1.4412649680220448
Energy: 1.7094194669578613
Energy: 1.4580606165618417
Energy: 1.6104427600314049
Energy: 1.5453972752030936
Energy: 1.463766527703273
Energy: 1.5860524876129907
Energy: 1.587265058189735
Energy: 1.4352926899875413
Energy: 1.7019843246230295
Energy: 1.5414699631002495
Energy: 1.4609197161974297
Energy: 1.6049354681255625
Energy: 1.5499686839654778
Energy: 1.4339139684238946
Energy: 1.5902660661311105
Energy: 1.6553757252257797
Energy: 1.4577753956961002
Energy: 1.7171997094388651
Energy: 1.4885058230175916
Energy: 1.460843476563617
Energy: 1.4422927822939289
Energy: 1.41708728289967
Energy: 1.7165474480754093
Energy: 1.4501537397847102
Energy: 1.4413448100072737
Energy: 1.440556331774468
Energy: 1.8956980439083075
Energy: 1.961582944026345
Energy: 1.5893449201586327
Energy: 1.68265745543539
Energy: 1.5675464120071236
Energy: 2.256694390384447
Energy: 2.081466291657769
Energy: 1.7068868463853426
Energy: 1.7220676252334184
Energy: 1.7168467231957987
Energy: 2.143115881994801

minimum gb energy = 1.287074891626295 eV
minimum distance =  2.28408298421366 Angstroms
sigma value = 57


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

Energy: 2.34917954916684
Energy: 1.7096964808727715
Energy: 1.7069011530439686
Energy: 1.5699398701205638
Energy: 1.7063212237002974
Energy: 2.1779288940891206
Energy: 1.8386548805142673
Energy: 1.6220870065181852
Energy: 1.6577717988844922
Energy: 1.656318104644675
Energy: 1.6594374274617978
Energy: 1.636876344564951
Energy: 1.35321725559807
Energy: 1.5856080647478625
Energy: 1.5627550067123333
Energy: 1.494531221411678
Energy: 1.4988154078985774
Energy: 1.4098569249990456
Energy: 1.414178833107789
Energy: 1.437141176496515
Energy: 1.8184268408333968
Energy: 1.3484197984877917
Energy: 1.6731112601958011
Energy: 1.4003597046226905
Energy: 1.4433736393250443
Energy: 1.5099002357863736
Energy: 1.7225719621016564
Energy: 1.3478448580026334
Energy: 1.6060732230977963
Energy: 1.4958047825431686
Energy: 1.3911052858131268
Energy: 1.5157856711600923
Energy: 1.8876938018918024
Energy: 1.8928220812712337
Energy: 1.5395407118536806
Energy: 1.6483524548132136
Energy: 1.685223327590524
Energy: 1.8300155438004242
Energy: 1.5683348200053173
Energy: 1.5612713699707141
Energy: 1.519346425925986
Energy: 2.0205983087257584
Energy: 1.8015394082809035
Energy: 1.6545531040903545
Energy: 1.6626015148402487
Energy: 1.6197760030747461
Energy: 1.6611295465202014
Energy: 2.016941600336283
Energy: 1.5716827454821538
Energy: 1.635433623885121
Energy: 1.870638160871768
Energy: 1.9733802724694793
Energy: 1.9076632059634284
Energy: 1.3929892773441859
Energy: 1.5992720818801565
Energy: 1.6229519916623456
Energy: 1.871595754888073
Energy: 1.9605700798464876
Energy: 1.5681053038762773
Energy: 1.3866560610397503
Energy: 1.4826981979369553
Energy: 1.500893592722942
Energy: 1.6352789829748178
Energy: 1.4341626198891668
Energy: 1.6662581572872526
Energy: 1.65883269027563
Energy: 1.4494572671086305
Energy: 1.7794879483803403
Energy: 1.4357129593964166
Energy: 1.4081708650153668
Energy: 1.569760950366764
Energy: 1.6590825692844235
Energy: 1.386415538494762
Energy: 1.6726844440403226
Energy: 1.5104224736878857
Energy: 1.411212734604357
Energy: 1.550873250402761
Energy: 1.8097130580052807
Energy: 1.6555647099680275
Energy: 1.5388773152813966
Energy: 1.4955795714515605
Energy: 1.3917322223140973
Energy: 1.5860393964376034
Energy: 1.5693906681832621
Energy: 1.5611445091558895
Energy: 1.75558023620848
Energy: 1.662276116367969
Energy: 1.3913572973612127
Energy: 1.6370207363543938
Energy: 1.7545522094096246
Energy: 1.615442722037463
Energy: 1.688151235112946
Energy: 1.7740695634493098
Energy: 1.896836551276304
Energy: 1.649590818129579
Energy: 1.688305874072723
Energy: 1.5918199554317976
Energy: 1.522613199392931
Energy: 1.6577993152836494
Energy: 1.7266898701637887
Energy: 1.659471860013394
Energy: 1.5576349202366464

