Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049994595348835
cohesive_energy=3.360264143322612
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.68087555026208e-19, 2.35348532298162e-19, 2.86972265622276e-19, 3.26738289678156e-19, 3.5887154424966e-19, 3.8687919398861397e-19, 4.1120824617590397e-19, 4.3076761852377597e-19, 4.4648176695004795e-19, 4.59767015599176e-19, 4.7150456161986e-19, 4.821029600537699e-19, 4.91687180678358e-19, 5.002796539665e-19, 5.0793805827702e-19, 5.14716867615474e-19, 5.20633705924836e-19, 5.25685368851838e-19, 5.29859038983408e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.3804295722988e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.37112092605526e-19, 5.355083137948919e-19, 5.331547163195459e-19, 5.29905502105794e-19, 5.25509129422098e-19, 5.19589086759468e-19, 5.1162626888848795e-19, 5.0109676404984e-19, 4.87595221555122e-19, 4.70906949735378e-19, 4.507707937992659e-19, 4.26690078990246e-19, 3.9780443645585994e-19, 3.6269593987501796e-19, 3.19203252968454e-19, 2.6457864280885797e-19, 1.96309896434118e-19, 1.127208166497432e-19, 9.67453532144658e-21, -1.2085971373279978e-19, -2.82970028390544e-19, -4.77062512363206e-19, -7.178488321571639e-19, -1.0440888449021459e-18, -1.517592922961238e-18, -2.23654245046596e-18, -3.46292855496126e-18, -5.8276451361472196e-18, -1.1163694415684217e-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: -5.87828410947289e-10 eV

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

Energy: 0.010324813044433383
Energy: 0.01068509968632601
Energy: 0.010758687803524236
Energy: 0.011905943654388419
Energy: 0.2249855194886858
Energy: 0.010763850413166761
Energy: 0.010685099680218343
Energy: 0.0504986092924489
Energy: 0.05045133523662775
Energy: 0.05070813363106131
Energy: 0.050478962024145806
Energy: 0.05057211212247372
Energy: 0.010758687803774095
Energy: 0.05045133523684984
Energy: 0.050790279431817936
Energy: 0.010781718454531826
Energy: 0.05037541943575322
Energy: 0.05097765896883425
Energy: 0.011905943654610516
Energy: 0.05070813363081145
Energy: 0.01078171845500378
Energy: 0.010502783111434006
Energy: 0.0506142643619771
Energy: 0.010709495614667558
Energy: 0.2249855194881861
Energy: 0.050478962024145806
Energy: 0.05037541943528127
Energy: 0.0506142643619771
Energy: 0.050341456195006865
Energy: 0.05058484435491323
Energy: 0.010763850413166761
Energy: 0.05057211212247372
Energy: 0.0509776589683623
Energy: 0.010709495614667558
Energy: 0.05058484435466337
Energy: 0.010817009247667845

minimum gb energy = 0.010324813044433383 eV
minimum distance =  2.85632525436662 Angstroms
sigma value = 1


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

Energy: 0.6633755091204495
Energy: 0.47498307496342407
Energy: 0.4469474351737374
Energy: 0.5073461561395252
Energy: 0.4791327854679
Energy: 0.4482545628347102
Energy: 0.6626524410075223
Energy: 0.4761859778716209
Energy: 0.47645926173630365
Energy: 0.4705550652868795
Energy: 0.49262149532550026
Energy: 0.45739191728054546
Energy: 0.6964038860761331
Energy: 0.45423893067538634
Energy: 0.43901488222686563
Energy: 0.45108900338038643
Energy: 0.47525392939803185
Energy: 0.43909291458948085
Energy: 0.7014851874670067
Energy: 0.43915202185554075
Energy: 0.4294451034036235
Energy: 0.43027909269264136
Energy: 0.4389841529976536
Energy: 0.42953514182313796
Energy: 0.6932617710703917
Energy: 0.4738090059385857
Energy: 0.4736303590811717
Energy: 0.4689708827651369
Energy: 0.4743406886819968
Energy: 0.47374737226609537
Energy: 0.6174890943114444
Energy: 0.4607200635458734
Energy: 0.4587297908755736
Energy: 0.45743819691641696
Energy: 0.4588350306586799
Energy: 0.459443939357828
Energy: 0.616490308880335
Energy: 0.46073163692375707
Energy: 0.46054182701219915
Energy: 0.45719994363964483
Energy: 0.4708565034692164
Energy: 0.45742435383775976
Energy: 0.5831352935892496
Energy: 0.46978954448153115
Energy: 0.4748098568343673
Energy: 0.45776732233573764
Energy: 0.469843824156297
Energy: 0.45730279894577275
Energy: 0.5041045859457285
Energy: 0.45793893557748855
Energy: 0.4587659105509883
Energy: 0.47499979614543947
Energy: 0.457100227075084
Energy: 0.458931802638738
Energy: 0.5004080908456361
Energy: 0.4730159335809945
Energy: 0.4583543323122731
Energy: 0.47479922635911914
Energy: 0.4725360772562281
Energy: 0.4741143378148812
Energy: 0.5442282958349748
Energy: 0.4413171458396925
Energy: 0.4416858474988959
Energy: 0.5292985238735315
Energy: 0.44132737962554924
Energy: 0.4162389467875588
Energy: 0.4937209281530957
Energy: 0.4295565841726506
Energy: 0.43834617049372354
Energy: 0.4927109225929407
Energy: 0.4466811123419503
Energy: 0.4384972139124364
Energy: 0.4918274854130171
Energy: 0.4595540520445495
Energy: 0.4769080294287711
Energy: 0.4918903729987632
Energy: 0.447486401003648
Energy: 0.4767975648909341
Energy: 0.5322554144108036
Energy: 0.42938928543183075
Energy: 0.42947624276239177
Energy: 0.47642667372102865
Energy: 0.43406489789250163
Energy: 0.43902249749674555
Energy: 0.49038905685686635
Energy: 0.48537795267798806
Energy: 0.4475954322276114
Energy: 0.4849087063491991
Energy: 0.46916408571987545
Energy: 0.48204338538227853
Energy: 0.49103836472122664
Energy: 0.42998386205233835
Energy: 0.4304043501442577
Energy: 0.4836332371736967
Energy: 0.4297794502339613
Energy: 0.430518381461026
Energy: 0.5430379949756554
Energy: 0.45697645488129185
Energy: 0.45696063973369105
Energy: 0.45489786114405895
Energy: 0.4568366421728652
Energy: 0.43016146037027897
Energy: 0.5454837276962666
Energy: 0.47390511779849653
Energy: 0.47238213004807134
Energy: 0.4726395615488622
Energy: 0.4735956866068029
Energy: 0.47238100837212155
Energy: 0.5475785084814286
Energy: 0.4736079260017207
Energy: 0.47300832598148795
Energy: 0.47296755273132096
Energy: 0.47305504283701155
Energy: 0.47221951839090087
Energy: 0.6849796593630031
Energy: 0.4748950692644449
Energy: 0.47303572070326755
Energy: 0.4748908919767084
Energy: 0.4732559109627304
Energy: 0.4725254355477222
Energy: 0.6597123057036356
Energy: 0.43206451115724565
Energy: 0.4418125776485452
Energy: 0.4410814603494208
Energy: 0.4314343945293346
Energy: 0.4413319805951755
Energy: 0.6551341841818807
Energy: 0.44914644172288976
Energy: 0.4310079513237784
Energy: 0.4413191832888147
Energy: 0.46236044682995453
Energy: 0.4307585882869669
Energy: 0.6614938489158686
Energy: 0.48263648405220155
Energy: 0.4823993135716378
Energy: 0.4694946477736822
Energy: 0.48252147727169026
Energy: 0.4625951809600125

minimum gb energy = 0.4162389467875588 eV
minimum distance =  2.60515892957286 Angstroms
sigma value = 33


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

Energy: 0.7980069712253597
Energy: 0.46173164348646306
Energy: 0.44997189204096005
Energy: 0.4456377417245854
Energy: 0.43355544125439865
Energy: 0.4596287659294336
Energy: 0.7379736487431953
Energy: 0.45364704799573524
Energy: 0.431534129524403
Energy: 0.45005304095118365
Energy: 0.4751810744808762
Energy: 0.43136020144164366
Energy: 0.6548619203407334
Energy: 0.49153402976148397
Energy: 0.47116300077164175
Energy: 0.4597620678146433
Energy: 0.4782453222358305
Energy: 0.46282462769022675
Energy: 0.653091030735206
Energy: 0.5185640929110487
Energy: 0.5262427389668016
Energy: 0.460259923928006
Energy: 0.5269953672362937
Energy: 0.4599968430166744
Energy: 0.6384715714476622
Energy: 0.548024453844803
Energy: 0.4845577126277948
Energy: 0.4691286618245415
Energy: 0.485857540853293
Energy: 0.5082582874604538
Energy: 0.662707485585963
Energy: 0.5014167961606921
Energy: 0.5002359504330428
Energy: 0.5029847483467619
Energy: 0.499277907005806
Energy: 0.5027168273485155
Energy: 0.6626502583748635
Energy: 0.5047233355549339
Energy: 0.5097059533484328
Energy: 0.5084531523802348
Energy: 0.5079037895062646
Energy: 0.5092673286738891
Energy: 0.6115565593124662
Energy: 0.4976718254590437
Energy: 0.4992371268654576
Energy: 0.54165075712113
Energy: 0.49767540483193085
Energy: 0.49891386953462974
Energy: 0.5514016481634302
Energy: 0.4975732634240781
Energy: 0.5180997954969411
Energy: 0.5324930649047347
Energy: 0.49784438067398773
Energy: 0.5194770130023216
Energy: 0.550449757171626
Energy: 0.531979472830722
Energy: 0.5194263379781203
Energy: 0.5321867677233065
Energy: 0.5310265089861819
Energy: 0.5326452791715048
Energy: 0.57730854126664
Energy: 0.39072623438260273
Energy: 0.3909275841522879
Energy: 0.5375802360345032
Energy: 0.39104861166175303
Energy: 0.3915798121177344
Energy: 0.5327079056313138
Energy: 0.3922401163849631
Energy: 0.48603891064582183
Energy: 0.531783343991489
Energy: 0.3913876857762464
Energy: 0.49097835740421686
Energy: 0.5313897862554543
Energy: 0.5082338683791827
Energy: 0.5082381422830888
Energy: 0.5311248277105715
Energy: 0.5382928031788186
Energy: 0.5309690885989604
Energy: 0.5818619441209337
Energy: 0.45964634673375326
Energy: 0.4597457845703297
Energy: 0.5786767867933399
Energy: 0.46010124141146874
Energy: 0.4822701246202155
Energy: 0.5462465220908276
Energy: 0.4875480487106347
Energy: 0.5057596288248583
Energy: 0.5446753641268545
Energy: 0.5303851123521971
Energy: 0.5475681467303511
Energy: 0.5454223392640644
Energy: 0.5025799490731375
Energy: 0.5006038806450376
Energy: 0.5392006476672667
Energy: 0.49931363227053355
Energy: 0.49910018314628557
Energy: 0.5936698983205968
Energy: 0.43294931659012453
Energy: 0.5139888694394391
Energy: 0.5011860783332368
Energy: 0.5124034523577332
Energy: 0.432997761227691
Energy: 0.5629272328414068
Energy: 0.5275519892637136
Energy: 0.5211668958674416
Energy: 0.4976941888568975
Energy: 0.5211482737158768
Energy: 0.4986773388913201
Energy: 0.5561692054687246
Energy: 0.48328517297619494
Energy: 0.4781373559233226
Energy: 0.49726803888061094
Energy: 0.4822156119960948
Energy: 0.46757525089095486
Energy: 0.6974044018061692
Energy: 0.47394484776183876
Energy: 0.49246194259855247
Energy: 0.5411611539673267
Energy: 0.4930273125439476
Energy: 0.4592240909205098
Energy: 0.7022074959252165
Energy: 0.4332488913195642
Energy: 0.4312260594523484
Energy: 0.4313438815436104
Energy: 0.4896214566502509
Energy: 0.3911022740839028
Energy: 0.7056104345328689
Energy: 0.43193810776449104
Energy: 0.43188991255930836
Energy: 0.4339842867735495
Energy: 0.4939776476626601
Energy: 0.43220816386887106
Energy: 0.595102140271444
Energy: 0.47798668064712085
Energy: 0.49128900779878404
Energy: 0.4638077655130665
Energy: 0.49111792921543396
Energy: 0.471117139215264
Energy: 0.6634583191441868
Energy: 0.5286091431516263
Energy: 0.5455643877207216
Energy: 0.45986630118771055
Energy: 0.5379162506729525
Energy: 0.4777808499623223
Energy: 0.5941451874381007
Energy: 0.48600315211557277
Energy: 0.5455844313018393
Energy: 0.5428720230714601
Energy: 0.5490359208607711
Energy: 0.4754833888401549
Energy: 0.66351138303071
Energy: 0.4985033551488861
Energy: 0.5003339858857359
Energy: 0.5026263459532869
Energy: 0.5411858223979141
Energy: 0.444917200369844
Energy: 0.6628572208136975
Energy: 0.5094181111788221
Energy: 0.5104552569033688
Energy: 0.5088051278323685
Energy: 0.48405492239240744
Energy: 0.5107406572215535
Energy: 0.6145534198603144
Energy: 0.49818588786693496
Energy: 0.4985747189616971
Energy: 0.5287606666522255
Energy: 0.49740239453802454
Energy: 0.5169296808665216
Energy: 0.5499979996221285
Energy: 0.49834023628750096
Energy: 0.49849846369773826
Energy: 0.5326324916068006
Energy: 0.4972909319235693
Energy: 0.5178573488809423
Energy: 0.5511205344992898
Energy: 0.531944728787106
Energy: 0.5182818337033483
Energy: 0.5323509627472233
Energy: 0.5299112277318075
Energy: 0.5311091175439042
Energy: 0.5502706233127534
Energy: 0.3909989017680964
Energy: 0.3910441223422002
Energy: 0.49050186859841166
Energy: 0.3909662324967024
Energy: 0.39095132351907286
Energy: 0.5310202543044851
Energy: 0.3910146694979322
Energy: 0.3909229175618563
Energy: 0.5314054007918408
Energy: 0.39097748826502915
Energy: 0.49069120125970705
Energy: 0.532060044246009
Energy: 0.49193574386696454
Energy: 0.5279067381863054
Energy: 0.5324530786971889
Energy: 0.5355400787060228
Energy: 0.5306104643592098
Energy: 0.5302994784955803
Energy: 0.45950897738345303
Energy: 0.460236724004067
Energy: 0.5305199329803922
Energy: 0.4599762292702505
Energy: 0.47860483085809175
Energy: 0.5468158225088662
Energy: 0.5385244457393367
Energy: 0.5313893871427473
Energy: 0.5469568394434495
Energy: 0.5407190502806418
Energy: 0.5421847152042147
Energy: 0.5445706216384653
Energy: 0.5011258729170701
Energy: 0.49796100525570697
Energy: 0.5413045260830305
Energy: 0.5021907204293662
Energy: 0.49936628123598226
Energy: 0.545198223374221
Energy: 0.5122903512905922
Energy: 0.43298530240768257
Energy: 0.43374268904518215
Energy: 0.432907051995309
Energy: 0.5128685392259932
Energy: 0.5562162342371015
Energy: 0.518720963657614
Energy: 0.5265892563305352
Energy: 0.4974869106355441
Energy: 0.5255663341924866
Energy: 0.5188211561991124
Energy: 0.5618160350055708
Energy: 0.481003595512171
Energy: 0.4669229426527104
Energy: 0.49798586719048793
Energy: 0.4819452329977299
Energy: 0.4984022960510614
Energy: 0.6663834031539818
Energy: 0.4932472803803018
Energy: 0.48207007104643734
Energy: 0.4882712973255854
Energy: 0.49317307366845314
Energy: 0.4795478273905931
Energy: 0.705326809384646
Energy: 0.43162892006996056
Energy: 0.39083377574018535
Energy: 0.39092907875828764
Energy: 0.43167303886273534
Energy: 0.4312337322409271

minimum gb energy = 0.39072623438260273 eV
minimum distance =  2.63012551093817 Angstroms
sigma value = 51


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

Energy: 0.6958026898380225
Energy: 0.5016010397128716
Energy: 0.5022671754821749
Energy: 0.4654914473206146
Energy: 0.4837988527273555
Energy: 0.4257007878668403
Energy: 0.6381887063704458
Energy: 0.45675653373577807
Energy: 0.4566381202547754
Energy: 0.4268267486279981
Energy: 0.48469640434361033
Energy: 0.43418849150490335
Energy: 0.6309138389542525
Energy: 0.456237995257823
Energy: 0.43334813742703643
Energy: 0.42616275427904593
Energy: 0.45608753551818465
Energy: 0.42348709547981056
Energy: 0.6272433325860075
Energy: 0.4240248826761186
Energy: 0.42382608895989216
Energy: 0.4245281411002905
Energy: 0.42398470133898875
Energy: 0.4246200351887136
Energy: 0.690019470428166
Energy: 0.47286855832117025
Energy: 0.47200795216122454
Energy: 0.4536464495329105
Energy: 0.47315830443188706
Energy: 0.47168561086218175
Energy: 0.5338454839804418
Energy: 0.4601559634533954
Energy: 0.4589538778352401
Energy: 0.47239507950452275
Energy: 0.47279322261455153
Energy: 0.4531975735829071
Energy: 0.5338895078451291
Energy: 0.45375028612287666
Energy: 0.45324322552052454
Energy: 0.4725634017769504
Energy: 0.45404353836708666
Energy: 0.4718574343971235
Energy: 0.5436294524263696
Energy: 0.3995508971132866
Energy: 0.39948783392125364
Energy: 0.44620881867468476
Energy: 0.399649784009406
Energy: 0.39943364217977845
Energy: 0.4844442351597856
Energy: 0.3993264484262223
Energy: 0.3991830091568426
Energy: 0.4575063045186898
Energy: 0.3996514855888066
Energy: 0.4239955218870518
Energy: 0.48494737349044764
Energy: 0.4228420937150517
Energy: 0.4412011962876214
Energy: 0.48491846360498214
Energy: 0.4266709610177528
Energy: 0.4568039499240119
Energy: 0.48526255481789926
Energy: 0.4245155689702311
Energy: 0.4243683744013466
Energy: 0.48530619134865316
Energy: 0.4242176992564537
Energy: 0.45432975158014627
Energy: 0.48680038462433795
Energy: 0.4226819183927074
Energy: 0.4335996905747816
Energy: 0.48183515782146885
Energy: 0.42521247402175444
Energy: 0.45419579653882575
Energy: 0.4861410609658291
Energy: 0.42578657422618077
Energy: 0.4261495930180341
Energy: 0.4543959653977993
Energy: 0.4255639084876245
Energy: 0.4438057115504364
Energy: 0.486467307202976
Energy: 0.42580237366930246
Energy: 0.4258527368020607
Energy: 0.4822734459154843
Energy: 0.4258552033232766
Energy: 0.42553011594181517
Energy: 0.5683551587302339
Energy: 0.4279451366294596
Energy: 0.42550618665402523
Energy: 0.44803400467372306
Energy: 0.4446425240615203
Energy: 0.42531107600085155
Energy: 0.5715473129918255
Energy: 0.43588109615662873
Energy: 0.42544696766125356
Energy: 0.4485625223302698
Energy: 0.48227747938336923
Energy: 0.44755810152020575
Energy: 0.6369807494778335
Energy: 0.48287937554163
Energy: 0.45359709723587216
Energy: 0.4257645653631558
Energy: 0.48319232758051683
Energy: 0.43609846799532953
Energy: 0.6835627237839126
Energy: 0.4619104490081204
Energy: 0.4471981895604323
Energy: 0.3986111599051667
Energy: 0.4617137647673618
Energy: 0.44735848598412237

minimum gb energy = 0.3986111599051667 eV
minimum distance =  2.67618699386676 Angstroms
sigma value = 19


