Model name: model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.071862576852536e-19, 1.5714837362224619e-19, 1.95896534862546e-19, 2.2773659111002796e-19, 2.54677191210738e-19, 2.77863891457986e-19, 2.9803849963331397e-19, 3.1571211008296797e-19, 3.31256427786036e-19, 3.4495664018336996e-19, 3.5703544982709598e-19, 3.67670698323588e-19, 3.7700818374653996e-19, 3.8516967152013603e-19, 3.92256098772318e-19, 3.98355585217956e-19, 4.03545035335482e-19, 4.07888536190256e-19, 4.1144376614110196e-19, 4.1426199484030796e-19, 4.1638968541025997e-19, 4.1786529009017397e-19, 4.18727261119266e-19, 4.1900924420684997e-19, 4.18708034999658e-19, 4.1773551378281996e-19, 4.15971517308786e-19, 4.1327986056366594e-19, 4.0949071282425596e-19, 4.0440700636457393e-19, 3.9778681251288596e-19, 3.8934173947507193e-19, 3.78724114921554e-19, 3.65499748984518e-19, 3.4914793425791397e-19, 3.2901177832180198e-19, 3.04280579799378e-19, 2.7393214999815e-19, 2.36662317138042e-19, 1.90808021872962e-19, 1.3420007725813738e-19, 6.39951004212084e-20, -2.36069511783462e-20, -1.337503462769736e-19, -2.7355884284242795e-19, -4.53202897929678e-19, -6.876125547203159e-19, -9.99187844734296e-19, -1.420118098725312e-18, -1.99530271468458e-18, -2.82090433418478e-18, -4.0761135963257396e-18, -6.0606176404971594e-18, -9.25542193575852e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0307342631051472 eV

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

Energy: 0.008137028889825327
Energy: 0.00870113439491076
Energy: 0.2004346564336407
Energy: 0.047121805082496734
Energy: 0.00870113439491076
Energy: 0.1838765660807709
Energy: 0.04712180508102094
Energy: 0.18387656608126285
Energy: 0.20043465643413266
Energy: 0.047121805080023046
Energy: 0.008137028889825327
Energy: 0.00870113439491076
Energy: 0.04712180508200481
Energy: 0.18387656608670214
Energy: 0.00870113439491076
Energy: 0.18387656608571828

minimum gb energy = 0.008137028889825327 eV
minimum distance =  2.75108392870833 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.5357233774094814
Energy: 0.4407896761692502
Energy: 0.4968219113901675
Energy: 0.48932963421853065
Energy: 0.4147104703082467
Energy: 0.47097726550833624
Energy: 0.4261586062178453
Energy: 0.47097726550894986
Energy: 0.48482396583834897
Energy: 0.4898546727544368
Energy: 0.5861975613285285
Energy: 0.4898546727544368
Energy: 0.427250780755643
Energy: 0.4263844397622543
Energy: 0.426219746093117
Energy: 0.426384439762868
Energy: 0.4572398744331533
Energy: 0.44922809023117116
Energy: 0.42808224913967324
Energy: 0.4492280902317848
Energy: 0.4204226358367218
Energy: 0.4456581884394065
Energy: 0.4266189230376156
Energy: 0.4456581884406339
Energy: 0.42133136479612193
Energy: 0.4433841619717902
Energy: 0.500667533980976
Energy: 0.4433841619717902
Energy: 0.4193365391377111
Energy: 0.4749605489604438
Energy: 0.45351563116978266
Energy: 0.4749605489616711
Energy: 0.4450767293334428
Energy: 0.424666743486652
Energy: 0.4429269949135181
Energy: 0.4246667434872657
Energy: 0.4787101430225807
Energy: 0.4603925301860423
Energy: 0.4317618405359995
Energy: 0.46039253018665593
Energy: 0.46198813323045407
Energy: 0.42481770769717875
Energy: 0.44500333670412984
Energy: 0.42481770769595145