minimum gb energy = 1.3478448580026334 eV
minimum distance =  2.27438445508053 Angstroms
sigma value = 9


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

Energy: 2.5560973987805022
Energy: 1.6953847945576836
Energy: 1.722607696293485
Energy: 1.6604376356698576
Energy: 1.6927675325294496
Energy: 1.5630605058391767
Energy: 1.6116227547615085
Energy: 1.720803783835247
Energy: 1.7206884597550702
Energy: 1.6936919728465176
Energy: 1.7208658816926365
Energy: 1.7197080439702446
Energy: 1.5992357420736403
Energy: 1.6305093845518388
Energy: 1.6307459891487606
Energy: 1.678182835603083
Energy: 1.6515385948308388
Energy: 1.6730243193348817
Energy: 1.48157868357916
Energy: 1.5918730546673185
Energy: 1.8073544579682568
Energy: 1.4805757166843214
Energy: 1.7157244828290823
Energy: 1.4916941975568307
Energy: 1.5673229162899593
Energy: 1.6440608049015704
Energy: 1.7601142672862893
Energy: 1.5332765854833998
Energy: 1.645900212046657
Energy: 1.5692230048240527
Energy: 1.595545878171448
Energy: 1.818624052642866
Energy: 1.6228032970777597
Energy: 1.56385509938323
Energy: 1.6047747387461617
Energy: 1.8137504622288199
Energy: 1.7532230949045213
Energy: 1.6497354294844173
Energy: 1.5814953651451702
Energy: 1.5001340534400895
Energy: 1.5824987649182995
Energy: 1.8425946589070628
Energy: 1.588745788818233
Energy: 1.9710016735426215
Energy: 1.6637051600997625
Energy: 1.5064768163334055
Energy: 1.5715207379945098
Energy: 1.648224762100895
Energy: 1.6819660866681327
Energy: 1.6941395329065883
Energy: 1.6270625364983042
Energy: 1.7219407373655573
Energy: 1.6956024725938907
Energy: 1.6946810908351764
Energy: 1.6818738790446917
Energy: 1.8037952767941186
Energy: 1.629617417496736
Energy: 1.8137611095623356
Energy: 1.6297243279634095
Energy: 1.8046358323755018
Energy: 2.043166441711136
Energy: 1.9733416777430195
Energy: 1.687573468440627
Energy: 1.6841193551565379
Energy: 1.6360218443566403
Energy: 1.9530893025837748
Energy: 1.9227991066538757
Energy: 1.6285484137841348
Energy: 1.6748927656039436
Energy: 1.6736113403287856
Energy: 1.6118499072365673
Energy: 1.858375270802962
Energy: 1.5992742101063668
Energy: 1.8503596347736653
Energy: 1.6278391828883463
Energy: 1.665232760975016
Energy: 1.611662236327059
Energy: 1.6772022573626832
Energy: 1.4815009480572723
Energy: 1.5701742262083038
Energy: 1.7159014441286788
Energy: 1.5792945132968377
Energy: 1.6503122811964928
Energy: 1.459256495790673
Energy: 1.5560763715589208
Energy: 1.6057287208369917
Energy: 1.7759252900963092
Energy: 1.4742836065816278
Energy: 1.7650454387738959
Energy: 1.585764403144976
Energy: 1.5750910926957138
Energy: 1.727909169159961
Energy: 1.6090427610182978
Energy: 1.5655507510576758
Energy: 1.6533093988174596
Energy: 1.780486004063603
Energy: 1.5631583286155852
Energy: 1.739047706353909
Energy: 1.584928059210802
Energy: 1.5104553095896487
Energy: 1.581598138400182
Energy: 1.6406697617013823
Energy: 2.079555400387543
Energy: 1.6276883123541765
Energy: 1.5686040629391529
Energy: 1.5127850436625996
Energy: 1.654951097723599
Energy: 2.009343833543855
Energy: 1.6301445311826954
Energy: 1.7314700058192058
Energy: 1.7207316657434273
Energy: 1.679641581486851
Energy: 1.6125737836402767
Energy: 1.6302196531876232
Energy: 1.6819186028931257
Energy: 1.695483182469134
Energy: 1.6938008839387049
Energy: 1.9653232164744703
Energy: 1.6790548840885597
Energy: 1.6952875129455376
Energy: 1.9301292841781617
Energy: 1.7299778654995122
Energy: 1.8222708917652333
Energy: 1.6841492867790357
Energy: 1.6121930154256616
Energy: 1.6477039905066027