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

Energy: 0.5836649286017848
Energy: 0.38439291600063313
Energy: 0.38455556802745994
Energy: 0.3852311381575836
Energy: 0.425422761877182
Energy: 0.3843753934438332
Energy: 0.5797899421856114
Energy: 0.42530093435446664
Energy: 0.42535324499739247
Energy: 0.3738603701518094
Energy: 0.4252632306900708
Energy: 0.40278729206719666
Energy: 0.6115294730664679
Energy: 0.42542590175638684
Energy: 0.42547412182189387
Energy: 0.3742624336555504
Energy: 0.4254772777267021
Energy: 0.4254668494726064
Energy: 0.5000156156687952
Energy: 0.42563768265805346
Energy: 0.4257693251206426
Energy: 0.4144372946917007
Energy: 0.425528260353501
Energy: 0.4027848260428873
Energy: 0.6119326339874955
Energy: 0.41633356016358913
Energy: 0.41614811041386224
Energy: 0.41655250831887736
Energy: 0.41590376776106874
Energy: 0.44020019829685075
Energy: 0.5008624245891893
Energy: 0.41417951619461385
Energy: 0.385956193088868
Energy: 0.4155871902090427
Energy: 0.4139824951150486
Energy: 0.41589188324733845
Energy: 0.5002397377195936
Energy: 0.4161267800331704
Energy: 0.4163229853887889
Energy: 0.41568831326259437
Energy: 0.38623126569493493
Energy: 0.41637699251171484
Energy: 0.4834406958079207
Energy: 0.36035602903913927
Energy: 0.36047451547980414
Energy: 0.4596478477812067
Energy: 0.36060656014653136
Energy: 0.36044554857390815
Energy: 0.4252042032517033
Energy: 0.36029128730814775
Energy: 0.3602960436439919
Energy: 0.4252332611732614
Energy: 0.36037122814236455
Energy: 0.3605323203642924
Energy: 0.42682642313474994
Energy: 0.4036368506991599
Energy: 0.4261802070468115
Energy: 0.42551145229651915
Energy: 0.3741351828913761
Energy: 0.42539236313450435
Energy: 0.4260030811565693
Energy: 0.4143347007872026
Energy: 0.3822010818054192
Energy: 0.42579871083903226
Energy: 0.41431339154859287
Energy: 0.4027158214289485
Energy: 0.4997879858197794
Energy: 0.3862625736323124
Energy: 0.41596281823123193
Energy: 0.416464325794321
Energy: 0.37368454440156135
Energy: 0.40265518273026396
Energy: 0.41406945418009605
Energy: 0.4161546853134532
Energy: 0.3858440677565755
Energy: 0.41572876018603294
Energy: 0.41572219346662354
Energy: 0.38651480730049903
Energy: 0.4999298367288215
Energy: 0.41550064440392886
Energy: 0.4166785107025464
Energy: 0.4159576880575327
Energy: 0.4155604727686341
Energy: 0.41633543908943116
Energy: 0.5798045654717602
Energy: 0.4026825094173824
Energy: 0.4025600421437972
Energy: 0.36049792194894115
Energy: 0.4025146338546908
Energy: 0.3603916359514254
Energy: 0.5806112811051884
Energy: 0.40275629685174935
Energy: 0.3606183375842039
Energy: 0.3605681571704867
Energy: 0.4252776375537034
Energy: 0.36046798946776404
Energy: 0.612419060043007
Energy: 0.4252735727460417
Energy: 0.4254503235403652
Energy: 0.37327817505680777
Energy: 0.4270435780857838
Energy: 0.402851402505647
Energy: 0.49967892563221206
Energy: 0.42555887448291363
Energy: 0.42556437123639335
Energy: 0.41447676497942515
Energy: 0.4256058861224597
Energy: 0.4255220878836223
Energy: 0.49904034504733163
Energy: 0.425545957202825
Energy: 0.4255088910396076
Energy: 0.41424141212739457
Energy: 0.4255275271859473
Energy: 0.42537192436733573
Energy: 0.4997368623573594
Energy: 0.41418123515981764
Energy: 0.4164603442291988
Energy: 0.4162924217349208
Energy: 0.4139947657960085
Energy: 0.41562354704529847
Energy: 0.500539078391533
Energy: 0.3862807398072881
Energy: 0.416555412733256
Energy: 0.4156830633295541
Energy: 0.41606812091625806
Energy: 0.41643561901907444
Energy: 0.4995035632438934
Energy: 0.40275382640138196
Energy: 0.4163976295976093
Energy: 0.41572770984888446
Energy: 0.3737039364323659
Energy: 0.41612134668807094
Energy: 0.41720173190167614
Energy: 0.36056222096903745
Energy: 0.36048954218071044
Energy: 0.4171508264112119
Energy: 0.3604611610818362
Energy: 0.38431583546521797
Energy: 0.425287270027967
Energy: 0.3736175825249313
Energy: 0.40259916847889293
Energy: 0.4252622500882941
Energy: 0.3607063202198858
Energy: 0.42560673855213005
Energy: 0.42547547370304023
Energy: 0.37417026578411533
Energy: 0.42546198235037064
Energy: 0.425403823600865
Energy: 0.37420892724406624
Energy: 0.42545710043330426
Energy: 0.4849553341675188
Energy: 0.4145720196410683
Energy: 0.41510148335426367
Energy: 0.48408895580711414
Energy: 0.4143818551252835
Energy: 0.4026182472416667
Energy: 0.499495690015055
Energy: 0.416737632970304
Energy: 0.41593064882637276
Energy: 0.4161730485410769
Energy: 0.41593257433647496
Energy: 0.4401278947754982
Energy: 0.4141315520174271
Energy: 0.41759387943597875
Energy: 0.4160032496460602
Energy: 0.414000125158684
Energy: 0.41609729164458514
Energy: 0.41600632049570146
Energy: 0.4998343970783881
Energy: 0.41673942582020085
Energy: 0.41639384849047906
Energy: 0.38646940707871236
Energy: 0.4159279037480564
Energy: 0.4160483147011047
Energy: 0.5796353469125013
Energy: 0.40249137769602905
Energy: 0.3605147635206354
Energy: 0.36046383349311006
Energy: 0.4024845983329964
Energy: 0.3604060608187238

minimum gb energy = 0.36029128730814775 eV
minimum distance =  2.72205995124198 Angstroms
sigma value = 27


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

Energy: 0.5013841540856936
Energy: 0.5023021348381794
Energy: 0.5036737323638375
Energy: 0.35533811113545577
Energy: 0.42529782186939485
Energy: 0.5832830012814479
Energy: 0.7414369875218617
Energy: 0.4255205555848709
Energy: 0.4255235119154955
Energy: 0.3883692705645881
Energy: 0.4253118380429957
Energy: 0.4257412007196545
Energy: 0.6320389903111809
Energy: 0.42720532562761754
Energy: 0.42664310793270194
Energy: 0.3875196401922962
Energy: 0.4281126533598142
Energy: 0.42563933029947637
Energy: 0.581565430006786
Energy: 0.40078715770060475
Energy: 0.40082315065949864
Energy: 0.3869323042148119
Energy: 0.4006385543874713
Energy: 0.4008815655428338
Energy: 0.49798867410338926
Energy: 0.34205720571481296
Energy: 0.3882270438480126
Energy: 0.401447293233216
Energy: 0.34202106808717997
Energy: 0.40142722748496373
Energy: 0.4253481100169003
Energy: 0.3423024072733822
Energy: 0.3423914484432016
Energy: 0.42536899060659167
Energy: 0.34250626849637245
Energy: 0.34198522668441994
Energy: 0.42786288144122375
Energy: 0.3903336063732039
Energy: 0.40084175061683336
Energy: 0.42704837361865544
Energy: 0.38807175909124214
Energy: 0.42524427222299965
Energy: 0.4256381037854996
Energy: 0.3999451832379577
Energy: 0.4003605600361293
Energy: 0.4255776618200029
Energy: 0.4003208277865314
Energy: 0.4002621705826204
Energy: 0.4508506522038514
Energy: 0.40013954905307497
Energy: 0.4163994743525277
Energy: 0.4254207307736804
Energy: 0.3885866937750408
Energy: 0.4257120038554191
Energy: 0.39979331401298723
Energy: 0.36131988046578034
Energy: 0.359978529594307
Energy: 0.39036133472284235
Energy: 0.3625943139387362
Energy: 0.36012440551744274
Energy: 0.45026575932556795
Energy: 0.38999932235381957
Energy: 0.38994506077978786
Energy: 0.3899043184195754
Energy: 0.4372845050911849
Energy: 0.3612150220764378
Energy: 0.7414369875126483
Energy: 0.3893942757981551
Energy: 0.3895606997186185
Energy: 0.388584389391976
Energy: 0.3895835597819235
Energy: 0.41873021510371605

minimum gb energy = 0.34198522668441994 eV
minimum distance =  2.67986819595639 Angstroms
sigma value = 9


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

Energy: 0.8681698892657692
Energy: 0.44632465430968304
Energy: 0.4511031852269873
Energy: 0.45130901233858084
Energy: 0.3664662130909382
Energy: 0.4513907532765558
Energy: 0.3531210340739226
Energy: 0.3677194928922171
Energy: 0.3674733585842332
Energy: 0.36989445104401814
Energy: 0.3676410126171141
Energy: 0.3495995078128749
Energy: 0.5033015931748125
Energy: 0.3676928449131268
Energy: 0.3680616083331334
Energy: 0.37999405302175665
Energy: 0.3682476997651639
Energy: 0.3506070891389614
Energy: 0.5030252710057489
Energy: 0.3496106312837099
Energy: 0.36442532794161836
Energy: 0.36904628378041676
Energy: 0.3572314849072262
Energy: 0.35384169686068967
Energy: 0.559779141449029
Energy: 0.3904469039888742
Energy: 0.368805247625907
Energy: 0.3771203327587608
Energy: 0.3930729367615043
Energy: 0.38749274809888395
Energy: 0.37700998613599546
Energy: 0.3387961442102704
Energy: 0.3754524333639167
Energy: 0.3772946687040646
Energy: 0.3566853778198087
Energy: 0.37465541434242056
Energy: 0.3777713791744414
Energy: 0.36537088052112787
Energy: 0.37734243732609035
Energy: 0.378352720893347
Energy: 0.3678397431169965
Energy: 0.3771457994156988
Energy: 0.37753287134972546
Energy: 0.3686549520714665
Energy: 0.389206980138093
Energy: 0.3775419393642296
Energy: 0.3680570267041028
Energy: 0.3767121115327225
Energy: 0.5724706161448951
Energy: 0.37626906714580055
Energy: 0.3693516167316999
Energy: 0.38550704046884965
Energy: 0.3843195671849879
Energy: 0.352074077074441
Energy: 0.5879773464815985
Energy: 0.37610677859809183
Energy: 0.3902927944619964
Energy: 0.35642670044314695
Energy: 0.38458894938028415
Energy: 0.389311945041131
Energy: 0.5848199769746795
Energy: 0.37740542662963694
Energy: 0.3774085439117203
Energy: 0.3737002382633028
Energy: 0.37742042120685326
Energy: 0.37728287053575105
Energy: 0.5804978109367535
Energy: 0.3774539837670888
Energy: 0.37734575200839154
Energy: 0.386814945595359
Energy: 0.3776688681705517
Energy: 0.3771966472052817
Energy: 0.5017071488198028
Energy: 0.3772499492456103
Energy: 0.44371514857396244
Energy: 0.4212913204404568
Energy: 0.3773431999216452
Energy: 0.4429823433174584
Energy: 0.5761607977399759
Energy: 0.37731334001979583
Energy: 0.37738430172787685
Energy: 0.37726331412842556
Energy: 0.37727024756786914
Energy: 0.38938927546785174
Energy: 0.36754077264855756
Energy: 0.3776382402038826
Energy: 0.3771330946852224
Energy: 0.3675647423310254
Energy: 0.3797838545587552
Energy: 0.38395239006615756
Energy: 0.3682222735528797
Energy: 0.34979821518230847
Energy: 0.36333431107029424
Energy: 0.3690036792326278
Energy: 0.37767513389025004
Energy: 0.3497418810908095
Energy: 0.367414009636393
Energy: 0.3711432335573599
Energy: 0.3898227261829404
Energy: 0.3673285571361903
Energy: 0.38383216942687076
Energy: 0.3675195817099535
Energy: 0.38435218630056706
Energy: 0.3529171317778083
Energy: 0.38808668300222887
Energy: 0.36706574453260044
Energy: 0.37784563098403523
Energy: 0.3776323326984484
Energy: 0.3841042218759675
Energy: 0.3710911226623206
Energy: 0.332794971190917
Energy: 0.3693246894934258
Energy: 0.3513211473705178
Energy: 0.35167292678155415
Energy: 0.3846856010029685
Energy: 0.36867001627322116
Energy: 0.33444108530555955
Energy: 0.36825913689975553
Energy: 0.3681926849074294
Energy: 0.33101672047686903
Energy: 0.3836303600482814
Energy: 0.36909906299487627
Energy: 0.35164673776117394
Energy: 0.37756237535970155
Energy: 0.36865696720996216
Energy: 0.35155734109759296
Energy: 0.5822002003460703
Energy: 0.3669900522067023
Energy: 0.3773045572644313
Energy: 0.3889591067829485
Energy: 0.36706153096356364
Energy: 0.37519366143291927
Energy: 0.6097576691140955
Energy: 0.3676020005773267
Energy: 0.3674854085716827
Energy: 0.3924602094802546
Energy: 0.36763597960775224
Energy: 0.3800893708457979
Energy: 0.5029689515108406
Energy: 0.3678345146733268
Energy: 0.36776144148374446
Energy: 0.3817003101645663
Energy: 0.3687719775539165
Energy: 0.3676363230954006
Energy: 0.5218314832674784
Energy: 0.3501960110436398
Energy: 0.37458761387110906
Energy: 0.37345851239620176
Energy: 0.36724678091094226
Energy: 0.3745057334890486
Energy: 0.38351639534406334
Energy: 0.3769703229153414
Energy: 0.365202216111779
Energy: 0.375910963772672
Energy: 0.3775493616380202
Energy: 0.4051139440667632
Energy: 0.44425159430179484
Energy: 0.40806116629832634
Energy: 0.4388881544085015
Energy: 0.44420143000783496
Energy: 0.4285793117175994
Energy: 0.37473577553912235
Energy: 0.3774877298186142
Energy: 0.3652591221172687
Energy: 0.3774700992207546
Energy: 0.3774963605218052
Energy: 0.3859242136408911
Energy: 0.3774202324084183
Energy: 0.3775626373072985
Energy: 0.37007795622862977
Energy: 0.3902115895239412
Energy: 0.37753851027883817
Energy: 0.3843148056283868
Energy: 0.3773763281314351
Energy: 0.5583215274338963
Energy: 0.36837808968860836
Energy: 0.3519230984108935
Energy: 0.39703478947555987
Energy: 0.3682757148661724
Energy: 0.38988221888711266
Energy: 0.5854313630457922
Energy: 0.38526636968034156
Energy: 0.4117205938524468
Energy: 0.37450675319405785
Energy: 0.38496606175537473
Energy: 0.4063476413535445
Energy: 0.5892850649454099
Energy: 0.3783065552596105
Energy: 0.37794632352230034
Energy: 0.3560162655469702
Energy: 0.37802973608911855
Energy: 0.38935701398913086
Energy: 0.4782393935702428
Energy: 0.3773852859195693
Energy: 0.3773903230063088
Energy: 0.38539902108897606
Energy: 0.3784474450282112
Energy: 0.3771995534440939
Energy: 0.5878556209000048
Energy: 0.37723923590800307
Energy: 0.3772856566180061
Energy: 0.3764222947146319
Energy: 0.3772102865075497
Energy: 0.3772547173675413
Energy: 0.5872416539306557
Energy: 0.3773734289580202
Energy: 0.4051419122040322
Energy: 0.38303295400025517
Energy: 0.3774628971237386
Energy: 0.36605374252379036
Energy: 0.3882260608918561
Energy: 0.37754366726176086
Energy: 0.33213193855113177
Energy: 0.36872985373584666
Energy: 0.379096343165943
Energy: 0.3569722178310717
Energy: 0.3680560314533868
Energy: 0.35136387339064806
Energy: 0.3575903122257796
Energy: 0.3686827374397032
Energy: 0.3778811938284203
Energy: 0.3496141167826998
Energy: 0.3676048641811198
Energy: 0.36991572591425415
Energy: 0.3508861929894281
Energy: 0.3675425251094326
Energy: 0.36952453831288035
Energy: 0.36734764484027205
Energy: 0.36717753729925956
Energy: 0.4052383398176412
Energy: 0.4426247991225313
Energy: 0.3673822609573061
Energy: 0.4219533172807345
Energy: 0.38344922097146833
Energy: 0.3832251269048126
Energy: 0.36996835839892345
Energy: 0.36970831279833616
Energy: 0.36770987578364034
Energy: 0.36918502157635336
Energy: 0.36730787628766626
Energy: 0.384239526993317
Energy: 0.33378730858048056
Energy: 0.337015837557651
Energy: 0.36805154744560903
Energy: 0.3683343303585701
Energy: 0.35146613123084736
Energy: 0.38346404460364736
Energy: 0.3690605450001801
Energy: 0.36982875452819197
Energy: 0.34932351837193537
Energy: 0.36846274608559243
Energy: 0.3499977009445318
Energy: 0.6084115418983554
Energy: 0.36753730608779295
Energy: 0.36706134623344583
Energy: 0.3917310345751964
Energy: 0.3674090214608583
Energy: 0.3914548987648012

minimum gb energy = 0.33101672047686903 eV
minimum distance =  2.63905755347967 Angstroms
sigma value = 57


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

Energy: 0.1641379995191727
Energy: 0.17425190996503184
Energy: 0.17001208507825663
Energy: 0.16565971836622045
Energy: 0.5187582699734947
Energy: 0.16449491475184477
Energy: 0.16519919202909117
Energy: 0.1715557101322261
Energy: 0.17055945457297642
Energy: 0.18635734903853454
Energy: 0.18618796548155406
Energy: 0.1705001840667359
Energy: 0.20937059584299886
Energy: 0.18490827752104255
Energy: 0.18531237059241545
Energy: 0.18734439155352325
Energy: 0.18466720155520397
Energy: 0.18961371279512765
Energy: 0.20938361240489334
Energy: 0.18516495522496373
Energy: 0.18544215754441004
Energy: 0.18561701436744524
Energy: 0.18712960866954106
Energy: 0.18981270047768514
Energy: 0.20955417919801947
Energy: 0.16498495352638043
Energy: 0.18080753880448105
Energy: 0.18748633504135842
Energy: 0.16479666783425553
Energy: 0.17083488683180903
Energy: 0.18472173470070405
Energy: 0.16474255781420663
Energy: 0.16508345438947053
Energy: 0.18653709652203615
Energy: 0.1644540700344254
Energy: 0.17892213502018955
Energy: 0.18437640930351756
Energy: 0.17082014874079873
Energy: 0.17050606108805136
Energy: 0.18535210528183177
Energy: 0.17274496409203813
Energy: 0.18030518828156422
Energy: 0.18466760995935866
Energy: 0.18560106801325155
Energy: 0.1853911324821246
Energy: 0.1845834360853487
Energy: 0.18608496468392674
Energy: 0.1859392945436461
Energy: 0.2094610124673499
Energy: 0.18636391926867338
Energy: 0.1894565294916576
Energy: 0.18508418433098278
Energy: 0.18744283008933876
Energy: 0.1902276542199682
Energy: 0.1644199690188636
Energy: 0.18669037229869015
Energy: 0.1798024135852983
Energy: 0.16440271724055475
Energy: 0.1873159266622236
Energy: 0.17907098407928831
Energy: 0.16429205677497324
Energy: 0.1711876152006348
Energy: 0.17086451945011746
Energy: 0.16443583028499953
Energy: 0.17254447484487317
Energy: 0.17999843615740946
Energy: 0.21151306562226885
Energy: 0.18528234069373492
Energy: 0.17053662012029686
Energy: 0.18795027028924988
Energy: 0.18797511855343327
Energy: 0.17116157881656646
Energy: 0.2094081945711787
Energy: 0.20958288831806962
Energy: 0.20896260909948208
Energy: 0.18887368670263335
Energy: 0.20933971980089439
Energy: 0.2089309314975447
Energy: 0.21002937546230369
Energy: 0.18523646322896906
Energy: 0.1895178587809868
Energy: 0.18764036929342767
Energy: 0.18761066078691338
Energy: 0.17078204715116727
Energy: 0.16982036070153542
Energy: 0.16449813146861528
Energy: 0.164563090203018
Energy: 0.16986548937010512
Energy: 0.1673058542574597
Energy: 0.16553596838171966
Energy: 0.18701107898997352
Energy: 0.17118283426951345
Energy: 0.1802232849631858
Energy: 0.1862783485349687
Energy: 0.16474975273229095
Energy: 0.17062816540217773
Energy: 0.18457693614248397
Energy: 0.19039110152742028
Energy: 0.1902445944097839
Energy: 0.18465337202763837
Energy: 0.18793761727848637
Energy: 0.18966607455965853
Energy: 0.2092589255578115
Energy: 0.20848357800990258
Energy: 0.18531215221684674
Energy: 0.20965944784024385
Energy: 0.18569863384122864
Energy: 0.1859636779674233
Energy: 0.1643999928335331
Energy: 0.17051202599969856
Energy: 0.17042352887018036
Energy: 0.16446288895620456
Energy: 0.17311680539521856
Energy: 0.189631477214253

minimum gb energy = 0.1641379995191727 eV
minimum distance =  2.73016717455127 Angstroms
sigma value = 11