Energy: 0.41871933715462706
Energy: 0.47479576260970013
Energy: 0.45389499938217537
Energy: 0.47479576260970013
Energy: 0.4232254553541431
Energy: 0.4437836168323257
Energy: 0.4151533693834881
Energy: 0.4437836168317121
Energy: 0.41955894343986716
Energy: 0.4246438461900939
Energy: 0.44720619002773143
Energy: 0.4246438461913212
Energy: 0.41513645722386017
Energy: 0.4269446823061858
Energy: 0.428459360696148
Energy: 0.4269446823055722
Energy: 0.43242897335773717
Energy: 0.42657856730396165
Energy: 0.42617967091359915
Energy: 0.42657856730334803
Energy: 0.48475483117329027
Energy: 0.48878352853334
Energy: 0.43659446228152915
Energy: 0.4887835285321127
Energy: 0.4263080274516952
Energy: 0.4271612265238811
Energy: 0.41487982908852733
Energy: 0.4271612265232675
Energy: 0.4261122588330843
Energy: 0.48919588052497
Energy: 0.4863800947336751
Energy: 0.48919588052497
Energy: 0.4194316727899548
Energy: 0.4730165126727993
Energy: 0.4272931182844184
Energy: 0.47301651267218564
Energy: 0.4267746535294244
Energy: 0.44986307913156526
Energy: 0.41923608978548277
Energy: 0.44986307913279255
Energy: 0.42647097039641496
Energy: 0.4265004973940632
Energy: 0.41908599271587593
Energy: 0.4265004973946769
Energy: 0.4992371134019555
Energy: 0.44259283773949093
Energy: 0.4210290796519712
Energy: 0.44259283774010455
Energy: 0.4533179737775618
Energy: 0.4223735714271532
Energy: 0.419573946079601
Energy: 0.4223735714271532
Energy: 0.44192538091393124
Energy: 0.4244396601331743
Energy: 0.4463843291496328
Energy: 0.4244396601331743
Energy: 0.43255256235163647
Energy: 0.42701201765524766
Energy: 0.47952928693364183
Energy: 0.4270120176558613
Energy: 0.4456209096350825
Energy: 0.42416187169647807
Energy: 0.45919617001777374
Energy: 0.4241618716970917
Energy: 0.4551123153168748
Energy: 0.4425374062536093
Energy: 0.41896455100021834
Energy: 0.4425374062536093
Energy: 0.41492334170009576
Energy: 0.42597223923872923
Energy: 0.4201932025697277
Energy: 0.42597223923872923
Energy: 0.44718043999352886
Energy: 0.42662447043812946
Energy: 0.4191456548316343
Energy: 0.4266244704362885
Energy: 0.4271168023477922
Energy: 0.42688342705809523
Energy: 0.41473845626625294
Energy: 0.42688342705686794
Energy: 0.4263561527075311
Energy: 0.4263234578721652
Energy: 0.4313462643356102
Energy: 0.4263234578727788
Energy: 0.43652371055943806
Energy: 0.4299884371549714
Energy: 0.4852402536017876
Energy: 0.4299884371549714

minimum gb energy = 0.4147104703082467 eV
minimum distance =  2.53910679490019 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.6208957612381234
Energy: 0.44812072027740746
Energy: 0.5102595724087002
Energy: 0.5078868299544615
Energy: 0.42550059417047026
Energy: 0.4813935961697342
Energy: 0.4356161153635048
Energy: 0.4813935961697342
Energy: 0.5009786284011417
Energy: 0.5069996868928028
Energy: 0.5688765043776921
Energy: 0.5069996868949018
Energy: 0.43727271129550116
Energy: 0.4355820298757079
Energy: 0.4354035739903584
Energy: 0.4355820298757079
Energy: 0.568303947578695
Energy: 0.46154474555402747
Energy: 0.43680048980273195
Energy: 0.4615447455547272
Energy: 0.43577102634920106
Energy: 0.43601582007805567
Energy: 0.4361405625709431
Energy: 0.43601582007805567
Energy: 0.43660143005250385