minimum gb energy = 1.459256495790673 eV
minimum distance =  2.27912784653127 Angstroms
sigma value = 27


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

Energy: 1.8553211856744554
Energy: 1.7706527584296332
Energy: 1.785464697532214
Energy: 1.6750335693763991
Energy: 1.785807124075213
Energy: 1.7030001649542241
Energy: 1.513622856302583
Energy: 1.7422071316616765
Energy: 1.7991277010988491
Energy: 1.7503223925564295
Energy: 1.8012221278011953
Energy: 1.7250602273198212
Energy: 1.6362043669976998
Energy: 1.693603799983858
Energy: 1.8090132490497732
Energy: 1.8838413242407364
Energy: 1.8840150278478673
Energy: 1.6343521297008925
Energy: 1.5752591033868062
Energy: 1.5981735478684056
Energy: 1.78165108639859
Energy: 1.726439831926434
Energy: 1.8259503872231297
Energy: 1.5870618761049515
Energy: 1.7066678187283502
Energy: 1.713052442133434
Energy: 1.7144211370296336
Energy: 1.5864075092947194
Energy: 1.6885845019789096
Energy: 1.7239900220506654
Energy: 1.6489407129663083
Energy: 1.75728237341402
Energy: 1.5884068275598044
Energy: 1.535945751708546
Energy: 1.6841896791857125
Energy: 1.7549561374782443
Energy: 1.6487575401973547
Energy: 1.7280689457267346
Energy: 1.6431177981033935
Energy: 1.5810127595851817
Energy: 1.7261333301905875
Energy: 1.753956919699781
Energy: 1.5831130552303818
Energy: 1.710455928806754
Energy: 1.7595348645942346
Energy: 1.5924071793266241
Energy: 1.7176675431595758
Energy: 1.590576432367412
Energy: 1.5900186752692718
Energy: 1.6553556082887868
Energy: 1.7116851048088335
Energy: 1.921783769884394
Energy: 1.6564570677739388
Energy: 1.6527684266361848
Energy: 1.4865765381256162
Energy: 1.4309383628312156
Energy: 1.7693143379936425
Energy: 1.795835326906116
Energy: 1.6946374245005813
Energy: 1.4299804502408426
Energy: 1.9213749303698453
Energy: 1.7247908244789958
Energy: 1.7502986280591932
Energy: 1.7553594001333352
Energy: 1.8623407303104742
Energy: 2.060072063477033
Energy: 1.952772465393763
Energy: 1.7373120603792336
Energy: 1.9144113610866038
Energy: 1.811787430561071
Energy: 1.718770968427927
Energy: 1.6218854960442044
Energy: 1.4618411826256916
Energy: 1.4309967513697817
Energy: 1.6303533490435471
Energy: 1.6036302618888356
Energy: 1.6813308861869387
Energy: 1.4340331160087887
Energy: 1.5673240589969395
Energy: 1.573264396090105
Energy: 1.7316933949878097
Energy: 1.658782168232749
Energy: 1.631144645207784
Energy: 1.6549289867147488
Energy: 1.7242511488273211
Energy: 1.7421022450407566
Energy: 1.815895835495515
Energy: 1.5733024896441143
Energy: 1.8081972352342828
Energy: 1.8193735903711394
Energy: 1.711327128136321
Energy: 1.803625717724153
Energy: 1.6450552456296783
Energy: 1.5866546168821734
Energy: 1.7889922038847732
Energy: 1.771003113917248
Energy: 1.4786127273417669
Energy: 1.6386484524057896
Energy: 1.6798862687062588
Energy: 1.6807597066185038
Energy: 1.6657942485679589
Energy: 1.5994576169784567
Energy: 1.6345163568823087
Energy: 1.588509508431804
Energy: 1.7388676501045746
Energy: 1.564767329094775
Energy: 1.6414680335442697
Energy: 1.5897401296363458
Energy: 1.5565168889086205
Energy: 1.6792163329670853
Energy: 1.7774759469353216
Energy: 1.6437217390002952
Energy: 1.7432582059059802
Energy: 1.6062827160980266
Energy: 1.508053739206317
Energy: 1.7348694849127813
Energy: 1.7016584033738769
Energy: 1.6004998073962744
Energy: 1.7187494390444171
Energy: 1.7729635908453392
Energy: 1.562391217002941
Energy: 1.7852822007348046
Energy: 1.6699233397610929
Energy: 1.6134867316621067
Energy: 1.6690558067431058
Energy: 1.818949812644478
Energy: 1.7879021217140403
Energy: 1.7441617633072402
Energy: 1.6383918001680182
Energy: 1.5544193370159571
Energy: 1.73003923573595
Energy: 1.7406349186099745
Energy: 1.7617979603978626
Energy: 1.5747213355243288
Energy: 1.7486950755811534
Energy: 1.9213398082165736
Energy: 1.7525033213482417
Energy: 1.7636682573870432
Energy: 1.7276745210277666
Energy: 1.729039392541026
Energy: 1.826385666140517
Energy: 1.8436589998174462
Energy: 1.723447289361738
Energy: 1.7297810052272737
Energy: 1.7860744305047485
Energy: 1.7762636501802356
Energy: 1.6461887647719315
Energy: 1.651683719184902
Energy: 1.5570322634612799
Energy: 1.799952646776256