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

Energy: 0.5709852038151084
Energy: 0.3848024446054259
Energy: 0.3590986301825789
Energy: 0.40538244491880526
Energy: 0.3362331321906987
Energy: 0.35914173844409325
Energy: 0.519330994066203
Energy: 0.34936127400326195
Energy: 0.33953786914594725
Energy: 0.34428123864894683
Energy: 0.33380770635164236
Energy: 0.33438918262573947
Energy: 0.33482894373254823
Energy: 0.3321225501043883
Energy: 0.3324419903886768
Energy: 0.33581883684377517
Energy: 0.3308434858096404
Energy: 0.33754540303517533
Energy: 0.33504760550890655
Energy: 0.333728401214794
Energy: 0.33820610654390587
Energy: 0.3357992432381794
Energy: 0.33920920877594485
Energy: 0.3362102983297957
Energy: 0.33285470547735113
Energy: 0.34088995272198136
Energy: 0.3278603969361213
Energy: 0.34710014829020847
Energy: 0.37082512543321505
Energy: 0.35113317231426006
Energy: 0.43324647690295426
Energy: 0.3459499305516042
Energy: 0.33024185455355515
Energy: 0.3468067646063792
Energy: 0.35333299176064936
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Energy: 0.42974610888836023
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Energy: 0.3262409230268328
Energy: 0.33969608563409
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Energy: 0.3253692561030384
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Energy: 0.35774458650502977
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Energy: 0.36050200117151665
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Energy: 0.34159994651286546
Energy: 0.38159740748102267
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Energy: 0.5021740147992485
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Energy: 0.3518277092643131
Energy: 0.38821044203161387
Energy: 0.43564458599393163
Energy: 0.31790537962723847
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Energy: 0.3415174056738593
Energy: 0.34409391971516823
Energy: 0.37290353490335526
Energy: 0.3409800947331098
Energy: 0.34494110244778037
Energy: 0.5279388735589745
Energy: 0.346860020498856
Energy: 0.34770036968005497
Energy: 0.3472918115646125
Energy: 0.35258856164025304
Energy: 0.3339903327558792
Energy: 0.4280461095757317
Energy: 0.48204767502336726
Energy: 0.33958298551946414
Energy: 0.3336640518876435
Energy: 0.399045683851223
Energy: 0.3328640218315612
Energy: 0.5321092866185101
Energy: 0.34202192490104333
Energy: 0.3466610754359936
Energy: 0.3410856983347252
Energy: 0.3658752566669225
Energy: 0.3406638408306783
Energy: 0.3426049051093572
Energy: 0.44200876668567673
Energy: 0.3416149227461769
Energy: 0.3324564649432573
Energy: 0.31993402812867705
Energy: 0.44680042786439733
Energy: 0.34511596591081506
Energy: 0.34495019752008094
Energy: 0.34229197717844534
Energy: 0.3442307705127612
Energy: 0.35514798668606384
Energy: 0.3318813473840917
Energy: 0.34547166866432
Energy: 0.3342401120090973
Energy: 0.33375784540142606
Energy: 0.34649817539079153
Energy: 0.334768135159254
Energy: 0.3324845831510687
Energy: 0.3403235074270048
Energy: 0.3366274689668823
Energy: 0.3352479980971325
Energy: 0.33934047745719376
Energy: 0.33638812410445734
Energy: 0.33622792509129473
Energy: 0.5542411843095679
Energy: 0.3426576011545711
Energy: 0.33333915686438703
Energy: 0.3809096121619455
Energy: 0.346594234790885
Energy: 0.31501587819457655

minimum gb energy = 0.31039494827021846 eV
minimum distance =  2.69293279595843 Angstroms
sigma value = 41


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

Energy: 0.714954829618229
Energy: 0.4316654911084549
Energy: 0.43169761784636046
Energy: 0.49034981331807376
Energy: 0.37388470350709585
Energy: 0.4905668569696921
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Energy: 0.37271678433094924
Energy: 0.3444003683283407
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Energy: 0.5020671097387079
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Energy: 0.3679205601971916
Energy: 0.36648695196406256
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Energy: 0.3831335227182154
Energy: 0.369186816176585
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Energy: 0.38097029783622316
Energy: 0.3703148599541059
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Energy: 0.4347899180739714
Energy: 0.4745717962786259
Energy: 0.3762302652500981
Energy: 0.4432184480414099
Energy: 0.5018248556069084
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Energy: 0.35820850779109786
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Energy: 0.3577230038873806
Energy: 0.3569934367178114
Energy: 0.41894541291738396
Energy: 0.41348688100899894
Energy: 0.42406695642864245
Energy: 0.3444666805532808
Energy: 0.41445441172942826
Energy: 0.33544934528167036
Energy: 0.5077214141932624
Energy: 0.37027954740055735
Energy: 0.35865496647508904
Energy: 0.3740493825201901
Energy: 0.3721412315935171
Energy: 0.3599999364518872
Energy: 0.5070462138188608
Energy: 0.3662432197324581
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Energy: 0.37021648667941515
Energy: 0.37383325919683813
Energy: 0.3703798307947502
Energy: 0.5070266000751099
Energy: 0.364655197258161
Energy: 0.38123023954961954
Energy: 0.3689887533744627
Energy: 0.37067240476925767
Energy: 0.3848507736327658
Energy: 0.6182449963507402
Energy: 0.34332646398343325
Energy: 0.36996142238738267
Energy: 0.3718517301329992
Energy: 0.3422900351760687
Energy: 0.3708228933777367
Energy: 0.38231917036392377
Energy: 0.34384267954889
Energy: 0.34361195619604445
Energy: 0.37982164513394584
Energy: 0.37168819828617716
Energy: 0.34335816552484794
Energy: 0.3808737998037259
Energy: 0.36375509491112007
Energy: 0.3706447693074765
Energy: 0.3804987177858914
Energy: 0.37217985067942805
Energy: 0.37007669173943347
Energy: 0.3771488103361752
Energy: 0.3748025817214898
Energy: 0.36109237729378424
Energy: 0.37381388327517434
Energy: 0.3621200661643165
Energy: 0.363662376165746
Energy: 0.49302125315606127
Energy: 0.366576966181477
Energy: 0.3561027988930117
Energy: 0.37806525793464846
Energy: 0.37176197636798153
Energy: 0.3623775097819902
Energy: 0.6162589117551309
Energy: 0.3665918203826098
Energy: 0.34617702570865017
Energy: 0.33311704673863063
Energy: 0.36499554282574415
Energy: 0.37749302755833253

minimum gb energy = 0.3325416469540235 eV
minimum distance =  2.63262416697992 Angstroms
sigma value = 33


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

Energy: 0.47595534350731744
Energy: 0.6046240635990797
Energy: 0.6008065688994982
Energy: 0.47102269686878234
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Energy: 0.371668107083276
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Energy: 0.4065152400692039
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Energy: 0.378425194461895
Energy: 0.37596452587156654
Energy: 0.39561775747909345
Energy: 0.3785537292319738
Energy: 0.4821682470191608
Energy: 0.4808167050386353
Energy: 0.48055237049110405
Energy: 0.4808353306376819
Energy: 0.4810136523997811
Energy: 0.48088714604899474
Energy: 0.5474378227376557
Energy: 0.38379149576990906
Energy: 0.3821394909128922
Energy: 0.3877147084384753
Energy: 0.41686178169184285
Energy: 0.4031895418869116
Energy: 0.7148858665522217
Energy: 0.40558673745076473
Energy: 0.3696026538584359
Energy: 0.3601158598312077
Energy: 0.5355260041173706
Energy: 0.4017611457342304

minimum gb energy = 0.35742384240739195 eV
minimum distance =  2.66765814306583 Angstroms
sigma value = 67


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

Energy: 0.560501564600258
Energy: 0.37191728916117545
Energy: 0.37216878545972115
Energy: 0.37224212482175373
Energy: 0.63785299177959
Energy: 0.3722718638226484
Energy: 0.4970338082028436
Energy: 0.4054157372818712
Energy: 0.40579224244585316
Energy: 0.4044735059289437
Energy: 0.4449949012353058
Energy: 0.4045767111743652
Energy: 0.4415960421877378
Energy: 0.36760863584107056
Energy: 0.38742364317241285
Energy: 0.38703820311413156
Energy: 0.36937318535598573
Energy: 0.38717675235045385
Energy: 0.4411611042467709
Energy: 0.3933313569779868
Energy: 0.39269827240935024
Energy: 0.3898625314683409
Energy: 0.38875616816442093
Energy: 0.39277531691784767
Energy: 0.43892246565755244
Energy: 0.40458274984895554
Energy: 0.4051612069626697
Energy: 0.4388484310217683
Energy: 0.40725337773877773
Energy: 0.40624404469140163
Energy: 0.43791289193293703
Energy: 0.38380226032056713
Energy: 0.40580833154481566
Energy: 0.4382842811747028
Energy: 0.3819147111112022
Energy: 0.43997373773064935
Energy: 0.4942089673680598
Energy: 0.40552617674837393
Energy: 0.4060939944525355
Energy: 0.45113818270405276
Energy: 0.44291050945791605
Energy: 0.40588842830789235

minimum gb energy = 0.36760863584107056 eV
minimum distance =  2.71907811538483 Angstroms
sigma value = 3


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

Energy: 0.7767521438048992
Energy: 0.5561382136413524
Energy: 0.5043231650011869
Energy: 0.45282650294294585
Energy: 0.7056561637564258
Energy: 0.5142095230743674
Energy: 0.4497603716753272
Energy: 0.47634754045476235
Energy: 0.45436210343383915
Energy: 0.45283502209765536
Energy: 0.5008008937946453
Energy: 0.4534750860352423
Energy: 0.5090735968799942
Energy: 0.44397293126989124
Energy: 0.45347918166430307
Energy: 0.4869686377143643
Energy: 0.4484584955329624
Energy: 0.45995417131094185
Energy: 0.4624717248008406
Energy: 0.43648910973511845
Energy: 0.46085942018059817
Energy: 0.4633202730394499
Energy: 0.4484073242750941
Energy: 0.43554105485641925
Energy: 0.46414684900393044
Energy: 0.4755859029725779
Energy: 0.47591684161434217
Energy: 0.46679687216697435
Energy: 0.4779329135826571
Energy: 0.4761004437688563
Energy: 0.49264325021165173
Energy: 0.4836275744069373
Energy: 0.4899826639859793
Energy: 0.5044527027028123
Energy: 0.473680399223187
Energy: 0.48741554398109205
Energy: 0.4690936378562113
Energy: 0.4774000247426498
Energy: 0.5046697796193323
Energy: 0.4963551732591803
Energy: 0.5125147846865767
Energy: 0.5012783869237419
Energy: 0.582535346853221
Energy: 0.46955673647518054
Energy: 0.47975978583201245
Energy: 0.4500782358147388
Energy: 0.47038218377951657
Energy: 0.49526205198947476
Energy: 0.4801700891774993
Energy: 0.49637038184737925
Energy: 0.48746088354025224
Energy: 0.5035200876777728
Energy: 0.493546752760998
Energy: 0.4885434889278786
Energy: 0.5312850845501227
Energy: 0.45508279951726316
Energy: 0.4557113064483895
Energy: 0.527487583652792
Energy: 0.4551161747752934
Energy: 0.48287586635696444
Energy: 0.5369093881252343
Energy: 0.4742063609522556
Energy: 0.47911483202361116
Energy: 0.5126438828519153
Energy: 0.4740204139419853
Energy: 0.5055728839202155
Energy: 0.5429861605164534
Energy: 0.48143751701861603
Energy: 0.48219100932271314
Energy: 0.4969949484082941
Energy: 0.48598005420216767
Energy: 0.48375204707338537
Energy: 0.5045116907383159
Energy: 0.4613086357223604
Energy: 0.48010616765879216
Energy: 0.47513508283476674
Energy: 0.46644105948450043
Energy: 0.4799867855867349
Energy: 0.5457404612043281
Energy: 0.46084345051184306
Energy: 0.45663855700827427
Energy: 0.49044507182849195
Energy: 0.4590637910830509
Energy: 0.4566388154296778
Energy: 0.5331270688013148
Energy: 0.4598449475997023
Energy: 0.48544223567676553
Energy: 0.4683815056183392
Energy: 0.45969705475005884
Energy: 0.49091214559312013
Energy: 0.5679829839107587
Energy: 0.48053620482520526
Energy: 0.4639463773613699
Energy: 0.4876591196417951
Energy: 0.47813281585406275
Energy: 0.46429156486913714
Energy: 0.5976073340706619
Energy: 0.4635570185005781
Energy: 0.47884962803779485
Energy: 0.5370267567572247
Energy: 0.4645793072525873
Energy: 0.5209814220842928
Energy: 0.5323893812854392
Energy: 0.4713366305755126
Energy: 0.48379935921935835
Energy: 0.5167287367952565
Energy: 0.4831015795106994
Energy: 0.4913148432866808
Energy: 0.5980356283084323
Energy: 0.4742465280615148
Energy: 0.4717426074848363
Energy: 0.4542701961658593
Energy: 0.4994146563438704
Energy: 0.4547399979367533
Energy: 0.5560037351326053
Energy: 0.48254707044293765
Energy: 0.477212725112135
Energy: 0.45476868092668843
Energy: 0.4799889307942588
Energy: 0.45449300921765456
Energy: 0.4923645051263111
Energy: 0.48351373062702835
Energy: 0.4815334084494402
Energy: 0.5074640494569111
Energy: 0.486720961861742
Energy: 0.4804989348690798
Energy: 0.486734905315611
Energy: 0.499502341557751
Energy: 0.4917511918406019
Energy: 0.4906628927588488
Energy: 0.5001480041538329
Energy: 0.4918646350733443
Energy: 0.48682901151123487
Energy: 0.4977472831102497
Energy: 0.4893021634389413
Energy: 0.4881887918099726
Energy: 0.5053678190892317
Energy: 0.49656619025376614
Energy: 0.49350000498445784
Energy: 0.4447901977552054
Energy: 0.47066044088345055
Energy: 0.4931821188996956
Energy: 0.44550462137519176
Energy: 0.49223795723735947
Energy: 0.4673904403663582
Energy: 0.47707295097481484
Energy: 0.4761885900709665
Energy: 0.4720452088168031
Energy: 0.4642791620898397
Energy: 0.48097996635251883
Energy: 0.7121020651367784
Energy: 0.5357627598501002
Energy: 0.4905236083548855
Energy: 0.45591660469952017
Energy: 0.558578606887509
Energy: 0.4555418144773585
Energy: 0.611731083317907
Energy: 0.558993620881588
Energy: 0.47027119817477536
Energy: 0.45623110029740277
Energy: 0.5727689569015986
Energy: 0.4558047552302699
Energy: 0.4683834117503874
Energy: 0.4768578017909991
Energy: 0.46478545666892085
Energy: 0.49231312733564925
Energy: 0.46428006149696843
Energy: 0.4812025967940275
Energy: 0.4674954714335277
Energy: 0.4541378586432639
Energy: 0.4424928280075634
Energy: 0.46753526858661315
Energy: 0.4429274854207184
Energy: 0.46562758956295314
Energy: 0.46100241336766606
Energy: 0.4731315313524458
Energy: 0.4620725514628515
Energy: 0.46208329429440614
Energy: 0.5225659370888847
Energy: 0.46182082639113986
Energy: 0.4616560666679753
Energy: 0.47660609970513773
Energy: 0.47319958444635885
Energy: 0.4742380528995724
Energy: 0.4850875792100051
Energy: 0.4727168307653002
Energy: 0.4753282786265446
Energy: 0.4952598944192448
Energy: 0.49193094749057903
Energy: 0.4921759246331525
Energy: 0.532858812046038
Energy: 0.48634110726151386
Energy: 0.5822620612325388
Energy: 0.5215419932179649
Energy: 0.47840500692582977
Energy: 0.4444121564029208
Energy: 0.520597959589044
Energy: 0.464626978501547
Energy: 0.596381661935137
Energy: 0.4863821807937472
Energy: 0.48634022214889044
Energy: 0.46386195869543445
Energy: 0.4906729214729884
Energy: 0.48637161476380464
Energy: 0.4810837176304638
Energy: 0.4741084051456987
Energy: 0.47385971125498216
Energy: 0.4950140591357981
Energy: 0.4750496006832351
Energy: 0.4915067091500078
Energy: 0.5387927525233253
Energy: 0.45539265088701647
Energy: 0.4552491694012887
Energy: 0.5377146075612265
Energy: 0.45478127419735814
Energy: 0.49673389171390564
Energy: 0.5375829316697488
Energy: 0.49563492992330754
Energy: 0.4849150052195916
Energy: 0.5112178455697138
Energy: 0.4946933438094252
Energy: 0.49394268511834977
Energy: 0.5690088372272654
Energy: 0.4977700457383002
Energy: 0.4983959447037013
Energy: 0.4760498642238626
Energy: 0.48335254495703395
Energy: 0.4973830452122301
Energy: 0.528114790044669
Energy: 0.4640365756507926
Energy: 0.45802719933142344
Energy: 0.5136464832662827
Energy: 0.46099415139293687
Energy: 0.45919976342153235
Energy: 0.5317372075157688
Energy: 0.45959950489389256
Energy: 0.4596657742584718
Energy: 0.46808135802965123
Energy: 0.46423010110749424
Energy: 0.4595939887491537
Energy: 0.5896130709928001
Energy: 0.4671609540030914
Energy: 0.4687105720504034
Energy: 0.46388623331477785
Energy: 0.49316308420760135
Energy: 0.4581148314623555
Energy: 0.599523667547929
Energy: 0.49542286024903065
Energy: 0.49024013020722423
Energy: 0.5176143677497236
Energy: 0.4639312776093646
Energy: 0.5041959585362833
Energy: 0.5788435063321117
Energy: 0.4640456233494625
Energy: 0.4640442673272849
Energy: 0.5112212436194389
Energy: 0.46353593054835834
Energy: 0.4670724134468579
Energy: 0.5560423378760134
Energy: 0.48005467525183876
Energy: 0.48089090746118407
Energy: 0.4954753304116133
Energy: 0.47806284533417526
Energy: 0.468192084042834
Energy: 0.6629134784926222
Energy: 0.46632113565470124
Energy: 0.4674091936657091
Energy: 0.46876443810793367
Energy: 0.4669874063001508
Energy: 0.47020216861502406
Energy: 0.4934290893435217
Energy: 0.48539585187108353
Energy: 0.49288400905662455
Energy: 0.4927623552273347
Energy: 0.4875386843923522
Energy: 0.4863157467381076
Energy: 0.4853438128148262
Energy: 0.4963343952647282
Energy: 0.49483061650918225
Energy: 0.5036892160206657
Energy: 0.4838434526834748
Energy: 0.49294806483057096
Energy: 0.48890832675379353
Energy: 0.4949414091489339
Energy: 0.49461224441814006
Energy: 0.4902198333412046
Energy: 0.5030411598232846
Energy: 0.4903790610033237
Energy: 0.4896887597552193
Energy: 0.44347812347426113
Energy: 0.47309170998195793
Energy: 0.4912740225473219
Energy: 0.44446272027591455
Energy: 0.4482171788796463
Energy: 0.5081436683233652
Energy: 0.44987651771472154
Energy: 0.45072310111928104
Energy: 0.4877611018251643
Energy: 0.4441978299917295
Energy: 0.4605454869760778
Energy: 0.5226078509385628
Energy: 0.4822659126670645
Energy: 0.46371448366800394
Energy: 0.4763569583484837
Energy: 0.46486636845036894
Energy: 0.4774441297055645

minimum gb energy = 0.43554105485641925 eV
minimum distance =  2.62010263286137 Angstroms
sigma value = 81