Energy: 0.44168702103916807
Energy: 0.4823890549438372
Energy: 0.44168702103916807
Energy: 0.44204955287571457
Energy: 0.47789674068469684
Energy: 0.495091986610873
Energy: 0.47789674068329757
Energy: 0.4769659395227546
Energy: 0.4441985758950262
Energy: 0.4450341451761586
Energy: 0.4441985758936269
Energy: 0.493604755446006
Energy: 0.450139451510058
Energy: 0.4422188305793654
Energy: 0.45013945151425605
Energy: 0.5078231692907766
Energy: 0.44105317634311364
Energy: 0.4367276215936071
Energy: 0.44105317634101465
Energy: 0.46214369247223386
Energy: 0.4408643239221343
Energy: 0.43576855713104024
Energy: 0.44086432392143465
Energy: 0.4365262077055175
Energy: 0.43606392822267354
Energy: 0.4257837819378432
Energy: 0.43606392822337325
Energy: 0.4356623817305793
Energy: 0.4361245622007945
Energy: 0.4455650412932111
Energy: 0.4361245622014941
Energy: 0.44421890474817194
Energy: 0.5074351791946191
Energy: 0.4999905272691734
Energy: 0.5074351792100117
Energy: 0.4257072499150892
Energy: 0.43627963403054326
Energy: 0.435452827747592
Energy: 0.4362796340298436
Energy: 0.4998162505433098
Energy: 0.5008854108630824
Energy: 0.43484807779041773
Energy: 0.5008854108630824
Energy: 0.43700010823860874
Energy: 0.48402475590992555
Energy: 0.43869993591863476
Energy: 0.48402475590782656
Energy: 0.4349404467132306
Energy: 0.44069525773008916
Energy: 0.43660904008995444
Energy: 0.44069525772729046
Energy: 0.43550107140138855
Energy: 0.4363457752251293
Energy: 0.4359326717836417
Energy: 0.43634577522303025
Energy: 0.43576764860549383
Energy: 0.45903384583258433
Energy: 0.47709047237398916
Energy: 0.459033845833284
Energy: 0.4384471082570165
Energy: 0.43890119757387475
Energy: 0.4741610819662893
Energy: 0.43890119757667345
Energy: 0.4777475511007178
Energy: 0.44436133224078
Energy: 0.44375070145062073
Energy: 0.44436133224147967
Energy: 0.49146189003870494
Energy: 0.44995080791447584
Energy: 0.4440362645708095
Energy: 0.4499508079137761
Energy: 0.42536752538070166
Energy: 0.44270676865782016
Energy: 0.43798218162602026
Energy: 0.44270676865782016
Energy: 0.4623144925543123
Energy: 0.4410600661990923
Energy: 0.4377000877252381
Energy: 0.4410600662004916
Energy: 0.4369038634408459
Energy: 0.4363046493982732
Energy: 0.4251918625842579
Energy: 0.4363046493982732
Energy: 0.43570892516198395
Energy: 0.43586955006840966
Energy: 0.4452116392059249
Energy: 0.43586955006701034
Energy: 0.44448763432049154
Energy: 0.43966109819203797
Energy: 0.4999591846418966
Energy: 0.439661098194137

minimum gb energy = 0.4251918625842579 eV
minimum distance =  2.53551388577331 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.5972237033739535
Energy: 0.45379466869532503
Energy: 0.5263941196901932
Energy: 0.5253810414782443
Energy: 0.43625682026409657
Energy: 0.48789708961450556
Energy: 0.4429879948027152
Energy: 0.48789708961450556
Energy: 0.5136713634132098
Energy: 0.5151420744276295
Energy: 0.4416916005281955
Energy: 0.5151420744268161
Energy: 0.44575350569239813
Energy: 0.4428170008295409
Energy: 0.44291715027718964
Energy: 0.44281700082872755
Energy: 0.4424648903182345
Energy: 0.4437756610660117
Energy: 0.44473997720922137
Energy: 0.44377566106682503
Energy: 0.4783574300731806
Energy: 0.442922353830648