minimum gb energy = 1.4299804502408426 eV
minimum distance =  2.22398492952223 Angstroms
sigma value = 19


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

Energy: 1.8051597815303078
Energy: 1.6985032915024147
Energy: 1.6992056273309997
Energy: 1.6984737999813502
Energy: 1.6979531128597982
Energy: 1.9014338606802532
Energy: 1.4097923276708249
Energy: 1.7325856600119156
Energy: 1.7555483021959228
Energy: 1.5083843999687956
Energy: 1.7269691143772594
Energy: 1.7618392089184036
Energy: 1.5077539880690487
Energy: 1.5757347534168127
Energy: 1.753749058091884
Energy: 1.7794447761104708
Energy: 1.8087587423768403
Energy: 1.4241110507305994
Energy: 1.558401036434309
Energy: 1.578061319887857
Energy: 1.7364264090510617
Energy: 1.5093471698523093
Energy: 1.7082593152678283
Energy: 1.5779173779228663
Energy: 1.664190777197877
Energy: 1.6434911171863438
Energy: 1.642969737786157
Energy: 1.4344056154578082
Energy: 1.642229237321701
Energy: 1.6628993453376182
Energy: 1.558426606976371
Energy: 1.6810117285859132
Energy: 1.4250675207638872
Energy: 1.4180713480676554
Energy: 1.6261155985392977
Energy: 1.6797502959523638
Energy: 1.4329586787944433
Energy: 1.585204390382025
Energy: 1.5668655381200345
Energy: 1.6328829479604408
Energy: 1.5669618077135534
Energy: 1.5933031386593395
Energy: 1.4159986484044962
Energy: 1.5628908551083058
Energy: 1.649180948231518
Energy: 1.5341516634364563
Energy: 1.6782776386337654
Energy: 1.4630522460091426
Energy: 1.4241574757641882
Energy: 1.625183134449314
Energy: 1.6633829721840292
Energy: 1.5387628108273828
Energy: 1.6457932912303734
Energy: 1.5747083811497633
Energy: 1.5398768231823368
Energy: 1.7145315224388198
Energy: 1.6765806881078789
Energy: 1.513503533427194
Energy: 1.6662049989304097
Energy: 1.7067940961351828
Energy: 1.538957132720999
Energy: 1.6601273376621597
Energy: 1.6645068600088528
Energy: 1.5019007879181978
Energy: 1.6605494794379123
Energy: 1.8080578588995966
Energy: 1.761249208957596
Energy: 1.8085624065781805
Energy: 1.5763180602108429
Energy: 1.4101214134200537
Energy: 1.8474732449377074
Energy: 1.7409391519363555
Energy: 1.6001904786640468
Energy: 1.7291259685446287
Energy: 1.8146036390692344
Energy: 1.735917466798693
Energy: 1.6772317064782103
Energy: 1.7292986267419093
Energy: 1.662126286187127
Energy: 1.5396948680644271
Energy: 1.7270253360930887
Energy: 1.7367088876576298
Energy: 1.726490853134834
Energy: 1.631707928368224
Energy: 1.5695944339476895
Energy: 1.6705189575998354