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

Energy: 0.8069718190922839
Energy: 0.46549088931267946
Energy: 0.4370860686259193
Energy: 0.43779005961506884
Energy: 0.4857500887681607
Energy: 0.4647533659935486
Energy: 0.4468983457564021
Energy: 0.4374854704580163
Energy: 0.4494833559936381
Energy: 0.4443328367885622
Energy: 0.4382227428306731
Energy: 0.45526212347764117
Energy: 0.5071881970084056
Energy: 0.4677892970628743
Energy: 0.4697857210519268
Energy: 0.4554033895092078
Energy: 0.4680064764932336
Energy: 0.4611812098346261
Energy: 0.45616172714709674
Energy: 0.46741739851297615
Energy: 0.48214565297166917
Energy: 0.45828621743267717
Energy: 0.4585398771886204
Energy: 0.42633268723225864
Energy: 0.461798615103911
Energy: 0.4691967880713658
Energy: 0.47414237704788426
Energy: 0.4612072214596693
Energy: 0.47342743360668116
Energy: 0.4709688114658816
Energy: 0.4912173725780055
Energy: 0.4672456695563383
Energy: 0.4674255180823325
Energy: 0.47875772662973226
Energy: 0.4738563785297289
Energy: 0.4675010955119227
Energy: 0.46728965369371817
Energy: 0.4782791016781022
Energy: 0.4802193311505455
Energy: 0.4720205981267696
Energy: 0.4446512200318975
Energy: 0.47809964276086075
Energy: 0.6436653814375435
Energy: 0.5321296236025606
Energy: 0.5089196431304186
Energy: 0.4525474685266249
Energy: 0.5058191682508215
Energy: 0.4566905390365285
Energy: 0.48097426769013907
Energy: 0.48036919840050024
Energy: 0.48838904304611225
Energy: 0.48168951245668534
Energy: 0.4614210229698294
Energy: 0.4855820007573693
Energy: 0.49620054017218373
Energy: 0.4165085454028706
Energy: 0.4165116991040089
Energy: 0.47380684045807797
Energy: 0.41618990135934936
Energy: 0.4161293962599531
Energy: 0.48098451929223435
Energy: 0.41527416801205125
Energy: 0.41525512898918954
Energy: 0.48067295437595947
Energy: 0.4173438125511235
Energy: 0.45911602940196633
Energy: 0.45000523138455567
Energy: 0.489250858857484
Energy: 0.4908150923951103
Energy: 0.4568400387103273
Energy: 0.4908411150308804
Energy: 0.4982360573860366
Energy: 0.45052184667902195
Energy: 0.46222507764417703
Energy: 0.48909207256652215
Energy: 0.46739265741858105
Energy: 0.46271169636000564
Energy: 0.46916776550058825
Energy: 0.46910825336995915
Energy: 0.46930916574273235
Energy: 0.46720781601641465
Energy: 0.4674018072815695
Energy: 0.46497630426717235
Energy: 0.46735824185182784
Energy: 0.5461453903939284
Energy: 0.46535641087515345
Energy: 0.47514481023666094
Energy: 0.4645978964547303
Energy: 0.46566483378697526
Energy: 0.4649720100084866
Energy: 0.4670019466622976
Energy: 0.4677767113309916
Energy: 0.4637943980632931
Energy: 0.46816369919469136
Energy: 0.4665145924395777
Energy: 0.46486504803478373
Energy: 0.5420488377546353
Energy: 0.45222778569697347
Energy: 0.45807884179274094
Energy: 0.5080898730653157
Energy: 0.45177124450215456
Energy: 0.4578658780661543
Energy: 0.4511682497936956
Energy: 0.482619293563571
Energy: 0.48270712412602296
Energy: 0.46419042473033667
Energy: 0.4772730788109137
Energy: 0.481186814384881
Energy: 0.5690076330834846
Energy: 0.4606016833516676
Energy: 0.4157017817950721
Energy: 0.4155354167633988
Energy: 0.4648823806737537
Energy: 0.41567402011792753
Energy: 0.5689347345567105
Energy: 0.4659840334795398
Energy: 0.415949234542888
Energy: 0.41552351398403475
Energy: 0.4615957692112112
Energy: 0.4159797262010885
Energy: 0.4515048286557147
Energy: 0.476732019247701
Energy: 0.48253140691341584
Energy: 0.46239549769887095
Energy: 0.478560937589074
Energy: 0.48836424268892054
Energy: 0.4627358495790329
Energy: 0.4678398867923063
Energy: 0.4709226828588942
Energy: 0.49595059595803176
Energy: 0.46741943387615725
Energy: 0.46979741052653046
Energy: 0.46254736031900684
Energy: 0.488263511962741
Energy: 0.46948392082895646
Energy: 0.4665741526364006
Energy: 0.469991687912279
Energy: 0.471625596570686
Energy: 0.46327306479561303
Energy: 0.46577355084612115
Energy: 0.4660321334109781
Energy: 0.4661194102045824
Energy: 0.4725189556894364
Energy: 0.4656361439532707
Energy: 0.4647368317073853
Energy: 0.4672292732655977
Energy: 0.46416089442656633
Energy: 0.4650314513803443
Energy: 0.46776112946063164
Energy: 0.4666487134282572
Energy: 0.5281349188198221
Energy: 0.505499904076277
Energy: 0.5175043254469709
Energy: 0.4508289672338696
Energy: 0.505122957498012
Energy: 0.474812480485564
Energy: 0.5291725847048834
Energy: 0.5230083437538229
Energy: 0.48270251077786464
Energy: 0.46216967406939624
Energy: 0.509140968598442
Energy: 0.4818395086854686
Energy: 0.4784608910342398
Energy: 0.4153979002732178
Energy: 0.48051219700044423
Energy: 0.4799194218901767
Energy: 0.4340106152320196
Energy: 0.4809243914938328
Energy: 0.468539840211948
Energy: 0.41631730861401745
Energy: 0.41625880396129383
Energy: 0.46338875418991365
Energy: 0.4162732682160984
Energy: 0.4162552178903189
Energy: 0.48298689166778
Energy: 0.4885189911557099
Energy: 0.48897857470934797
Energy: 0.48340660971422406
Energy: 0.4707034113675937
Energy: 0.48690832961956426
Energy: 0.5257922074264175
Energy: 0.49220565260456395
Energy: 0.4936159432241486
Energy: 0.46722081243039604
Energy: 0.49409102525684273
Energy: 0.46797119907299406
Energy: 0.47078254524087576
Energy: 0.46328233605541097
Energy: 0.46909145523190304
Energy: 0.47129360814240273
Energy: 0.44287564290290854
Energy: 0.46735572298438116
Energy: 0.5406396826629819
Energy: 0.4713541713542529
Energy: 0.47143114763977445
Energy: 0.47033437971593967
Energy: 0.4702527783137373
Energy: 0.4695862066073664
Energy: 0.5403735915572031
Energy: 0.46808111297993005
Energy: 0.4735082183514922
Energy: 0.47536546150210557
Energy: 0.47286865926491173
Energy: 0.4692150612752124
Energy: 0.45833475253136685
Energy: 0.4411900033751027
Energy: 0.47566016024421787
Energy: 0.4606973766684392
Energy: 0.45729407851288845
Energy: 0.4732473026761833
Energy: 0.5724149349193633
Energy: 0.4513521182095727
Energy: 0.45150340059187194
Energy: 0.4744973966477518
Energy: 0.4512345224241796
Energy: 0.5164861866475625
Energy: 0.4579235779796783
Energy: 0.43768006935314313
Energy: 0.4558032332033307
Energy: 0.44354119806722725
Energy: 0.43795792714737725
Energy: 0.45556243053020185
Energy: 0.5912792723713244
Energy: 0.4555927281150306
Energy: 0.43710592733454284
Energy: 0.41676405638826214
Energy: 0.46938289281050843
Energy: 0.4660452610288427

minimum gb energy = 0.41525512898918954 eV
minimum distance =  2.67308836698296 Angstroms
sigma value = 43


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

Energy: 0.815632724130546
Energy: 0.55983943226014
Energy: 0.517732357018152
Energy: 0.46593342808782495
Energy: 0.5644926110643408
Energy: 0.465733131146475
Energy: 0.4164730572212453
Energy: 0.472185613771038
Energy: 0.4769524810314481
Energy: 0.44343783208465687
Energy: 0.45122159698169284
Energy: 0.43003897170701294
Energy: 0.43003637769085595
Energy: 0.41652947988079375
Energy: 0.41590191587788244
Energy: 0.44359365994893113
Energy: 0.4156001634390167
Energy: 0.4504733292972043
Energy: 0.42986706601536606
Energy: 0.41591683082590414
Energy: 0.43013855226108416
Energy: 0.42986432506327554
Energy: 0.4155006123573094
Energy: 0.42983808715599353
Energy: 0.4322290039050536
Energy: 0.4809679251330232
Energy: 0.4823874577535554
Energy: 0.43267603518794845
Energy: 0.47845133597475936
Energy: 0.47952673500861337
Energy: 0.4315396369710184
Energy: 0.4797110260092331
Energy: 0.48283448121448047
Energy: 0.47985036099504746
Energy: 0.43451261970837035
Energy: 0.4829231115110412
Energy: 0.44063776786779285
Energy: 0.42957600375765953
Energy: 0.42959061071496263
Energy: 0.4629148605726515
Energy: 0.4302117330045621
Energy: 0.42941510291722484
Energy: 0.5156851397042355
Energy: 0.4304664110444676
Energy: 0.47425010052372424
Energy: 0.4323244439074522
Energy: 0.43025121676047196
Energy: 0.4755875546582178
Energy: 0.4517932455756359
Energy: 0.4506131450948946
Energy: 0.42956021867595134
Energy: 0.43327988310569093
Energy: 0.45205397927257407
Energy: 0.43042984858868827
Energy: 0.5740885248175309
Energy: 0.4303925020742555
Energy: 0.45019021064408604
Energy: 0.5044256968003767
Energy: 0.4502875479127041
Energy: 0.44963903162051977
Energy: 0.41562930714501994
Energy: 0.4348895082078298
Energy: 0.45121812847485365
Energy: 0.4497012982704999
Energy: 0.4769072437688057
Energy: 0.47586473885180774
Energy: 0.4820321058438036
Energy: 0.45117200740975044
Energy: 0.4511147341192809
Energy: 0.41350579888600797
Energy: 0.4510089809189598
Energy: 0.4302749869796135
Energy: 0.5513587878300913
Energy: 0.45026365104035937
Energy: 0.44392462628931895
Energy: 0.43603982841470146
Energy: 0.45039984544922956
Energy: 0.44439655769769415
Energy: 0.4156241857860886
Energy: 0.46535232008154115
Energy: 0.476542823412075
Energy: 0.43335509970420266
Energy: 0.44499653854427657
Energy: 0.47815384723739607
Energy: 0.4157437142666526
Energy: 0.4797058365342042
Energy: 0.48039306977361024
Energy: 0.4148227614134301
Energy: 0.47862090690029013
Energy: 0.48123459594344253
Energy: 0.415650767049478
Energy: 0.4602643556769318
Energy: 0.41484389978644787
Energy: 0.41658928843183896
Energy: 0.47549090918194625
Energy: 0.41467041142497724
Energy: 0.4143899706761268
Energy: 0.43208393608083023
Energy: 0.43191758859000434
Energy: 0.4144919624107934
Energy: 0.477784669816894
Energy: 0.41486505534629897
Energy: 0.4148285180333663
Energy: 0.45113606662580813
Energy: 0.4460243326364964
Energy: 0.46496007396321326
Energy: 0.46136427850531603
Energy: 0.4648059804143361
Energy: 0.45057872068477006
Energy: 0.46609397752084814
Energy: 0.4656873455768816
Energy: 0.4143656985646498
Energy: 0.46468539616417176
Energy: 0.42929783450001485
Energy: 0.4861499504847351
Energy: 0.4666609170770486
Energy: 0.46566497003956514
Energy: 0.4292586852682154
Energy: 0.4657342031366682
Energy: 0.42951001938789807
Energy: 0.4147074016317565
Energy: 0.43999798439815135
Energy: 0.4399899569827708
Energy: 0.45444376493790095
Energy: 0.46835956545902185
Energy: 0.43790134819613835
Energy: 0.5213344994513622
Energy: 0.4451474342728607
Energy: 0.48268576544171077
Energy: 0.528068253350672
Energy: 0.4148022501900807
Energy: 0.48245858669679487
Energy: 0.47911733543234897
Energy: 0.46535034273940024
Energy: 0.43987718220642863
Energy: 0.4527101699865879
Energy: 0.4532913410894526
Energy: 0.43991397517150793
Energy: 0.47682468012373463
Energy: 0.4648539519780868
Energy: 0.4656012235796012
Energy: 0.43690093820941817
Energy: 0.4149734715681089
Energy: 0.4459304758459612
Energy: 0.4806948178495519
Energy: 0.41462803565417233
Energy: 0.41463658544216847
Energy: 0.46666517129611856
Energy: 0.4146409080705509
Energy: 0.41464098168488583
Energy: 0.4635743511669266
Energy: 0.41526162434732583
Energy: 0.41571991343889786
Energy: 0.44714135144597383
Energy: 0.4147662533448433
Energy: 0.4148177206084338
Energy: 0.4633828198235403
Energy: 0.4765391770908341
Energy: 0.48013429540589814
Energy: 0.4701061467605546
Energy: 0.4757705701453931
Energy: 0.4800020940624898
Energy: 0.4611827776011551
Energy: 0.47629072404856426
Energy: 0.43417931925689884
Energy: 0.4503821164654231
Energy: 0.43340671448325047
Energy: 0.4302853403961974
Energy: 0.47420038611132753
Energy: 0.43063801988003275
Energy: 0.45085071099102475
Energy: 0.4742611821153303
Energy: 0.4316034725858537
Energy: 0.47195252901753126
Energy: 0.42953157250368623
Energy: 0.4452890257264645
Energy: 0.4765579664112048
Energy: 0.4521519494011879
Energy: 0.4333709445549102
Energy: 0.4297414324932502
Energy: 0.5424550298467126
Energy: 0.5190772285434113
Energy: 0.4984771788530526
Energy: 0.44528482753894366
Energy: 0.4876733611435637
Energy: 0.43586933845603026

minimum gb energy = 0.41350579888600797 eV
minimum distance =  2.62946089983449 Angstroms
sigma value = 57


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

Energy: 0.6024081436620561
Energy: 0.4766058413783676
Energy: 0.47746879110514195
Energy: 0.406015252130479
Energy: 0.5060465878512346
Energy: 0.4768025855398
Energy: 0.38360363087973076
Energy: 0.42039578030574526
Energy: 0.4210704043821297
Energy: 0.42032258380649995
Energy: 0.41998682673366433
Energy: 0.4892496177198111
Energy: 0.41780595679666643
Energy: 0.3806164124075705
Energy: 0.3809491363921929
Energy: 0.41793202025342063
Energy: 0.3804221737512756
Energy: 0.38121613399643195
Energy: 0.4195315219613594
Energy: 0.38114661663086724
Energy: 0.38092030482671585
Energy: 0.416689062778537
Energy: 0.3807454975264999
Energy: 0.4165924254487081
Energy: 0.41672916766183754
Energy: 0.396414074925113
Energy: 0.3980132056828159
Energy: 0.417067973922483
Energy: 0.3963279765936887
Energy: 0.3975429383780133
Energy: 0.381267698706761
Energy: 0.39716829600332737
Energy: 0.3971378045670686
Energy: 0.4753334575930087
Energy: 0.4177827899620894
Energy: 0.39765697776387593
Energy: 0.47146702079014985
Energy: 0.41741021211614326
Energy: 0.41622785191265527
Energy: 0.472036822597639
Energy: 0.41844319877771124
Energy: 0.4165580310401053
Energy: 0.4161824413185435
Energy: 0.4750462693420639
Energy: 0.4759931317688142
Energy: 0.3982283962492204
Energy: 0.4748723923219016
Energy: 0.4187726352786242
Energy: 0.4199017510748449
Energy: 0.42081016259660126
Energy: 0.41808182036004615
Energy: 0.4204996833415938
Energy: 0.42133359852448493
Energy: 0.41788117102068195
Energy: 0.506051833665357
Energy: 0.4173026255175551
Energy: 0.41761440224844304
Energy: 0.506714582722125
Energy: 0.41724219069571117
Energy: 0.416861287413546
Energy: 0.467585772586067
Energy: 0.41685813068354965
Energy: 0.47141734238988287
Energy: 0.4201025402325909
Energy: 0.41656940141334614
Energy: 0.41799328910471906
Energy: 0.3806864789236263
Energy: 0.46695298453545303
Energy: 0.4679927425805424
Energy: 0.38215813198080556
Energy: 0.42014211702108484
Energy: 0.45175237369823984
Energy: 0.3818239089225197
Energy: 0.4287930888336557
Energy: 0.4523561541229648
Energy: 0.4520122776413175
Energy: 0.42787255035762034
Energy: 0.4523587463834248
Energy: 0.41682769870273273
Energy: 0.42078176500628744
Energy: 0.417402505974464
Energy: 0.42130170300180586
Energy: 0.4204083640683024
Energy: 0.417505851465601
Energy: 0.4167294852748068
Energy: 0.4726141151337145
Energy: 0.47562131589994827
Energy: 0.417266677815017
Energy: 0.472439865207642
Energy: 0.47425606408641696
Energy: 0.41662661771106024
Energy: 0.39695407505355157
Energy: 0.3969616870850679
Energy: 0.4174206809977557
Energy: 0.4205231196632346
Energy: 0.41720543950872774
Energy: 0.4166745018775127
Energy: 0.43423197568168265
Energy: 0.4361385442096433
Energy: 0.4184532174015258
Energy: 0.4747158938921045
Energy: 0.4356990178948124
Energy: 0.41702444564189506
Energy: 0.4172461592647003
Energy: 0.3980499465495851
Energy: 0.3970236133439324
Energy: 0.4169906355283658
Energy: 0.3976720455571285
Energy: 0.4214348738970557
Energy: 0.41659498371538795
Energy: 0.41673245449346713
Energy: 0.43426591329264597
Energy: 0.4163804222526258
Energy: 0.4172216250577912
Energy: 0.4209839678990884
Energy: 0.41792406966041773
Energy: 0.41768653264062017
Energy: 0.4686906873022009
Energy: 0.4723042453522936
Energy: 0.41784767159949854
Energy: 0.42142560601742135
Energy: 0.4211277953045538
Energy: 0.42172088456722395
Energy: 0.4203163015317728
Energy: 0.4207156692020001
Energy: 0.41707856051373104
Energy: 0.5058626502729203
Energy: 0.41875316885666186
Energy: 0.4178744049343847
Energy: 0.47646417160792337
Energy: 0.41756077762136334
Energy: 0.4171970213885132
Energy: 0.4168745833785343
Energy: 0.4206167107038058
Energy: 0.41781621278888165
Energy: 0.42129510058338404
Energy: 0.42090569329516686
Energy: 0.46871654756603004
Energy: 0.38195186145524235
Energy: 0.42883757392488453
Energy: 0.45217107322655553
Energy: 0.4519960190964632
Energy: 0.4208034164792335
Energy: 0.45253046400484453

minimum gb energy = 0.3804221737512756 eV
minimum distance =  2.67043995784106 Angstroms
sigma value = 17


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

Energy: 0.5183747170037809
Energy: 0.5114019495840364
Energy: 0.5127379841902795
Energy: 0.41250242523141034
Energy: 0.5922313195239982
Energy: 0.4136227228783047
Energy: 0.562533388878681
Energy: 0.4357881122552642
Energy: 0.43514585526491995
Energy: 0.4413512546613195
Energy: 0.44049017052419503
Energy: 0.4022648802799107
Energy: 0.4353557937875376
Energy: 0.3852359764061395
Energy: 0.3850710867415017
Energy: 0.43601960076893265
Energy: 0.385433373282351
Energy: 0.385441862176235
Energy: 0.4357583789669459
Energy: 0.3850896608556065
Energy: 0.3850798384845753
Energy: 0.4356297267462677
Energy: 0.3894398599848725
Energy: 0.435364181896375
Energy: 0.37626228452645605
Energy: 0.42595900289543825
Energy: 0.4261845112515568
Energy: 0.3768778796689059
Energy: 0.42575905515696916
Energy: 0.4254233287525977
Energy: 0.3848258259188582
Energy: 0.37073116382381976
Energy: 0.3708374224273982
Energy: 0.35510312547044115
Energy: 0.37060587326950584
Energy: 0.35538599307823177
Energy: 0.3763060875144803
Energy: 0.37086621239018536
Energy: 0.37079300389239933
Energy: 0.37614909772331123
Energy: 0.37247746532935033
Energy: 0.3708090242562197
Energy: 0.37059012539726105
Energy: 0.41432634459789225
Energy: 0.4141900031633958
Energy: 0.41418763188440383
Energy: 0.40980554788424395
Energy: 0.38657188017077326
Energy: 0.37140275093974734
Energy: 0.3726910585183558
Energy: 0.37176003917704187
Energy: 0.3721509432931887
Energy: 0.3775952733628156
Energy: 0.3706906100059065
Energy: 0.37032481170287845
Energy: 0.3715334718371925
Energy: 0.37175784919756283
Energy: 0.3705103315216298
Energy: 0.37127496201263016
Energy: 0.3719685155841602
Energy: 0.45447112362177383
Energy: 0.40478626114263017
Energy: 0.37049986589102046
Energy: 0.4259273311944331
Energy: 0.43495137597338845
Energy: 0.3720444500722958
Energy: 0.37173002429500207
Energy: 0.43560236373264044
Energy: 0.43515982042549645
Energy: 0.40111356431302453
Energy: 0.4353539629603252
Energy: 0.4354432218027347
Energy: 0.4333767345035649
Energy: 0.43595221643703735
Energy: 0.4355840712826081
Energy: 0.40121467732403543
Energy: 0.4356231869686627
Energy: 0.43583038795219403
Energy: 0.5272135993159222
Energy: 0.4356350119379204
Energy: 0.43571677941769765
Energy: 0.4359349876059577
Energy: 0.4359192048831339
Energy: 0.40209079984624274
Energy: 0.5033347043034377
Energy: 0.4359909799747454
Energy: 0.46124201816538335
Energy: 0.443805202811117
Energy: 0.43647509941959833
Energy: 0.4621912881298454
Energy: 0.5067099337992694
Energy: 0.4405319712967522
Energy: 0.5013013592025735
Energy: 0.4365958547151682
Energy: 0.44138178086447033
Energy: 0.4351182715908167
Energy: 0.5067434416197686
Energy: 0.4359453186027286
Energy: 0.48539133692447944
Energy: 0.449454909059707
Energy: 0.4442398098086884
Energy: 0.48520399006779286

minimum gb energy = 0.35510312547044115 eV
minimum distance =  2.64790901798858 Angstroms
sigma value = 17


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

Energy: 0.5003744226939764
Energy: 0.5073128386377168
Energy: 0.4199279985010392
Energy: 0.4176153275874603
Energy: 0.6125071145845434
Energy: 0.42073845219968664
Energy: 0.5287584656956809
Energy: 0.444085474964246
Energy: 0.4404389557507279
Energy: 0.4444813315182628
Energy: 0.4419572549831457
Energy: 0.40958879070518306
Energy: 0.5425818390550069
Energy: 0.3522137088344838
Energy: 0.39566813968846865
Energy: 0.4426614814800136
Energy: 0.38877263472784485
Energy: 0.39564660611841135
Energy: 0.44489102291431715
Energy: 0.3957228964819462
Energy: 0.39581979842427045
Energy: 0.44538889569905027
Energy: 0.47772555020433327
Energy: 0.3958450191766587
Energy: 0.38071017402214796
Energy: 0.4262379267973466
Energy: 0.3764303070039472
Energy: 0.38120636002901676
Energy: 0.42678304724324445
Energy: 0.3755509031511968
Energy: 0.3960318479649163
Energy: 0.3748237646465156
Energy: 0.35348045180610693
Energy: 0.35235896496332025
Energy: 0.3748126588004163
Energy: 0.3522876022280391
Energy: 0.41196520765637573
Energy: 0.37823681664897535
Energy: 0.37463434910074045
Energy: 0.34679874030799807
Energy: 0.3757225298604176
Energy: 0.3667889594364114
Energy: 0.34584793147634674
Energy: 0.3389626972985902
Energy: 0.3982819973146529
Energy: 0.4013103636355788
Energy: 0.33928373202374223
Energy: 0.399236794432225
Energy: 0.34848054852555566
Energy: 0.3465973064329026
Energy: 0.346201952767395
Energy: 0.34751394983051004
Energy: 0.35013182625152184
Energy: 0.3465295197181956
Energy: 0.3466685368981638
Energy: 0.38986501292846576
Energy: 0.37928682093242927
Energy: 0.3466291864595367
Energy: 0.38935096417220316
Energy: 0.391637189781725
Energy: 0.35659249422731387
Energy: 0.3463046309591827
Energy: 0.3465880059133547
Energy: 0.38995058328227966
Energy: 0.3464742667306225
Energy: 0.3906052651534239
Energy: 0.40817197708248537
Energy: 0.34650041902862827
Energy: 0.3465311136983879
Energy: 0.40862784893202786
Energy: 0.3493103846534925
Energy: 0.3461287798787161
Energy: 0.3746741133931979
Energy: 0.39798433685069157
Energy: 0.34744317324356355
Energy: 0.37458623447952116
Energy: 0.397645515370388
Energy: 0.34645082762417145
Energy: 0.37528423627413193
Energy: 0.4497892115054147
Energy: 0.37517458152008126
Energy: 0.3762884867496694
Energy: 0.34624457141817916
Energy: 0.37484320916173697
Energy: 0.3747274282630987
Energy: 0.3467192052430933
Energy: 0.34671333670282056
Energy: 0.37482222076296345
Energy: 0.3466206561883488
Energy: 0.3754454616353249
Energy: 0.44722647888998485
Energy: 0.38322754395735664
Energy: 0.3765748796268058
Energy: 0.42713914814541787
Energy: 0.44279531352219637
Energy: 0.3760011830638421
Energy: 0.4682041973590513
Energy: 0.4419197524404588
Energy: 0.44212537393430235
Energy: 0.4687562158976376
Energy: 0.44214720888161974
Energy: 0.3743059468396011
Energy: 0.4436031898627343
Energy: 0.4415159855991984
Energy: 0.44149439043062727
Energy: 0.44382666704345725
Energy: 0.44152102908761853
Energy: 0.3748647174187169
Energy: 0.4479821779642218
Energy: 0.4410013260339443
Energy: 0.4114825396417886
Energy: 0.3818298844740736
Energy: 0.500021264300196
Energy: 0.4111535613193851
Energy: 0.44480702930803556
Energy: 0.3750972847238716
Energy: 0.39720413045804437
Energy: 0.453570339066354
Energy: 0.3745015780265262
Energy: 0.44294593610009775
Energy: 0.558680541266707
Energy: 0.44063950606376046
Energy: 0.4402937652285344
Energy: 0.44158729136033154
Energy: 0.4445560673545377
Energy: 0.4402106714537597
Energy: 0.4762291135035439
Energy: 0.44617715607249625
Energy: 0.4864087603341499
Energy: 0.3955357810265117
Energy: 0.4461558547836454
Energy: 0.39566703987789165
Energy: 0.476747976530378
Energy: 0.4439660650337996
Energy: 0.44101585057304066
Energy: 0.47739961177091156
Energy: 0.4429174058738873
Energy: 0.4859905537651543
Energy: 0.5464801848836618
Energy: 0.388657734895198
Energy: 0.44029581542820057
Energy: 0.44421735983220884
Energy: 0.4791699426372474
Energy: 0.44080138635295724
Energy: 0.4428177251566344
Energy: 0.35200828250842586
Energy: 0.39584172991898586
Energy: 0.44246247120408255
Energy: 0.35204729256482936
Energy: 0.3959147459587685
Energy: 0.3825941480917808
Energy: 0.42897134473871035
Energy: 0.3771392697621071
Energy: 0.3829998079943433
Energy: 0.42866146033706276
Energy: 0.4090248292085452
Energy: 0.3962947536035772
Energy: 0.37692124934693483
Energy: 0.3754340611124979
Energy: 0.3521729897534088
Energy: 0.4332512380717117
Energy: 0.3522281126154065
Energy: 0.40358314786735794
Energy: 0.37830114414748683
Energy: 0.3748813367800893
Energy: 0.4043440690392124
Energy: 0.3761130769737891
Energy: 0.3749489856278396
Energy: 0.3997002690204089
Energy: 0.3669254638457745
Energy: 0.39557927981825525
Energy: 0.44541111916838194
Energy: 0.3535628285818604
Energy: 0.39634690294758984
Energy: 0.35384833040136504
Energy: 0.3392382137816387
Energy: 0.3465545141149071
Energy: 0.3466516004189543
Energy: 0.33918119172415134
Energy: 0.3461630909289227
Energy: 0.34869687741429706
Energy: 0.38997605916462147
Energy: 0.3899157108340007
Energy: 0.34938102457833325
Energy: 0.39029258961145374
Energy: 0.3463642502092668
Energy: 0.3469096910489007
Energy: 0.43306912064504305
Energy: 0.4341087849862106
Energy: 0.361867585704738
Energy: 0.34578904178930453
Energy: 0.4348401922179017
Energy: 0.38909145027099706
Energy: 0.3493745988296229
Energy: 0.34649617361480844
Energy: 0.3898599263857983
Energy: 0.3488043105381092
Energy: 0.34644131896720926
Energy: 0.37455481679745856
Energy: 0.3466622215365603
Energy: 0.34620767917279655
Energy: 0.34696185265384605
Energy: 0.345881116045048
Energy: 0.4485599962093736
Energy: 0.37756382288668666
Energy: 0.44296436648847803
Energy: 0.39476624889670087
Energy: 0.3782952552470958
Energy: 0.444271735711145
Energy: 0.36620709306189997
Energy: 0.3748195106182927
Energy: 0.3464932388559157
Energy: 0.37505426490300675
Energy: 0.37476614263269664
Energy: 0.34703755735678754
Energy: 0.37503557132208254
Energy: 0.3781125549848514
Energy: 0.37539437486653304
Energy: 0.3752542315928699
Energy: 0.37639269705146516
Energy: 0.4117305476306754
Energy: 0.37521318042379487
Energy: 0.46985300701238963
Energy: 0.4411551840819873
Energy: 0.4407050929561569
Energy: 0.5033406168309371
Energy: 0.44272381120533255
Energy: 0.41195646649326956
Energy: 0.441618861376534
Energy: 0.4418558720750738
Energy: 0.37680299203843703
Energy: 0.3744912898379068
Energy: 0.4622534447258564
Energy: 0.3751615213140179
Energy: 0.43904984613636816
Energy: 0.4434367325746679
Energy: 0.4409165217094382
Energy: 0.38182110232164934
Energy: 0.4425285363113584
Energy: 0.4090459804842645
Energy: 0.4623888839416975
Energy: 0.3741207495867774
Energy: 0.4410059265552504
Energy: 0.44244836484527195
Energy: 0.3744204323940118
Energy: 0.4422307288109887
Energy: 0.5448382096350639
Energy: 0.41320755867427683
Energy: 0.43902953638342573
Energy: 0.4446264120107421
Energy: 0.47985761407916366
Energy: 0.4403688719216682
Energy: 0.47722104073722815
Energy: 0.4471581749725561
Energy: 0.44105725868360407
Energy: 0.47796505468159534
Energy: 0.4452902486371839
Energy: 0.48325242254059436

minimum gb energy = 0.3389626972985902 eV
minimum distance =  2.64136796885888 Angstroms
sigma value = 57


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

Energy: 0.427301616084069
Energy: 0.4923110825693893
Energy: 0.41632589637393785
Energy: 0.3598650205174295
Energy: 0.5840661601823248
Energy: 0.41769439398134756
Energy: 0.5038163681418928
Energy: 0.43904346918297427
Energy: 0.3813979101646132
Energy: 0.43993651485037955
Energy: 0.43709455366179467
Energy: 0.4083450376447493
Energy: 0.521852892878878
Energy: 0.3535622144159013
Energy: 0.35377861595014104
Energy: 0.44222198660117995
Energy: 0.35344861039166264
Energy: 0.3963795885486924
Energy: 0.44148625887197124
Energy: 0.3532754852393396
Energy: 0.39628151546576285
Energy: 0.44189450217165993
Energy: 0.41791889392810866
Energy: 0.3964953804590753
Energy: 0.416718548345997
Energy: 0.3796424442723251
Energy: 0.382350806814949
Energy: 0.4173151237755281
Energy: 0.37740064887138913
Energy: 0.37582427259849466
Energy: 0.3538170687103084
Energy: 0.37540795386403863
Energy: 0.35427931453928735
Energy: 0.3322733272923168
Energy: 0.37550727227153047
Energy: 0.35376034719869015
Energy: 0.43683690967470945
Energy: 0.3797189094235807
Energy: 0.38209599595140714
Energy: 0.35982150200466917
Energy: 0.37850969796307565
Energy: 0.3646989818851413
Energy: 0.3428574613390711
Energy: 0.3320285169785437
Energy: 0.33236291612114627
Energy: 0.34461641524800096
Energy: 0.3316910678873745
Energy: 0.34406495183043934
Energy: 0.3455681910120523
Energy: 0.34333183969559256
Energy: 0.3432444799639093
Energy: 0.34628680301394044
Energy: 0.3755260252323156
Energy: 0.34317287768208676
Energy: 0.34316565963100043
Energy: 0.4138751932648551
Energy: 0.3737440875585306
Energy: 0.3431712119154859
Energy: 0.41514178113002886
Energy: 0.3693850608099592
Energy: 0.3318879513267597
Energy: 0.3287749714107214
Energy: 0.3289109046730936
Energy: 0.33025038018831576
Energy: 0.33809260261558616
Energy: 0.32988810428589754
Energy: 0.37168562347963224
Energy: 0.3333704455151874
Energy: 0.33651537213732635
Energy: 0.37109637396197825
Energy: 0.33344419011936166
Energy: 0.32925084682585126
Energy: 0.32857138506479033
Energy: 0.34176755498735367
Energy: 0.4090960373313753
Energy: 0.328678401611885
Energy: 0.3433780610265594
Energy: 0.4147419356320516
Energy: 0.32934197618779026
Energy: 0.37044474942479516
Energy: 0.32886643219484635
Energy: 0.33018775998334954
Energy: 0.39862695968826783
Energy: 0.3360833259353199
Energy: 0.32889675634688914
Energy: 0.3302369269568911
Energy: 0.3298610550246388
Energy: 0.32886948011313233
Energy: 0.33069316244160596
Energy: 0.32978913717384173
Energy: 0.35339180630399863
Energy: 0.3433578758782381
Energy: 0.3433667678742863
Energy: 0.37469746003885673
Energy: 0.3485943685702273
Energy: 0.4124865475579719
Energy: 0.3978989174436442
Energy: 0.3498224699243047
Energy: 0.3430836097377378
Energy: 0.34308408599484047
Energy: 0.34784793391853897
Energy: 0.3432860926431784
Energy: 0.3763869891522554
Energy: 0.3492206735608656
Energy: 0.3436913759832868
Energy: 0.37730250768398815
Energy: 0.34826063612659336
Energy: 0.3436940389452571
Energy: 0.3758563508666015
Energy: 0.3616502642735109
Energy: 0.3754838640712297
Energy: 0.37673979466299323
Energy: 0.34321236908189173
Energy: 0.3756811508475627
Energy: 0.3753534147529227
Energy: 0.34350393397159706
Energy: 0.34391185503443444
Energy: 0.37517593657025977
Energy: 0.3435533785583523
Energy: 0.3753447474858473
Energy: 0.48273739558437334
Energy: 0.3815117565754264
Energy: 0.37928648723672564
Energy: 0.42239844320676095
Energy: 0.43039752842554996
Energy: 0.3766216378900629
Energy: 0.42424552605484145
Energy: 0.4369905013128327
Energy: 0.37567707853915533
Energy: 0.34316097751516283
Energy: 0.4433204200996734
Energy: 0.3755265513730474
Energy: 0.43830983909495325
Energy: 0.44345467975151204
Energy: 0.4362812605544568
Energy: 0.4388910257263789
Energy: 0.44094345569384136
Energy: 0.43572753720963225
Energy: 0.499228013221079
Energy: 0.3767570676089503
Energy: 0.40975272466063106
Energy: 0.3952703850558165
Energy: 0.4770044865638333
Energy: 0.38219675248309104
Energy: 0.5247263365686261
Energy: 0.37523578888506043
Energy: 0.37536745874789273
Energy: 0.48094587879330686
Energy: 0.37572138658474885
Energy: 0.4370414482825636
Energy: 0.5499054096835914
Energy: 0.43912635567616204
Energy: 0.4421176577360753
Energy: 0.4377095361077694
Energy: 0.4385419078468381
Energy: 0.4612361330338721
Energy: 0.42917037677996595
Energy: 0.437837190488447
Energy: 0.3965996484253915
Energy: 0.3541195976147232
Energy: 0.4365187096786538
Energy: 0.3963924754422064

minimum gb energy = 0.32857138506479033 eV
minimum distance =  2.64307952066037 Angstroms
sigma value = 43


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

Energy: 0.36710295493984013
Energy: 0.4531262868827523
Energy: 0.396914377596783
Energy: 0.38586820244523
Energy: 0.4802635021814538
Energy: 0.35880597703563094
Energy: 0.44384639765673795
Energy: 0.35555685907768186
Energy: 0.35570472598486647
Energy: 0.39933629233170603
Energy: 0.35554077408001744
Energy: 0.3888891229786767
Energy: 0.46583223691633574
Energy: 0.312427161077849
Energy: 0.33468773667690227
Energy: 0.4019026340419889
Energy: 0.3125707428125345
Energy: 0.33454292621223003
Energy: 0.39933408861109837
Energy: 0.334765158946144
Energy: 0.33462493418614303
Energy: 0.35495274644763214
Energy: 0.3593161379108446
Energy: 0.37041278053666715
Energy: 0.3751914752152992
Energy: 0.35292947196312313
Energy: 0.3527729838644908
Energy: 0.3754025822026542
Energy: 0.3549669070612692
Energy: 0.3528911369877326
Energy: 0.35021206374863534
Energy: 0.3526551435217731
Energy: 0.334973552669071
Energy: 0.3361462649503389
Energy: 0.3527057101156162
Energy: 0.3125554266850992
Energy: 0.4339172226278568
Energy: 0.3531538290166602
Energy: 0.35268480097287286
Energy: 0.3247052076756407
Energy: 0.35553300473680866
Energy: 0.3509371872427386
Energy: 0.4157696762374439
Energy: 0.2983887795973333
Energy: 0.312617869527809
Energy: 0.3239588414294687
Energy: 0.29857228617550036
Energy: 0.31261713948663994
Energy: 0.3256329831847058
Energy: 0.3124843701995971
Energy: 0.32358241868359244
Energy: 0.32634512137217336
Energy: 0.36132323630942653
Energy: 0.32374067545976937
Energy: 0.3423064318312657
Energy: 0.3447727373088438
Energy: 0.3082554753186538
Energy: 0.34235474595783005
Energy: 0.34441041849148935
Energy: 0.3061853457392444
Energy: 0.35092713826537664
Energy: 0.30565138251803387
Energy: 0.30563104676989805
Energy: 0.2943358971527262
Energy: 0.3056332989724317
Energy: 0.2985601989610507
Energy: 0.37543590315607833
Energy: 0.30583468558933824
Energy: 0.30562106220869
Energy: 0.37584857933680976
Energy: 0.3059186063335678
Energy: 0.34213072627013036
Energy: 0.29561699680977077
Energy: 0.34778206831965897
Energy: 0.2958107509311731
Energy: 0.325331883408919
Energy: 0.3485696057447787
Energy: 0.2952625425834501
Energy: 0.2955661092890301
Energy: 0.33502670173572535
Energy: 0.2949265857675128
Energy: 0.2966593896735746
Energy: 0.345033387463178
Energy: 0.29505377503475594
Energy: 0.29495384061461905
Energy: 0.36891828806051064
Energy: 0.36705495890433676
Energy: 0.29489066015461907
Energy: 0.323071623747568
Energy: 0.3226579432400089
Energy: 0.33364849312442924
Energy: 0.290001392137312
Energy: 0.2897582538791752
Energy: 0.3242652678398809
Energy: 0.29006827767009613
Energy: 0.29125270340607584
Energy: 0.32900796760455886
Energy: 0.28995523601798046
Energy: 0.2896788205239107
Energy: 0.3294365248094551
Energy: 0.2900816204803668
Energy: 0.32578995185324
Energy: 0.2897415397584788
Energy: 0.34957801050009346
Energy: 0.34682894524957425
Energy: 0.28973230056151345
Energy: 0.3235584699394194
Energy: 0.3681369048138108
Energy: 0.29005019484013633
Energy: 0.35613947240988014
Energy: 0.2899026676958732
Energy: 0.29114996620063976
Energy: 0.34223030370327945
Energy: 0.29015061324034735
Energy: 0.28996167715283044
Energy: 0.34991687078344397
Energy: 0.3482601720688667
Energy: 0.29006005498730664
Energy: 0.3520451416853509
Energy: 0.34765538402831886
Energy: 0.3073048562616264
Energy: 0.2952122165209286
Energy: 0.2948042365333001
Energy: 0.2969567312639155
Energy: 0.2952197383502598
Energy: 0.3584071091654362
Energy: 0.35567112574591936
Energy: 0.2950026985401787
Energy: 0.2948306843219357
Energy: 0.31933716689704156
Energy: 0.2953516912494813
Energy: 0.29625485013630254
Energy: 0.30560526389778986
Energy: 0.3708813077709889
Energy: 0.37000730833870965
Energy: 0.30554223408794123
Energy: 0.33702196056335054
Energy: 0.29559436907188474
Energy: 0.30634562966787
Energy: 0.3450005240037316
Energy: 0.30569121229478247
Energy: 0.3073392326351695
Energy: 0.35537353558094065
Energy: 0.30585384180812675
Energy: 0.3061263142928092
Energy: 0.2950979934917989
Energy: 0.3064766278806329
Energy: 0.3066394555099652
Energy: 0.295402948492126
Energy: 0.3065123777065855
Energy: 0.4032736157416522
Energy: 0.32388049233726496
Energy: 0.3237049719860907
Energy: 0.32635773647044547
Energy: 0.32411397879805204
Energy: 0.3784204589935009
Energy: 0.3525422976989821
Energy: 0.3236432983025752
Energy: 0.3235911767622854
Energy: 0.29591263731060163
Energy: 0.32358572454785023
Energy: 0.3062326805072777
Energy: 0.33781963252913755
Energy: 0.3239890242621553
Energy: 0.3240768706586005
Energy: 0.33777470825709116
Energy: 0.3262929113425271
Energy: 0.324240484450107
Energy: 0.35507975739882613
Energy: 0.3238700992338525
Energy: 0.35270081476506415
Energy: 0.3558499736647958
Energy: 0.368285465548902
Energy: 0.35278369601680676
Energy: 0.4350266542006676
Energy: 0.3059897068709303
Energy: 0.3238714247538585
Energy: 0.3527695964615347
Energy: 0.30592615968166503
Energy: 0.32381508083462124
Energy: 0.46553689003565213
Energy: 0.3554842792297254
Energy: 0.3537107435280142
Energy: 0.3558119366701688
Energy: 0.35573300013385933
Energy: 0.35379061873084217
Energy: 0.3562123035336352
Energy: 0.4012982585435089
Energy: 0.35253803060048355
Energy: 0.33879092823758744
Energy: 0.40119172660436736
Energy: 0.3236270571947495
Energy: 0.3874011350868867
Energy: 0.3995581968157947
Energy: 0.3992694925903283
Energy: 0.38750606236170154
Energy: 0.40245396717785004
Energy: 0.39359598090124026
Energy: 0.43499647472283814
Energy: 0.3524516451267136
Energy: 0.3526010897084989
Energy: 0.3552076635970514
Energy: 0.3772838575863897
Energy: 0.401294149642142
Energy: 0.46565108893256474
Energy: 0.3239719790367072
Energy: 0.3526995542127236
Energy: 0.4019741659797787
Energy: 0.32421795556855015
Energy: 0.35265261941834597
Energy: 0.443846463903388
Energy: 0.3988210625848626
Energy: 0.39874179350375705
Energy: 0.39921053050211813
Energy: 0.4023303364018196
Energy: 0.39320494697450126