Energy: 1.498043209186041
Energy: 1.7254064379902536
Energy: 1.8211255211959987
Energy: 1.8830650808944531
Energy: 1.6654371325582769
Energy: 1.9185850127127049
Energy: 1.5609376643169195
Energy: 1.7186127767170758
Energy: 1.7421523572333137
Energy: 1.7836285395299674
Energy: 1.4096911444098434
Energy: 1.5765517692022948
Energy: 1.7606257563637762
Energy: 1.6079672573756214
Energy: 1.6829306155148651
Energy: 1.5152390103592803
Energy: 1.5646243651258605
Energy: 1.5786193048708916
Energy: 1.716387894429247
Energy: 1.573532578950159
Energy: 1.6659321845966069
Energy: 1.5776425912828183
Energy: 1.4781443709142286
Energy: 1.6603896752102536
Energy: 1.6425456836311652
Energy: 1.395582448565139
Energy: 1.6362461109185067
Energy: 1.660034207388976
Energy: 1.5383131545194375
Energy: 1.6648705802371946
Energy: 1.5753697622807752
Energy: 1.4248223848162394
Energy: 1.6191005659880844
Energy: 1.6489908689770914
Energy: 1.4330732661012784
Energy: 1.5850228243961755
Energy: 1.5960254288001299
Energy: 1.416874051827061
Energy: 1.581938852448675
Energy: 1.4956023398746976
Energy: 1.4164402673665915
Energy: 1.5725179713645103
Energy: 1.621865599019819
Energy: 1.417895594651661
Energy: 1.5596279349310174
Energy: 1.5675597311472795
Energy: 1.4241767479836283
Energy: 1.5975089393423376
Energy: 1.7373597445077367
Energy: 1.4996530304304823
Energy: 1.6438835182803035
Energy: 1.534859356348876
Energy: 1.3946104166932507
Energy: 1.663500938934665
Energy: 1.673591071557125
Energy: 1.538831052101198
Energy: 1.660755506562185
Energy: 1.5032301108539423
Energy: 1.5080784299507517
Energy: 1.8024812347599923
Energy: 1.581269745098559
Energy: 1.5022417368146241
Energy: 1.5777237090114626
Energy: 1.7055160595306695
Energy: 1.5389143130063065
Energy: 1.6935789214880783
Energy: 1.5768331290866568
Energy: 1.497193121496409
Energy: 1.7993459938190548
Energy: 1.80775715473927
Energy: 1.6429114127757845
Energy: 1.4094435343191891
Energy: 1.8961349153888458
Energy: 1.7362056056119166
Energy: 1.7267753415142164
Energy: 1.7400137426836215
Energy: 1.6065235631847985
Energy: 1.6184396052121632
Energy: 1.8377854097311817
Energy: 1.7360656568659554
Energy: 1.7020480320558828
Energy: 1.618102786841603
Energy: 1.6573344391930747
Energy: 1.8290342320837947
Energy: 1.4103216384414063
Energy: 1.632089264701202
Energy: 1.8216236273600523
Energy: 1.75338826505716

minimum gb energy = 1.3946104166932507 eV
minimum distance =  2.25680776044915 Angstroms
sigma value = 101


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

Energy: 1.7750923875779603
Energy: 1.671236349412012
Energy: 1.6748212559846294
Energy: 1.6699814020737453
Energy: 1.6698444362318345
Energy: 1.7838734213777834
Energy: 1.3946764331513348
Energy: 1.5096155716290844
Energy: 1.4797035313412523
Energy: 1.4781996975693086
Energy: 1.4775248659526137
Energy: 1.5464076903408535
Energy: 1.5758546122569945
Energy: 1.626357018709811
Energy: 1.719548155021276
Energy: 1.7612414790487652
Energy: 1.754987960972678
Energy: 1.47646905784891
Energy: 1.5029575675451698
Energy: 1.5649708112960259
Energy: 1.5767685264440756
Energy: 1.4783459858931085
Energy: 1.65037391153837
Energy: 1.5222202587995828
Energy: 1.6452013047434535
Energy: 1.6438950033358781
Energy: 1.6329911946105764
Energy: 1.382583619420361
Energy: 1.621478453973978
Energy: 1.5863183638678167
Energy: 1.5293913482343047
Energy: 1.634182106162711
Energy: 1.4421907363775104
Energy: 1.3892628127844535
Energy: 1.5341926631082698
Energy: 1.465949580143551
Energy: 1.3520411083685844
Energy: 1.5334678390915044
Energy: 1.5528518309223294
Energy: 1.5131600745561329
Energy: 1.5230630901813258
Energy: 1.5291233481910755
Energy: 1.3991896220844615
Energy: 1.5692379801818337
Energy: 1.6231963632378237
Energy: 1.5198598832487493
Energy: 1.6257896593813894
Energy: 1.3524769694556988
Energy: 1.3526672431573439
Energy: 1.5368474654650812
Energy: 1.5393853638896018
Energy: 1.406458125776241
Energy: 1.525394212901446
Energy: 1.5503296142617056
Energy: 1.4520273175351999
Energy: 1.5714316109122346
Energy: 1.4186127295301065
Energy: 1.4264215796978543
Energy: 1.6032759605919056
Energy: 1.4652361974629586
Energy: 1.5043330988338095
Energy: 1.6212071209858439
Energy: 1.5420034842934789
Energy: 1.4747716369921688
Energy: 1.6246840429467266
Energy: 1.6216180725674894
Energy: 1.503409084838932
Energy: 1.673485321584522
Energy: 1.663566515205403
Energy: 1.6520713789781134
Energy: 1.6580282437509486
Energy: 1.494796424535919
Energy: 1.4745423638469228
Energy: 1.6256385043019834
Energy: 1.6908196769971442
Energy: 1.5422441467695809
Energy: 1.6636623029955155
Energy: 1.4749460694053351
Energy: 1.4683324171436678
Energy: 1.78766342125603
Energy: 1.662993140991706
Energy: 1.5416298093646268
Energy: 1.7798202116748347
Energy: 1.6269317370130771
Energy: 1.7237888530991181
Energy: 1.6431733343993618
Energy: 1.679688644827984
Energy: 1.6834831470655232
Energy: 1.680888955416794
Energy: 1.670791723613786
Energy: 1.7242333305607538
Energy: 1.8946235821309685
Energy: 1.5090612353065949
Energy: 1.622993076986333
Energy: 1.5112838372431379
Energy: 1.6416939791815774
Energy: 1.6850138779347938
Energy: 1.3942906346232953
Energy: 1.5448980769424072
Energy: 1.608040929475756
Energy: 1.7591242316909796
Energy: 1.3947161178603915
Energy: 1.6926194103876415
Energy: 1.4776740319728174
Energy: 1.5446922581908655
Energy: 1.7885835572148427
Energy: 1.4774280287589752
Energy: 1.478897930842448
Energy: 1.5447760194725189
Energy: 1.7635374606550476
Energy: 1.55363754483257
Energy: 1.4977676321654492
Energy: 1.6363354979387421
Energy: 1.7384377705515923
Energy: 1.544621018359402