minimum gb energy = 0.2896788205239107 eV
minimum distance =  2.63672270580722 Angstroms
sigma value = 81


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

Energy: 0.08594278463615403
Energy: 0.10838926179206446
Energy: 0.0861071814398615
Energy: 0.08757072850671242
Energy: 0.1276958296993584
Energy: 0.08638628581164279
Energy: 0.1078882677923358
Energy: 0.09070031329034932
Energy: 0.08762609104373138
Energy: 0.11038834417162509
Energy: 0.08814109630258495
Energy: 0.0880012495269513
Energy: 0.12765810534343514
Energy: 0.08616700610786794
Energy: 0.0862069353245607
Energy: 0.1090526902791442
Energy: 0.0862844289231387
Energy: 0.1078754942268106
Energy: 0.08940352166659414
Energy: 0.08630680811027115
Energy: 0.08666819850278355
Energy: 0.09018277091950358
Energy: 0.08628598175032774
Energy: 0.10773811791353372
Energy: 0.10761643689088907
Energy: 0.10913080399841651
Energy: 0.10969858621282176
Energy: 0.10807410998727417
Energy: 0.08798084907846164
Energy: 0.10979111226186677
Energy: 0.08633539000517228
Energy: 0.08806462414234772
Energy: 0.08606757889928995
Energy: 0.08740117868386232
Energy: 0.08782741093480052
Energy: 0.08619843214421351
Energy: 0.10998201310217753
Energy: 0.08755261241414568
Energy: 0.0876517387840264
Energy: 0.10932020146387884
Energy: 0.08843065718448538
Energy: 0.08766611874453445
Energy: 0.10976675430286453
Energy: 0.08612020466110168
Energy: 0.08641187249982768
Energy: 0.10949462141056227
Energy: 0.0861114669176684
Energy: 0.10816161018065414
Energy: 0.0881483245916524
Energy: 0.08605755972302297
Energy: 0.10787860425308132
Energy: 0.0889234207770871
Energy: 0.08639800850647458
Energy: 0.10850855821975107
Energy: 0.08664754909139334
Energy: 0.10865149129973267
Energy: 0.10888382464427757
Energy: 0.08645276212472613
Energy: 0.10890535681664197
Energy: 0.10902212012145318

minimum gb energy = 0.08594278463615403 eV
minimum distance =  2.83896813650342 Angstroms
sigma value = 3


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

Energy: 0.38996234223053855
Energy: 0.43501212262418043
Energy: 0.4076201610989693
Energy: 0.35797658968736457
Energy: 0.42127160883293213
Energy: 0.3626985762397424
Energy: 0.3928107725387933
Energy: 0.4049764070402582
Energy: 0.4049814942874479
Energy: 0.40561625040070437
Energy: 0.4073783155524716
Energy: 0.4120513394983856
Energy: 0.4114735853786127
Energy: 0.37695958349086334
Energy: 0.3995279387223803
Energy: 0.4057994535590781
Energy: 0.3770375689029118
Energy: 0.4101287633844075
Energy: 0.3782844176239839
Energy: 0.376961115554807
Energy: 0.3950719395947053
Energy: 0.3787797538482058
Energy: 0.3363807707035093
Energy: 0.4099880759729265
Energy: 0.33627735129497105
Energy: 0.41171151768631314
Energy: 0.4118773662960203
Energy: 0.33634222172972605
Energy: 0.40716927129644526
Energy: 0.4138281446436704
Energy: 0.3117195186301851
Energy: 0.41117501177243354
Energy: 0.37353649186759275
Energy: 0.3478093535728349
Energy: 0.4244831632568715
Energy: 0.3536820158466401
Energy: 0.37195389230636017
Energy: 0.33702386794134825
Energy: 0.3372680147078209
Energy: 0.3789174428818657
Energy: 0.3370527934649862
Energy: 0.37249045724504426
Energy: 0.38061261606173186
Energy: 0.3474814424844134
Energy: 0.3571320632981996
Energy: 0.3814041388259098
Energy: 0.3320910673415793
Energy: 0.3595029266124741
Energy: 0.4009283763135995
Energy: 0.3786398795226405
Energy: 0.39756924350370687
Energy: 0.39508908756942057
Energy: 0.31193076068099296
Energy: 0.39651050012913686
Energy: 0.31232257927727036
Energy: 0.3372315583014609
Energy: 0.33718039521435095
Energy: 0.31237449642760207
Energy: 0.3395981495998686
Energy: 0.359128848471834
Energy: 0.29758504624221027
Energy: 0.3705150355876353
Energy: 0.33861517044299033
Energy: 0.3323039400200344
Energy: 0.3690207204638247
Energy: 0.3422848765175647
Energy: 0.3121797265842459
Energy: 0.3816551237626944
Energy: 0.3809127955665483
Energy: 0.31215218694196495
Energy: 0.3309361746298299
Energy: 0.31226057170361876
Energy: 0.3176162693208868
Energy: 0.32490655808540625
Energy: 0.31326943287289505
Energy: 0.3132494332620138
Energy: 0.32506728097391957
Energy: 0.31385766808327936
Energy: 0.3764942360959785
Energy: 0.2974864155110837
Energy: 0.29737028496292894
Energy: 0.34710430743012866
Energy: 0.2971773973516944
Energy: 0.35690808735757795
Energy: 0.2905300763715174
Energy: 0.2971416112939776
Energy: 0.2970926946377491
Energy: 0.29015457209756407
Energy: 0.2990451291048636
Energy: 0.2971348578343753
Energy: 0.2903525527804937
Energy: 0.33209470982990025
Energy: 0.36552850777569895
Energy: 0.32569477059196245
Energy: 0.33114247212051034
Energy: 0.368180392033234
Energy: 0.29255508993724816
Energy: 0.34714320030754753
Energy: 0.29039429809236106
Energy: 0.2901057862706402
Energy: 0.33228375084703976
Energy: 0.29004271810547305
Energy: 0.28992409742096237
Energy: 0.3248736228719812
Energy: 0.2904699077137179
Energy: 0.290064831426109
Energy: 0.3252357755495907
Energy: 0.2906443140326175
Energy: 0.36561618298538057
Energy: 0.29072182155794674
Energy: 0.2904612590022783
Energy: 0.326440399256577
Energy: 0.2903265551102836
Energy: 0.3242053501036494
Energy: 0.3652559352200793
Energy: 0.2899701119159805
Energy: 0.2900552003528811
Energy: 0.36640704116082073
Energy: 0.2921533207387086
Energy: 0.28991740580412656
Energy: 0.298585419040708
Energy: 0.3252258021012961
Energy: 0.3678853884083902
Energy: 0.3318002387405217
Energy: 0.3250336809658691
Energy: 0.3646925723530073
Energy: 0.29916936747218936
Energy: 0.32814130266803376
Energy: 0.2976373914943074
Energy: 0.2998020221562179
Energy: 0.325209626562111
Energy: 0.2975643759236727
Energy: 0.29698525527686886
Energy: 0.3671067481021359
Energy: 0.3659395159916272
Energy: 0.2971035671180339
Energy: 0.34635938672071265
Energy: 0.2976024745327856
Energy: 0.29324391711461995
Energy: 0.31419139998192536
Energy: 0.31416687261687076
Energy: 0.32684654087228876
Energy: 0.3140468661624177
Energy: 0.3136068480768917
Energy: 0.2975096054718656
Energy: 0.31219667593669537
Energy: 0.31209946964694213
Energy: 0.2978427669394884
Energy: 0.31220983627395904
Energy: 0.3121684028014093
Energy: 0.38946099947272617
Energy: 0.33742936014992597
Energy: 0.3373325486668603
Energy: 0.3693817647192001
Energy: 0.3265813041675836
Energy: 0.3696852213709978
Energy: 0.3396202099982145
Energy: 0.33757042111943275
Energy: 0.3398942518368803
Energy: 0.34025779545138657
Energy: 0.30258603525594086
Energy: 0.3379758261980867
Energy: 0.3215520135348069
Energy: 0.40075429550178726
Energy: 0.40015339125759514
Energy: 0.32154164510221744
Energy: 0.3997434547294376
Energy: 0.3980406146704371
Energy: 0.30178522902484933
Energy: 0.37829607521332514
Energy: 0.35585526550972973
Energy: 0.3387670793753195
Energy: 0.37825993503667354
Energy: 0.3244696497999558
Energy: 0.3372212194413938
Energy: 0.37905944683544546
Energy: 0.37909295189304376
Energy: 0.3371989905511258
Energy: 0.38010923819746756
Energy: 0.3730977312122553
Energy: 0.42739718580297004
Energy: 0.35730418148606385
Energy: 0.3572501292638097
Energy: 0.4119308070041849
Energy: 0.33754600588203454
Energy: 0.37508159203324465
Energy: 0.409230234212225
Energy: 0.38726935223059494
Energy: 0.40326324721028606
Energy: 0.4072002431984597
Energy: 0.3215120658118296
Energy: 0.41192597469325887
Energy: 0.3510340993585569
Energy: 0.37198514346145056
Energy: 0.37202812690886894
Energy: 0.3510744311198022
Energy: 0.37343001183937374
Energy: 0.3849471204650558

minimum gb energy = 0.28991740580412656 eV
minimum distance =  2.63304695875156 Angstroms
sigma value = 67


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

Energy: 0.39944317959632764
Energy: 0.48881073142999776
Energy: 0.4463330732964365
Energy: 0.3955892296490707
Energy: 0.5333439650799943
Energy: 0.4467476373896879
Energy: 0.4352959520553484
Energy: 0.45680200239820884
Energy: 0.4534608935895191
Energy: 0.4577016121605759
Energy: 0.4553526292673231
Energy: 0.46448867426668644
Energy: 0.47497447972793055
Energy: 0.42443445665829577
Energy: 0.4647068595464421
Energy: 0.46013756998256483
Energy: 0.41735694625575626
Energy: 0.46411024449039356
Energy: 0.4581980838465332
Energy: 0.46881894601751345
Energy: 0.4631618438335455
Energy: 0.4584165086101636
Energy: 0.36322253333404947
Energy: 0.4642336490468194
Energy: 0.40759571015655144
Energy: 0.45692726989119
Energy: 0.46489287955144726
Energy: 0.40786076910580893
Energy: 0.4550328995727379
Energy: 0.4657335087789192
Energy: 0.39077387210943326
Energy: 0.4670647229394151
Energy: 0.43827990420097246
Energy: 0.4135163839717152
Energy: 0.46589151755716035
Energy: 0.389435957480656
Energy: 0.40743537886256226
Energy: 0.42035819440953054
Energy: 0.4219240539096471
Energy: 0.4074500217892699
Energy: 0.4179723234432492
Energy: 0.403203207957605
Energy: 0.4105030675497757
Energy: 0.39445994382768995
Energy: 0.35739815455477114
Energy: 0.411484535758858
Energy: 0.39050762970512287
Energy: 0.4213930186911616
Energy: 0.4452021110312331
Energy: 0.3636065928173122
Energy: 0.4490725979020183
Energy: 0.4455545035722675
Energy: 0.3621932039064137
Energy: 0.4493114648401599
Energy: 0.3401934408017609
Energy: 0.3648579411914759
Energy: 0.3618093715041833
Energy: 0.3402601075198661
Energy: 0.3641490379784346
Energy: 0.36156678373557966
Energy: 0.34057260790993477
Energy: 0.4293774053149822
Energy: 0.4267995585435408
Energy: 0.38959238488056863
Energy: 0.3633649997127298
Energy: 0.3401294358546961
Energy: 0.34404165760935573
Energy: 0.3600715246370643
Energy: 0.34068362294136467
Energy: 0.34470742058705367
Energy: 0.41085242171469344
Energy: 0.34066893925319686
Energy: 0.3438547115241403
Energy: 0.394131910956239
Energy: 0.3409132538122275
Energy: 0.34449692900874423
Energy: 0.3888252921133588
Energy: 0.34080234840975765
Energy: 0.44059532624842707
Energy: 0.34071794839443836
Energy: 0.3879344446826238
Energy: 0.38800946830460015
Energy: 0.34086776580278466
Energy: 0.38094307472047945
Energy: 0.3876416735385877
Energy: 0.34352747491051755
Energy: 0.3406081498411577
Energy: 0.3871515845016741
Energy: 0.3429967673849691
Energy: 0.34034636065400276
Energy: 0.43579471366406974
Energy: 0.39472911304762787
Energy: 0.42824120638601654
Energy: 0.3863460723633003
Energy: 0.3403685740685491
Energy: 0.42550968258080857
Energy: 0.36414307823030906
Energy: 0.38887215591725344
Energy: 0.35192733110889685
Energy: 0.36485968082658615
Energy: 0.3848423360007083
Energy: 0.362479959151455
Energy: 0.3625099239225216
Energy: 0.4414302982471349
Energy: 0.36149973776720423
Energy: 0.36236701255460535
Energy: 0.4391726337385512
Energy: 0.3620536978197802
Energy: 0.4297421160783857
Energy: 0.43322834757904377
Energy: 0.3859334511576848
Energy: 0.39485338702990636
Energy: 0.41034248807118734
Energy: 0.3742267681120132
Energy: 0.3620115072691715
Energy: 0.4106500513149518
Energy: 0.4204698940553006
Energy: 0.3619008764140354
Energy: 0.4097572238773677
Energy: 0.42183356935203414
Energy: 0.4757889283142353
Energy: 0.4320505936102203
Energy: 0.47886505721515016
Energy: 0.4694976355030208
Energy: 0.4029953467061872
Energy: 0.46561812237628303
Energy: 0.47502026435618466
Energy: 0.3945498990455518
Energy: 0.43120975234253495
Energy: 0.4595998219735215
Energy: 0.3986885343446007
Energy: 0.4668211024358781
Energy: 0.43535989671906755
Energy: 0.41011527871564946
Energy: 0.4075990880146492
Energy: 0.4356702640468801
Energy: 0.40981663767440313
Energy: 0.42126804062337

minimum gb energy = 0.3401294358546961 eV
minimum distance =  2.62520848778133 Angstroms
sigma value = 33


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

Energy: 0.4530886135498295
Energy: 0.5184000053566283
Energy: 0.5175329808596393
Energy: 0.38545878122338345
Energy: 0.4706825427625441
Energy: 0.45289936392397584
Energy: 0.44733639555179816
Energy: 0.47121305273707675
Energy: 0.47103392765170726
Energy: 0.4705747402450875
Energy: 0.47188884959514177
Energy: 0.45446803027888877
Energy: 0.49463290006164456
Energy: 0.4546945544940316
Energy: 0.45373599483833305
Energy: 0.4738534913767438
Energy: 0.4903576854873483
Energy: 0.4848760336435334
Energy: 0.4726367451088625
Energy: 0.4864576804328878
Energy: 0.452280031812767
Energy: 0.47358336498309733
Energy: 0.45607073415495913
Energy: 0.48627666648627854
Energy: 0.4153284444320271
Energy: 0.4714626420352413
Energy: 0.4709037953275149
Energy: 0.41553122717009233
Energy: 0.4717210653731741
Energy: 0.4525232428266344
Energy: 0.37220574592554867
Energy: 0.48373077066847
Energy: 0.45443031773053644
Energy: 0.40725971971613734
Energy: 0.4834389152678846
Energy: 0.3713580780361521
Energy: 0.4151587524677538
Energy: 0.45356207363928125
Energy: 0.4148995058226429
Energy: 0.4149813137904492
Energy: 0.48329227232659105
Energy: 0.39553698589842823
Energy: 0.41526664237122574
Energy: 0.3714275341114704
Energy: 0.37159855432180344
Energy: 0.41596871569064153
Energy: 0.4073970313654131
Energy: 0.4150696526598448
Energy: 0.46738177364808603
Energy: 0.4166577194947177
Energy: 0.42641006869180575
Energy: 0.4302668321644624
Energy: 0.3714929738647671
Energy: 0.46495729252055656
Energy: 0.4678945774618072
Energy: 0.37186246105729454
Energy: 0.3713945204807589
Energy: 0.42967478205838733
Energy: 0.37240267505007024
Energy: 0.37102531591650406
Energy: 0.4162788438914339
Energy: 0.3716023152078709
Energy: 0.4165290967154269
Energy: 0.3733299879521119
Energy: 0.37140970671356915
Energy: 0.3726541279286512
Energy: 0.374463476275876
Energy: 0.37606943114743396
Energy: 0.3718763493464584
Energy: 0.37520497305529477
Energy: 0.3812316610697991
Energy: 0.3718853860743974
Energy: 0.3713925696535556
Energy: 0.37136807960054374
Energy: 0.3711656384644125
Energy: 0.3715682874733925
Energy: 0.42966972384500396
Energy: 0.3714608912262322
Energy: 0.36023278587433333
Energy: 0.4416056235205749
Energy: 0.39641073658959286
Energy: 0.42609407908140395
Energy: 0.41580483131696055
Energy: 0.38444111158391214
Energy: 0.41886294354712666
Energy: 0.41550653545938765
Energy: 0.4152504442645585
Energy: 0.41876561328707607
Energy: 0.4163907172226932
Energy: 0.43195097443001584
Energy: 0.4830326620185979
Energy: 0.4219806565842825
Energy: 0.38205673456506095
Energy: 0.48915187024067197
Energy: 0.3815998361209145
Energy: 0.4872268207782642
Energy: 0.4931475031344224
Energy: 0.38261579000726814
Energy: 0.38133017874076547
Energy: 0.4936355342260686
Energy: 0.45000192090026736
Energy: 0.43704615377206335
Energy: 0.4849603159987639
Energy: 0.47082299055010046
Energy: 0.4710617068962221
Energy: 0.47155487500903825
Energy: 0.47253892954534116
Energy: 0.42784941161064377
Energy: 0.38124315756669364
Energy: 0.4723335305462522
Energy: 0.49004077162139514
Energy: 0.44931823497076934
Energy: 0.472895002448274
Energy: 0.4612581842195466
Energy: 0.4473723905640482
Energy: 0.4713141642908483
Energy: 0.47120925774707606
Energy: 0.4473392910094978
Energy: 0.4717586128653466
Energy: 0.45241021760863376
Energy: 0.4961024290421827
Energy: 0.48662236966597494
Energy: 0.4873410055085569
Energy: 0.47365406975909685
Energy: 0.454546791760864
Energy: 0.48561536315441395
Energy: 0.4744223925231786
Energy: 0.4867792024183285
Energy: 0.4542007020072594
Energy: 0.473615817180566
Energy: 0.4880297971709396
Energy: 0.48551636915976193
Energy: 0.4154437776774013
Energy: 0.47131799850470607
Energy: 0.4527350282901612
Energy: 0.4155754107875195
Energy: 0.4716641094660944
Energy: 0.48427821983730474
Energy: 0.37181926658309894
Energy: 0.484826143762343
Energy: 0.48379905570557125
Energy: 0.37143809092734686
Energy: 0.48440143612184966
Energy: 0.41843428988815445
Energy: 0.4151401281048809
Energy: 0.45190830956263034
Energy: 0.4532720423892914
Energy: 0.4151530873495405
Energy: 0.4830244550144518
Energy: 0.4153174977204261
Energy: 0.41595311630411963
Energy: 0.37134620754610187
Energy: 0.3979543199345884
Energy: 0.4156539944937851
Energy: 0.40703656361009893
Energy: 0.39542834441038294
Energy: 0.43887647765391813
Energy: 0.406828610147724
Energy: 0.37166082592200717
Energy: 0.43235503243055967
Energy: 0.4182740267713153
Energy: 0.4650420480115432
Energy: 0.4662212817824346
Energy: 0.3718946586818591
Energy: 0.3714169986044172
Energy: 0.42691914299466727
Energy: 0.3730368167946835
Energy: 0.3710251018031358
Energy: 0.4145652088386646
Energy: 0.3716841845428265
Energy: 0.371632956386583
Energy: 0.3732043788563006
Energy: 0.3714926724378419
Energy: 0.3963405359012528
Energy: 0.37134055436525537
Energy: 0.3760835777328402
Energy: 0.37183359365431395
Energy: 0.3713862423908725
Energy: 0.3815462899681716
Energy: 0.371895745471592
Energy: 0.37460205100094685
Energy: 0.3712795702106498
Energy: 0.3713213102064326
Energy: 0.3752853505902839
Energy: 0.42840540844165637
Energy: 0.37149872435836867
Energy: 0.36066571029392813
Energy: 0.4665606278501341
Energy: 0.46778465239530914
Energy: 0.42353250484459287
Energy: 0.41606783369155204
Energy: 0.4480181720662719
Energy: 0.3604520820504889
Energy: 0.4186803122806077
Energy: 0.4158758161244518
Energy: 0.40596137276881367
Energy: 0.4161450159540043
Energy: 0.3965767091986375
Energy: 0.4813372613445285
Energy: 0.3815336258840809
Energy: 0.40468944750111463
Energy: 0.48433053239895024
Energy: 0.3814052405986555
Energy: 0.402676095630902
Energy: 0.49277198447556997
Energy: 0.38205239766890486
Energy: 0.3811511426969953
Energy: 0.4934702818374195
Energy: 0.36204561578427735
Energy: 0.4288322713655588
Energy: 0.525527843216562
Energy: 0.4705861757378881
Energy: 0.47766937244283986
Energy: 0.47247492197992425
Energy: 0.4738703679109866
Energy: 0.42635551317884507
Energy: 0.38117438676729876
Energy: 0.47308367068359064
Energy: 0.4898172963922993
Energy: 0.4490357310544221
Energy: 0.47273400230920876
Energy: 0.42797987862168696

minimum gb energy = 0.36023278587433333 eV
minimum distance =  2.65912379200558 Angstroms
sigma value = 41


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

Energy: 0.6165954213702526
Energy: 0.5435181749389844
Energy: 0.5444757172713504
Energy: 0.41086768699225146
Energy: 0.6601888564555478
Energy: 0.5472768271381216
Energy: 0.4484818049174177
Energy: 0.48677284920357544
Energy: 0.4900603223884303
Energy: 0.4882166928810909
Energy: 0.4882254712639548
Energy: 0.42345684848792564
Energy: 0.5313188286809656
Energy: 0.4256808909429403
Energy: 0.4721016315250239
Energy: 0.48725341491581203
Energy: 0.48227000344204074
Energy: 0.48584758321389543
Energy: 0.485869870941209
Energy: 0.41422203073887814
Energy: 0.506692512874007
Energy: 0.48646346012669306
Energy: 0.42620285942554587
Energy: 0.4274974576004873
Energy: 0.42712432284100005
Energy: 0.4897358865327638
Energy: 0.48916464320940245
Energy: 0.4277867264193241
Energy: 0.4875038036691956
Energy: 0.47105837533966205
Energy: 0.514849312644239
Energy: 0.4937279692040819
Energy: 0.5117352942399764
Energy: 0.413210699902609
Energy: 0.49479256184975673
Energy: 0.4261550300100034
Energy: 0.42855463434857133
Energy: 0.47359719107879883
Energy: 0.41610192715629424
Energy: 0.4283910786139314
Energy: 0.4727304660619387
Energy: 0.41703366876493825
Energy: 0.4259531298520143
Energy: 0.4151358834215844
Energy: 0.4148691037095371
Energy: 0.4266624317534399
Energy: 0.4168780545103191
Energy: 0.4260900411220982
Energy: 0.49847136859988306
Energy: 0.4217632017922569
Energy: 0.4232894622325536
Energy: 0.4022381280471806
Energy: 0.46130048938067486
Energy: 0.45404731374734464
Energy: 0.4566750387961254
Energy: 0.4306044280067986
Energy: 0.4456372044183465
Energy: 0.4166565095388178
Energy: 0.4283413338702751
Energy: 0.4133987257998731
Energy: 0.5066384963790239
Energy: 0.42726264959258703
Energy: 0.4160136876890047
Energy: 0.47170447415520406
Energy: 0.40164064590261517
Energy: 0.5113753678161559
Energy: 0.5262750256866728
Energy: 0.4013022262472039
Energy: 0.43781831274009003
Energy: 0.5267851672720194
Energy: 0.40136261078822516
Energy: 0.47753595110430136
Energy: 0.5544646280643553
Energy: 0.5107627329868095
Energy: 0.421194944090914
Energy: 0.48902833297074805
Energy: 0.48993649630572905
Energy: 0.4209934475458088
Energy: 0.5279177290551474
Energy: 0.4864781357685998
Energy: 0.5123736347448269
Energy: 0.40441398913919274
Energy: 0.4861286834435954
Energy: 0.44806697270656004

minimum gb energy = 0.4013022262472039 eV
minimum distance =  2.69293340828618 Angstroms
sigma value = 11


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

Energy: 0.7417288651597856
Energy: 0.5587073275207957
Energy: 0.5403987746372269
Energy: 0.49130621806108843
Energy: 0.6131809620270171
Energy: 0.5299726886928409
Energy: 0.5791892562155236
Energy: 0.48884301198424013
Energy: 0.48671119005892677
Energy: 0.5123007103167446
Energy: 0.47880570443037185
Energy: 0.4935351708513729
Energy: 0.6164999617980158
Energy: 0.47901120524968555
Energy: 0.4789899659439837
Energy: 0.5976088474300275
Energy: 0.478492140162805
Energy: 0.4798964527145083
Energy: 0.5258003050044917
Energy: 0.4791331368455
Energy: 0.48057036703207623
Energy: 0.4864428400226319
Energy: 0.5117712731142142
Energy: 0.48706287188442343
Energy: 0.5110586034389774
Energy: 0.4786631853399455
Energy: 0.4953692908655022
Energy: 0.5039624083318776
Energy: 0.4801518574656703
Energy: 0.49032337647274976
Energy: 0.5651836513216374
Energy: 0.47537975137955574
Energy: 0.47580887730100796
Energy: 0.4910872081018114
Energy: 0.4751130414702705
Energy: 0.4769880276677233
Energy: 0.4757309982669795
Energy: 0.476882659055797
Energy: 0.4765281089539364
Energy: 0.4757983976772005
Energy: 0.47793623085383574
Energy: 0.47582010982185347
Energy: 0.4760020664577386
Energy: 0.49376443719712043
Energy: 0.4909773648733114
Energy: 0.47883673290368445
Energy: 0.515609460193354
Energy: 0.49003720581164883
Energy: 0.4807229631506791
Energy: 0.5045931458760712
Energy: 0.5196885525603654
Energy: 0.48989839657720274
Energy: 0.4894221599557805
Energy: 0.4647178759730044
Energy: 0.48091430134768093
Energy: 0.4886184199385043
Energy: 0.521355881621458
Energy: 0.4895640507666126
Energy: 0.5082060974843192
Energy: 0.46500831874993565
Energy: 0.4757136173823065
Energy: 0.49969150293681575
Energy: 0.4944863400566771
Energy: 0.47931194270798355
Energy: 0.4937467940248779
Energy: 0.49001260134241126
Energy: 0.5231292927879932
Energy: 0.4767692189106902
Energy: 0.5321400053309885
Energy: 0.5142075175657043
Energy: 0.4920148163855167
Energy: 0.5114315731157584
Energy: 0.47509797484420463
Energy: 0.5047596347876401
Energy: 0.5044798720942167
Energy: 0.47922058918321314
Energy: 0.5044513463286119
Energy: 0.4923025049620187
Energy: 0.4908998966362992
Energy: 0.5351493615188345
Energy: 0.5084491194455857
Energy: 0.49341734120008646
Energy: 0.5670343877894426
Energy: 0.47990310057282404
Energy: 0.4645969440671901
Energy: 0.4837946042815926
Energy: 0.47695492606515805
Energy: 0.47610838719315746
Energy: 0.4975371992943986
Energy: 0.5007095963791319
Energy: 0.4650390653252045
Energy: 0.4813624910754463
Energy: 0.47915980630869065
Energy: 0.4661925359768174
Energy: 0.4838804152041764
Energy: 0.4750523782915452
Energy: 0.46379249331375344
Energy: 0.4813870953127703
Energy: 0.48147834768438386
Energy: 0.468048073139881
Energy: 0.4989557215406414
Energy: 0.48084895301223285
Energy: 0.5943186593471023
Energy: 0.5115839070271263
Energy: 0.5018359930985804
Energy: 0.49170356970049844
Energy: 0.5137104310393109
Energy: 0.4883659676639611
Energy: 0.4917241345710913
Energy: 0.4827516016000456
Energy: 0.4832643370249391
Energy: 0.49499179109836394
Energy: 0.4918389493174816
Energy: 0.5023564138864467
Energy: 0.5650713023943503
Energy: 0.46295334148966255
Energy: 0.4641046877923103
Energy: 0.5150756050492451
Energy: 0.4912603098386493
Energy: 0.4818347176494868
Energy: 0.5119605635603639
Energy: 0.4637085697941267
Energy: 0.4920702346847811
Energy: 0.4900806850734065
Energy: 0.5032028314787986
Energy: 0.4914932093302076
Energy: 0.4852267763688173
Energy: 0.49047744999966164
Energy: 0.4985906499390732
Energy: 0.48273036685989307
Energy: 0.49009347682331506
Energy: 0.4973142819546895
Energy: 0.4744647450741959
Energy: 0.4916375075010006
Energy: 0.48565972271115626
Energy: 0.49077649780918386
Energy: 0.5157222092468473
Energy: 0.4783774802291918
Energy: 0.5448996125369794
Energy: 0.49677307236036544
Energy: 0.5000073386576053
Energy: 0.4960172864345506
Energy: 0.4983030140181758
Energy: 0.5018823503199293
Energy: 0.5115083274425628
Energy: 0.4955827069190093
Energy: 0.49099570746088517
Energy: 0.5124626645587198
Energy: 0.4845666953727577
Energy: 0.49117886895860696
Energy: 0.5323540521202222
Energy: 0.4688756508067236
Energy: 0.5019294897706874
Energy: 0.5001520558183752
Energy: 0.46815101845265333
Energy: 0.48122882286763013
Energy: 0.5292428908532403
Energy: 0.4637617158337026
Energy: 0.4640570374190044
Energy: 0.48323821517919935
Energy: 0.4666518529465236
Energy: 0.47629036452386714
Energy: 0.525241457774624
Energy: 0.4761925487080715
Energy: 0.5168092883334459
Energy: 0.5112682345055475
Energy: 0.4760087575340323
Energy: 0.4769374687273569
Energy: 0.5685856119370891
Energy: 0.4910954836590968
Energy: 0.499778437646541
Energy: 0.5694784586559666
Energy: 0.49097245038967546
Energy: 0.5037811122889692
Energy: 0.6164147290365128
Energy: 0.48679238942882613
Energy: 0.48740397702600385
Energy: 0.5107652001847951
Energy: 0.4842863615077143
Energy: 0.4933100864748621
Energy: 0.463449901836722
Energy: 0.5317931399883224
Energy: 0.5028373251161559
Energy: 0.49193061287509526
Energy: 0.5107866405292845
Energy: 0.5244383499149257

minimum gb energy = 0.46295334148966255 eV
minimum distance =  2.63655318518912 Angstroms
sigma value = 57


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

Energy: 0.6466386880760174
Energy: 0.557496853160553
Energy: 0.5583530972937444
Energy: 0.5578570126727058
Energy: 0.702032305433322
Energy: 0.5607882464417635
Energy: 0.459173986823156
Energy: 0.485824168773595
Energy: 0.47681016560379447
Energy: 0.4832171012430045
Energy: 0.48495291884278185
Energy: 0.479900877572297
Energy: 0.5063058094246726
Energy: 0.4776371096277408
Energy: 0.47540624304002094
Energy: 0.5071295226798823
Energy: 0.4726466930238353
Energy: 0.47695806067757857
Energy: 0.4769283443334164
Energy: 0.48130686404369066
Energy: 0.4756147118361094
Energy: 0.48193509348726604
Energy: 0.4823947087148676
Energy: 0.47526912710038993
Energy: 0.4819481615193977
Energy: 0.48461757278902723
Energy: 0.47691365462428975
Energy: 0.4836361617581081
Energy: 0.4840756236744309
Energy: 0.4750470812004303
Energy: 0.49915114383180526
Energy: 0.506547007223995
Energy: 0.5145545351666605
Energy: 0.484260851829045
Energy: 0.5052743547161143
Energy: 0.5328016213970784
Energy: 0.5086861202053742
Energy: 0.4993121416300979
Energy: 0.4907757293009609
Energy: 0.5064426801942902
Energy: 0.4943889823029132
Energy: 0.5140130858223647
Energy: 0.505978128611062
Energy: 0.48264028982443474
Energy: 0.4805718983518332
Energy: 0.48441029111201817
Energy: 0.4834376948532263
Energy: 0.47477625702281373
Energy: 0.45926502203426595
Energy: 0.47656744800125816
Energy: 0.46121728624956465
Energy: 0.4590444667688611
Energy: 0.5130095857520275
Energy: 0.46026056680017463
Energy: 0.4592308788450989
Energy: 0.47528776810704004
Energy: 0.4604458640010114
Energy: 0.45903100814011105
Energy: 0.5061782992085131
Energy: 0.4599152815092081
Energy: 0.5058421401539065
Energy: 0.48288948529656617
Energy: 0.48120731525610766
Energy: 0.4843601118824082
Energy: 0.47995906582668374
Energy: 0.4744713592110029
Energy: 0.5062967796433536
Energy: 0.5300972592763259
Energy: 0.5305885874613324
Energy: 0.5062625508049398
Energy: 0.530874959136518
Energy: 0.5162661323856379
Energy: 0.48281428786627895
Energy: 0.48489710938720393
Energy: 0.4782455048294067
Energy: 0.485118569279892
Energy: 0.4863726361791173
Energy: 0.48066576192977556
Energy: 0.49964915844714297
Energy: 0.513603683180152
Energy: 0.516640811962435
Energy: 0.4856053119781867
Energy: 0.5068952155085885
Energy: 0.5206974061129176
Energy: 0.5059527889576747
Energy: 0.4993735957079496
Energy: 0.4766363001770221
Energy: 0.49638924165963527
Energy: 0.49929574267534876
Energy: 0.474328897798314
Energy: 0.5062668219711592
Energy: 0.49935874927732926
Energy: 0.4600971853752406
Energy: 0.5076760259774391
Energy: 0.49908340987857297
Energy: 0.4765205412951118
Energy: 0.45899744172832907
Energy: 0.4800271846712338
Energy: 0.47870470056366987
Energy: 0.45933132406386573
Energy: 0.485144685088728
Energy: 0.4825668279993654

minimum gb energy = 0.45899744172832907 eV
minimum distance =  2.64531212797819 Angstroms
sigma value = 9


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

Energy: 0.8156395910682193
Energy: 0.5615405339961399
Energy: 0.5797780583123731
Energy: 0.5361606570275319
Energy: 0.7364723512125109
Energy: 0.5313677639905008
Energy: 0.5814519330008614
Energy: 0.5226558675143104
Energy: 0.520675370300245
Energy: 0.5160223342962345
Energy: 0.5211015155816415
Energy: 0.5187637451431286
Energy: 0.5672440187358269
Energy: 0.523809923206851
Energy: 0.5458463508213206
Energy: 0.5690956520250027
Energy: 0.5231888840773528
Energy: 0.5541446718157219
Energy: 0.5373503454709839
Energy: 0.528962731962651
Energy: 0.5285720238357268
Energy: 0.5397814630812839
Energy: 0.5304521959903261
Energy: 0.528748225634161
Energy: 0.5088087631192226
Energy: 0.516394448968389
Energy: 0.5194940100247688
Energy: 0.5117664130358909
Energy: 0.5204819176132862
Energy: 0.5141458989587564
Energy: 0.5242460612114778
Energy: 0.5173699936429356
Energy: 0.519053492701786
Energy: 0.517805026961917
Energy: 0.5244832663773193
Energy: 0.5189436258533519
Energy: 0.5775626021401802
Energy: 0.5550876228981403
Energy: 0.526228581682646
Energy: 0.5777435586933662
Energy: 0.5274733358298317
Energy: 0.5521596698512353
Energy: 0.5328399758180694
Energy: 0.5297565088132293
Energy: 0.5210635275286024
Energy: 0.5283015812629154
Energy: 0.5265400908727665
Energy: 0.5214958125266816
Energy: 0.5877437956428642
Energy: 0.5328089406176821
Energy: 0.5419078674392482
Energy: 0.5146992353607488
Energy: 0.5531106722471354
Energy: 0.528974145215027
Energy: 0.5881782146146496
Energy: 0.5215099278076706
Energy: 0.5201797858594283
Energy: 0.5151729265221979
Energy: 0.5275196456358945
Energy: 0.5155226345513454
Energy: 0.5329280071761074
Energy: 0.5211047733582155
Energy: 0.5194498423178371
Energy: 0.521711031716115
Energy: 0.5134963786265624
Energy: 0.520773414041007
Energy: 0.5327031979500727
Energy: 0.5137954179136418
Energy: 0.5171771686228802
Energy: 0.5334904288805554
Energy: 0.5112063520786183
Energy: 0.513003264432935
Energy: 0.5916511180582417
Energy: 0.5452512401011453
Energy: 0.5305032739395763
Energy: 0.528698931811881
Energy: 0.5461730891957195
Energy: 0.5176365895387396
Energy: 0.5971969481575621
Energy: 0.5281153494200114
Energy: 0.5285198367319142
Energy: 0.5198422781093325
Energy: 0.5214971875624375
Energy: 0.5277746142669688
Energy: 0.5397125017541031
Energy: 0.5115915098541319
Energy: 0.5145753167852916
Energy: 0.5398617386758777
Energy: 0.511332172745351
Energy: 0.5181645305450817
Energy: 0.5379971121107621
Energy: 0.5346881942661976
Energy: 0.5398547093981307
Energy: 0.5400760529388572
Energy: 0.5627185079638525
Energy: 0.5349173535844595
Energy: 0.5315033652437543
Energy: 0.5290103856804518
Energy: 0.5286937719151077
Energy: 0.5324625023522889
Energy: 0.5305902463899138
Energy: 0.529151925721061
Energy: 0.5505702322916536
Energy: 0.538360724529249
Energy: 0.5449282522264696
Energy: 0.5219902819164086
Energy: 0.546239525084727
Energy: 0.5408484435667741
Energy: 0.5571596820604209
Energy: 0.5175699448274601
Energy: 0.5194887158989681
Energy: 0.5599476412854928
Energy: 0.516768412499836
Energy: 0.5197889421613388
Energy: 0.5586943686246022
Energy: 0.5180281011656346
Energy: 0.5197570483627227
Energy: 0.540529596354227
Energy: 0.5170320045803265
Energy: 0.5213717028813386
Energy: 0.57232219070137
Energy: 0.5167558431469026
Energy: 0.521267368460682
Energy: 0.525643139136151
Energy: 0.5213120494169475
Energy: 0.5181082601580689

minimum gb energy = 0.5088087631192226 eV
minimum distance =  2.59889977877598 Angstroms
sigma value = 27