Energy: 1.6709119405707809
Energy: 1.5612907679594905
Energy: 1.51676917924578
Energy: 1.4752792543704736
Energy: 1.5111222493110852
Energy: 1.3685105007788048
Energy: 1.619564644406287
Energy: 1.6256315127675414
Energy: 1.570071828943542
Energy: 1.6265156562260985
Energy: 1.6518282839372422
Energy: 1.3788925207964042
Energy: 1.534989189665333
Energy: 1.669291262272842
Energy: 1.5033706926144503
Energy: 1.647737648351546
Energy: 1.4341424559955247
Energy: 1.4210670057759922
Energy: 1.534034752635615
Energy: 1.5332488759477454
Energy: 1.376428523250088
Energy: 1.5232972414758221
Energy: 1.539378212022484
Energy: 1.5194619503645577
Energy: 1.6348381279749395
Energy: 1.5307231299904671
Energy: 1.355457882404584
Energy: 1.5138418521980526
Energy: 1.5302394136867727
Energy: 1.406241622908721
Energy: 1.5218122431767425
Energy: 1.5473125617579198
Energy: 1.3531373770356903
Energy: 1.5352400226580483
Energy: 1.5862537379901949
Energy: 1.405492041762406
Energy: 1.5599403998228936
Energy: 1.5413136169169757
Energy: 1.3387714765732397
Energy: 1.5682581041171257
Energy: 1.5511978864031903
Energy: 1.432264571035251
Energy: 1.5425476539925007
Energy: 1.6216317714223
Energy: 1.5047064390021798
Energy: 1.6222997205789405
Energy: 1.5079656614317576
Energy: 1.6526422639899851
Energy: 1.62862088999991
Energy: 1.6835355028406456
Energy: 1.5032745301918014
Energy: 1.6572837060817998
Energy: 1.36897178045685
Energy: 1.5413783488206405
Energy: 1.7780929473451663
Energy: 1.5211621559556785
Energy: 1.4753500951351457
Energy: 1.4753878917965373
Energy: 1.6710490410518903
Energy: 1.541394775032358
Energy: 1.776590010019249
Energy: 1.552282811060637
Energy: 1.476123338558458
Energy: 1.8093648379256315
Energy: 1.7784650409426817
Energy: 1.6835741808451907
Energy: 1.6742173098446358
Energy: 1.6743727732930531
Energy: 1.6597031275487013
Energy: 1.4784240536850333
Energy: 1.713144281928743
Energy: 1.6078625332792056
Energy: 1.5969444169474984
Energy: 1.815780150255292
Energy: 1.7241132266139272
Energy: 1.4775846916989361
Energy: 1.592410085545306
Energy: 1.606951580348226
Energy: 1.8162581974374323
Energy: 1.3943641531879303
Energy: 1.6883961033500414
Energy: 1.7532706483231362
Energy: 1.3901786449726299

minimum gb energy = 1.3387714765732397 eV
minimum distance =  2.26856247043749 Angstroms
sigma value = 33


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

Energy: 0.014279750045321282
Energy: 0.07604661632332847
Energy: 0.07695601727473228
Energy: 0.07430080377971558
Energy: 0.07565421128855321
Energy: 0.01505313877542204
Energy: 0.11589902949803121
Energy: 0.11598576524235873
Energy: 0.11601258291934632
Energy: 0.11662194125107107
Energy: 0.11588689287907997
Energy: 0.11591139951318834
Energy: 0.8727895501994346
Energy: 0.07653930830215895
Energy: 0.014909075653362584
Energy: 0.016120012994506834
Energy: 0.07479994488456883
Energy: 0.0745106911805712
Energy: 0.014386471091659385
Energy: 0.11598576524305333
Energy: 0.11601258291869032
Energy: 0.11662194124972047
Energy: 0.11588689287977455
Energy: 0.11591139951384434

minimum gb energy = 0.014279750045321282 eV
minimum distance =  2.47510270412523 Angstroms
sigma value = 1