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

Energy: 0.7655753938909561
Energy: 0.4900915990654285
Energy: 0.5308698346826047
Energy: 0.4919846835720022
Energy: 0.7100571998903199
Energy: 0.49183303268061546
Energy: 0.5054391682807922
Energy: 0.5272975048033837
Energy: 0.5270562651317534
Energy: 0.4826769105872784
Energy: 0.5302981232454976
Energy: 0.49042350222120024
Energy: 0.564290198567014
Energy: 0.5180018153999144
Energy: 0.5163900656568529
Energy: 0.5145607928265067
Energy: 0.4711341032065869
Energy: 0.516540655663765
Energy: 0.49566011244193503
Energy: 0.4947625946263094
Energy: 0.4973173683489205
Energy: 0.4926139186503789
Energy: 0.4944394321348106
Energy: 0.49797292044335956
Energy: 0.47280721749726917
Energy: 0.5496302269854317
Energy: 0.47831214584043863
Energy: 0.47376717644868904
Energy: 0.5504249380527404
Energy: 0.47767426453561296
Energy: 0.4843982384232284
Energy: 0.4990640054135859
Energy: 0.4926628454194049
Energy: 0.4757958274461924
Energy: 0.5005518871304359
Energy: 0.4939215102159649
Energy: 0.5809250899857642
Energy: 0.5031782750079247
Energy: 0.5051939013648279
Energy: 0.5502892001656335
Energy: 0.49697811921128265
Energy: 0.5135509295898446
Energy: 0.5308772588848163
Energy: 0.4782317380956153
Energy: 0.4779425828269553
Energy: 0.5341432582118602
Energy: 0.4780603690082421
Energy: 0.47761067177672506
Energy: 0.5741479795820289
Energy: 0.4928159420227743
Energy: 0.49276156070232807
Energy: 0.475931255447086
Energy: 0.5092998263356535
Energy: 0.4903946019225924
Energy: 0.5729271670093066
Energy: 0.5002993421827537
Energy: 0.5016344800545476
Energy: 0.4760176669308008
Energy: 0.4998902999870269
Energy: 0.5065670856493106
Energy: 0.5620887319222789
Energy: 0.5024544604476796
Energy: 0.504507572362434
Energy: 0.4785340634226732
Energy: 0.47107314914507553
Energy: 0.5057038571396961
Energy: 0.5494734872159031
Energy: 0.4933624865251654
Energy: 0.499150537720233
Energy: 0.5468425165336694
Energy: 0.48719870216893296
Energy: 0.49894707220622636
Energy: 0.6373364354684151
Energy: 0.5179343136988244
Energy: 0.5165815763355293
Energy: 0.4975345932033209
Energy: 0.5244280269532912
Energy: 0.5166073068693611
Energy: 0.5479845829650745
Energy: 0.5067893249822856
Energy: 0.5032821863867546
Energy: 0.48902022946454576
Energy: 0.5068994063625631
Energy: 0.48905064196253945
Energy: 0.530451389963537
Energy: 0.48831650927279385
Energy: 0.48935018311649
Energy: 0.5312342815025974
Energy: 0.48908033389224687
Energy: 0.49324824334947986
Energy: 0.49512233760602564
Energy: 0.4929248313504461
Energy: 0.4960245350104314
Energy: 0.49469324407132365
Energy: 0.48876718983237705
Energy: 0.49212282276862257
Energy: 0.47708815312666025
Energy: 0.5069294992302827
Energy: 0.5301973848746236
Energy: 0.47112215396969187
Energy: 0.5071232785464265
Energy: 0.5079668172378906
Energy: 0.4852718666641792
Energy: 0.4770378350576604
Energy: 0.47803644504279685
Energy: 0.4772681021833083
Energy: 0.47710780617277326
Energy: 0.4778607683357696
Energy: 0.5725785404586036
Energy: 0.5058233807509568
Energy: 0.5100952439005526
Energy: 0.5710052688928583
Energy: 0.4985315262565179
Energy: 0.512034866902896
Energy: 0.5406224582716292
Energy: 0.5058392102704754
Energy: 0.5098707846526573
Energy: 0.5212055623536211
Energy: 0.4983736690317232
Energy: 0.5121938889402559
Energy: 0.5732299944164587
Energy: 0.4951163084450544
Energy: 0.4772757811925261
Energy: 0.4759724054491558
Energy: 0.4946936306797758
Energy: 0.4776987872671555
Energy: 0.470450666590601
Energy: 0.5089449974157261
Energy: 0.4967122067905466
Energy: 0.469193629647683
Energy: 0.5526745207758417
Energy: 0.4888749321112446
Energy: 0.5382702110737532
Energy: 0.5198586261789787
Energy: 0.5219573417980322
Energy: 0.49398958340390337
Energy: 0.4916950479654845
Energy: 0.5003439191053904
Energy: 0.5941558785458672
Energy: 0.48944828708250915
Energy: 0.48530251305838606
Energy: 0.528676366801482
Energy: 0.4872798247901347
Energy: 0.49290073314088273
Energy: 0.5438158474940729
Energy: 0.49798393123446805
Energy: 0.5032701778674761
Energy: 0.47093571988498534
Energy: 0.49743356616768464
Energy: 0.48786090521889747

minimum gb energy = 0.469193629647683 eV
minimum distance =  2.62504987418013 Angstroms
sigma value = 19


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

Energy: 0.530860656005531
Energy: 0.592472884591036
Energy: 0.4500047615686076
Energy: 0.4640051136162807
Energy: 0.4800396483037783
Energy: 0.4501593887416754
Energy: 0.5888107843172985
Energy: 0.5234809342641888
Energy: 0.46459610095618875
Energy: 0.46416466718205723
Energy: 0.47238753503300324
Energy: 0.47011431815737786
Energy: 0.5658717515341887
Energy: 0.4709666030907716
Energy: 0.470016299385191
Energy: 0.5404100671725643
Energy: 0.4661159915464976
Energy: 0.475303045532863
Energy: 0.5628684341804995
Energy: 0.4667727555628399
Energy: 0.4692033275148678
Energy: 0.5028073907396302
Energy: 0.46530848237586164
Energy: 0.46967015794563616
Energy: 0.4657323281277843
Energy: 0.5318554297777006
Energy: 0.47589043030168093
Energy: 0.46761865755780374
Energy: 0.5411016531000984
Energy: 0.4747545476866813
Energy: 0.480019535246027
Energy: 0.4712362752300434
Energy: 0.46391218276224444
Energy: 0.48147215473852634
Energy: 0.46480856942966864
Energy: 0.48742717526790547
Energy: 0.5576336099137066
Energy: 0.4579251679521981
Energy: 0.46279834016135635
Energy: 0.5763234285652851
Energy: 0.457338460556062
Energy: 0.46249210809091873
Energy: 0.45897592082829286
Energy: 0.4581323238296798
Energy: 0.4705771541006912
Energy: 0.45973260781187847
Energy: 0.45849812232474646
Energy: 0.4698933789186425
Energy: 0.4591389861120795
Energy: 0.4720672668331778
Energy: 0.47076075134533446
Energy: 0.46514667797424725
Energy: 0.4710711510201473
Energy: 0.4703708084946231
Energy: 0.4586174804586466
Energy: 0.49418476034145564
Energy: 0.47634161374160705
Energy: 0.4652705431022526
Energy: 0.49515897325101893
Energy: 0.4767789588816853
Energy: 0.5576709652571396
Energy: 0.45107180031300115
Energy: 0.45021100756839166
Energy: 0.5584536526380288
Energy: 0.4504937785952718
Energy: 0.4506197211203804
Energy: 0.5709769570537571
Energy: 0.4619444065652713
Energy: 0.45633796556855766
Energy: 0.4973355596930819
Energy: 0.46517599500558166
Energy: 0.45536672227861896
Energy: 0.48562386480072767
Energy: 0.4914252823865404
Energy: 0.5095089843828859
Energy: 0.45765353127811875
Energy: 0.4897276813417863
Energy: 0.4767452402036217
Energy: 0.5188984572989932
Energy: 0.45129146372076095
Energy: 0.4997479267990483
Energy: 0.4493884393815193
Energy: 0.47981638597849235
Energy: 0.4760199668347427
Energy: 0.5376740389864406
Energy: 0.4606429354223745
Energy: 0.4553743254546519
Energy: 0.4557328457540486
Energy: 0.4615460929889188
Energy: 0.4500902017951849
Energy: 0.5375811290703565
Energy: 0.46117592890852976
Energy: 0.45565834393359106
Energy: 0.4636405546321479
Energy: 0.46218797119327065
Energy: 0.4592004294198897
Energy: 0.4716734426830139
Energy: 0.5092519480947617
Energy: 0.47680627050397034
Energy: 0.45099398600904844
Energy: 0.5221422283378627
Energy: 0.4766048868937282
Energy: 0.5035988938258039
Energy: 0.48551902863281576
Energy: 0.4552103199114979
Energy: 0.44948666376247426
Energy: 0.5012238296410483
Energy: 0.4500473338732409
Energy: 0.5295955001695027
Energy: 0.46263117929537817
Energy: 0.49114141209526924
Energy: 0.5310528081241283
Energy: 0.4491857438820833
Energy: 0.5072473200629553
Energy: 0.5216997742043706
Energy: 0.4539338795843441
Energy: 0.4917992376636526
Energy: 0.5014413531839408
Energy: 0.44893268884471055
Energy: 0.4905082522195067
Energy: 0.4521455149971885
Energy: 0.4501198658307878
Energy: 0.45523220394743197
Energy: 0.4501587353003878
Energy: 0.4556392711477284
Energy: 0.45020371573057216
Energy: 0.4656344398438656
Energy: 0.4613216751433944
Energy: 0.4621080323819323
Energy: 0.4663831986468655
Energy: 0.45037686181942355
Energy: 0.4562299207828913
Energy: 0.4835652010117933
Energy: 0.46566406180056646
Energy: 0.4750231767281709
Energy: 0.4563713311878691
Energy: 0.46553335738298457
Energy: 0.4968553648720729
Energy: 0.4937363263021322
Energy: 0.44723311975986946
Energy: 0.4502416858919269
Energy: 0.48437994896306186
Energy: 0.44749515749613145
Energy: 0.5120193060514437
Energy: 0.4876241332828715
Energy: 0.5006466163343705
Energy: 0.4502308030700315
Energy: 0.46206325721061925
Energy: 0.5019904379222495
Energy: 0.4500408118629546
Energy: 0.4697555001778605
Energy: 0.4641407725721649
Energy: 0.4651001455242092
Energy: 0.46398176295020405
Energy: 0.5341017094528511
Energy: 0.47027815069044343
Energy: 0.5543439513983242
Energy: 0.4761657555675015
Energy: 0.47619663610621704
Energy: 0.4759395079046129
Energy: 0.4723586066057901
Energy: 0.4760855233577319
Energy: 0.549721081487787
Energy: 0.4699374417623159
Energy: 0.4706063000504929
Energy: 0.4707928464117443
Energy: 0.4698797364685621
Energy: 0.47099585031088503
Energy: 0.49971257968389493
Energy: 0.4879453562360742
Energy: 0.5153940667910338
Energy: 0.4458138558599859
Energy: 0.45981514486643776
Energy: 0.47746769130856326

minimum gb energy = 0.4458138558599859 eV
minimum distance =  2.61425289228577 Angstroms
sigma value = 101


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

Energy: 0.7049037664679639
Energy: 0.4458338351807268
Energy: 0.44612519207320156
Energy: 0.6357299504131144
Energy: 0.4476911797258038
Energy: 0.6355980157321697
Energy: 0.5398105025166935
Energy: 0.451084693574353
Energy: 0.4531729623689285
Energy: 0.44844520183050796
Energy: 0.4379858125071446
Energy: 0.4476789563978182
Energy: 0.5768822978757288
Energy: 0.4485021901187164
Energy: 0.4485424378397535
Energy: 0.537550749743161
Energy: 0.44837728645146374
Energy: 0.4483844163476569
Energy: 0.45907137410319765
Energy: 0.4483197305601144
Energy: 0.447679820231878
Energy: 0.44846084198709035
Energy: 0.44798430472266176
Energy: 0.4533678028108534
Energy: 0.44566228171071276
Energy: 0.5385243300238223
Energy: 0.4491023534234511
Energy: 0.448286725319394
Energy: 0.5401561122115195
Energy: 0.44683293477142844
Energy: 0.4724226264146146
Energy: 0.48907685961650427
Energy: 0.4533295905769161
Energy: 0.4718114292829526
Energy: 0.48900339120712255
Energy: 0.4473412844164385
Energy: 0.452326060054367
Energy: 0.4361669557116071
Energy: 0.44484509382066006
Energy: 0.4471049464799949
Energy: 0.43595288363061224
Energy: 0.44584621591436935
Energy: 0.4372782554493834
Energy: 0.4483929794396551
Energy: 0.4476535630488004
Energy: 0.43843931910869793
Energy: 0.4365264274837867
Energy: 0.446619910220158
Energy: 0.4387379078065309
Energy: 0.4456854384005294
Energy: 0.4478465088425266
Energy: 0.4400393818810198
Energy: 0.44669400278171
Energy: 0.447967680241957
Energy: 0.4375832670747422
Energy: 0.4386056561734542
Energy: 0.4388612018403919
Energy: 0.44710685748752704
Energy: 0.4809523585308096
Energy: 0.44615886444062053
Energy: 0.5638396870364993
Energy: 0.4257435664046484
Energy: 0.42617146873805367
Energy: 0.5397502679541831
Energy: 0.4257058776668909
Energy: 0.5207545382752226
Energy: 0.4998159127259665
Energy: 0.4478317953068761
Energy: 0.44738517115826426
Energy: 0.46323641203371185
Energy: 0.4489163865315033
Energy: 0.44490235577156934
Energy: 0.4545966976940587
Energy: 0.5472522688498075
Energy: 0.44727490874572723
Energy: 0.4372489015495217
Energy: 0.5276078817195925
Energy: 0.44740782181689387
Energy: 0.45404747570570986
Energy: 0.47458004593401915
Energy: 0.4672881343569854
Energy: 0.4452904483107035
Energy: 0.45441903640336584
Energy: 0.4479417946322704
Energy: 0.5528323114289312
Energy: 0.44980995561944653
Energy: 0.44803051727918775
Energy: 0.44418621456220686
Energy: 0.44690478496775343
Energy: 0.4475857252694964
Energy: 0.55288696576273
Energy: 0.4478802086132095
Energy: 0.4486845640709629
Energy: 0.4710302354720212
Energy: 0.4565172893977631
Energy: 0.44779230058034536
Energy: 0.7089493009477669
Energy: 0.4815655641866883
Energy: 0.46451416212726593
Energy: 0.4247043160212341
Energy: 0.4808016238121873
Energy: 0.42453048069679666
Energy: 0.5392776071283212
Energy: 0.43790510857366965
Energy: 0.44765180332771726
Energy: 0.4667738698135981
Energy: 0.43779160113660304
Energy: 0.44632956676604213
Energy: 0.5792912326695432
Energy: 0.44812837340818346
Energy: 0.44825888131904434
Energy: 0.5373823528576392
Energy: 0.448205888040606
Energy: 0.44801483383864477
Energy: 0.5051343374730891
Energy: 0.4484312646920652
Energy: 0.4483895249442781
Energy: 0.4473616415692166
Energy: 0.4478674346569562
Energy: 0.44786724036709835
Energy: 0.44739814482772317
Energy: 0.5037262422666912
Energy: 0.4483573653159684
Energy: 0.4478839786608599
Energy: 0.5383782643979307
Energy: 0.4465359810970374
Energy: 0.4723125374844094
Energy: 0.44684377146634896
Energy: 0.445831431253646
Energy: 0.47348381741452694
Energy: 0.44731273640818586
Energy: 0.4477946277017865
Energy: 0.45300094932546103
Energy: 0.4363186561555923
Energy: 0.4360116428147829
Energy: 0.4538903355811558
Energy: 0.43672938790304827
Energy: 0.4360645210766706
Energy: 0.43733511689493765
Energy: 0.45974356066780103
Energy: 0.4520611919550794
Energy: 0.43820960826838895
Energy: 0.4482080394904537
Energy: 0.46920771718564
Energy: 0.4411636538705152
Energy: 0.4386369893250133
Energy: 0.4469053609673588
Energy: 0.44798519869038156
Energy: 0.4465793593795598
Energy: 0.44800866259169986
Energy: 0.4383696246544502
Energy: 0.43877303778331594
Energy: 0.44407340798094025
Energy: 0.4393573181995435
Energy: 0.44794343027763106
Energy: 0.4479661468501055
Energy: 0.5379333727486181
Energy: 0.4256457499560912
Energy: 0.42569589669609054
Energy: 0.49689146475411433
Energy: 0.42591234953312823
Energy: 0.4261216289256214
Energy: 0.5274211554996648
Energy: 0.42614903061263976
Energy: 0.4262971009738606
Energy: 0.5280674859638097
Energy: 0.42598006907963815
Energy: 0.44713218973601765
Energy: 0.4555410658698542
Energy: 0.4530170412146456
Energy: 0.4606107241616159
Energy: 0.43568835265593814
Energy: 0.5278739850987267
Energy: 0.4603051357085672
Energy: 0.45556507431846904
Energy: 0.45318379055047026
Energy: 0.4724791101463059
Energy: 0.4357010810203925
Energy: 0.4769567566942942
Energy: 0.47219952947765
Energy: 0.5579579774638463
Energy: 0.44576390041167124
Energy: 0.4474115581333163
Energy: 0.44511637064038273
Energy: 0.44782450209534735
Energy: 0.4458327936980088
Energy: 0.5532034146823919
Energy: 0.44724412155319265
Energy: 0.4478165682851511
Energy: 0.446660880651936
Energy: 0.4474218299686373
Energy: 0.44733671849542284
Energy: 0.4610988204418564
Energy: 0.43807432516802247
Energy: 0.46897416278775433
Energy: 0.4246436020035473
Energy: 0.4385219506738548
Energy: 0.4695943942554339

minimum gb energy = 0.42453048069679666 eV
minimum distance =  2.62873537857625 Angstroms
sigma value = 33


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

Energy: 0.011681192508291123
Energy: 0.013070320848661233
Energy: 0.012058526654848307
Energy: 0.013057187701058843
Energy: 0.40657132931306933
Energy: 0.011947643992924525
Energy: 0.012142548838645736
Energy: 0.0631712766831606
Energy: 0.06230062885292602
Energy: 0.06173983591302767
Energy: 0.062159261606254006
Energy: 0.06190800922783339
Energy: 0.6820614153017637
Energy: 0.40765253426414205
Energy: 0.40603040352478414
Energy: 0.406242996847323
Energy: 0.40606906958987626
Energy: 0.40581471330514596
Energy: 0.01214254883899909
Energy: 0.0631712766831606
Energy: 0.06230062885292602
Energy: 0.06173983591302767
Energy: 0.062159261606254006
Energy: 0.06190800922783339

minimum gb energy = 0.011681192508291123 eV
minimum distance =  2.82842370732784 Angstroms
sigma value = 1