Energy: 0.44253136006829746
Energy: 0.4429223538298346
Energy: 0.4581100971923857
Energy: 0.46038253033739757
Energy: 0.4596631114235475
Energy: 0.46038253033739757
Energy: 0.4461544191199705
Energy: 0.45893563078474814
Energy: 0.5140726623960551
Energy: 0.4589356307855615
Energy: 0.45998603321175424
Energy: 0.46036392802972514
Energy: 0.48091695476416835
Energy: 0.46036392802972514
Energy: 0.4783101769964075
Energy: 0.47162147333371357
Energy: 0.44315995464490004
Energy: 0.47162147333371357
Energy: 0.44809932787062445
Energy: 0.4436967180368434
Energy: 0.4454248528793857
Energy: 0.4436967180376568
Energy: 0.48056578407713607
Energy: 0.4438288757892547
Energy: 0.44253390551822847
Energy: 0.4438288757892547
Energy: 0.5143895634589849
Energy: 0.5254443510542215
Energy: 0.44757741107298543
Energy: 0.5254443510550347
Energy: 0.442835481278213
Energy: 0.443992756405298
Energy: 0.4360476050609064
Energy: 0.44399275640448466
Energy: 0.44204783427770344
Energy: 0.515582702874376
Energy: 0.5143925490666398
Energy: 0.515582702874376
Energy: 0.47788579534727743
Energy: 0.49028260858805656
Energy: 0.4453428083915214
Energy: 0.4902826085872432
Energy: 0.4440892377727727
Energy: 0.45211215466159405
Energy: 0.4429718490939061
Energy: 0.45211215466240745
Energy: 0.44314842988241837
Energy: 0.4430270516966367
Energy: 0.4787376528434455
Energy: 0.44302705169501
Energy: 0.462610177057058
Energy: 0.46122193642771564
Energy: 0.4572937325191255
Energy: 0.46122193642771564
Energy: 0.5153560725771915
Energy: 0.4592736470704938
Energy: 0.4477388152818087
Energy: 0.4592736470704938
Energy: 0.4767801932939219
Energy: 0.45948037341718057
Energy: 0.4607427564111346
Energy: 0.45948037341718057
Energy: 0.43657516891431397
Energy: 0.45980315734683325
Energy: 0.48040917077470907
Energy: 0.45980315734683325
Energy: 0.443101036491103
Energy: 0.4433762357529804
Energy: 0.44797600014247324
Energy: 0.44337623575379376
Energy: 0.44248600006156225
Energy: 0.4445273565807151
Energy: 0.48037737472867936
Energy: 0.4445273565815285
Energy: 0.4477347086324479
Energy: 0.4502120475983814
Energy: 0.5142393554191693
Energy: 0.4502120475983814

minimum gb energy = 0.4360476050609064 eV
minimum distance =  2.530601139537 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.6130936401644008
Energy: 0.4930276305800097
Energy: 0.5378858009813801
Energy: 0.5387438367388302
Energy: 0.45289744313105135
Energy: 0.49959917590623676
Energy: 0.4979963121379928
Energy: 0.49959917590817726
Energy: 0.5418057844009616
Energy: 0.5404474132477932
Energy: 0.7200520912376236
Energy: 0.5404474132477932
Energy: 0.46536307768005675
Energy: 0.5004397855694205
Energy: 0.47149575262795346
Energy: 0.5004397855703907
Energy: 0.4480357510605128
Energy: 0.4674972995941674
Energy: 0.4683447003154375
Energy: 0.4674972995941674
Energy: 0.5139719109968235
Energy: 0.4676394335589302
Energy: 0.46964609694802134
Energy: 0.46763943355795995
Energy: 0.47816278308162086
Energy: 0.4966014534103373
Energy: 0.525125045436876
Energy: 0.49660145341130746
Energy: 0.48298956793825104
Energy: 0.4935913633879816
Energy: 0.5293817088502716
Energy: 0.4935913633879816
Energy: 0.4923685428890835
Energy: 0.4974463848672041
Energy: 0.4557588637111941
Energy: 0.4974463848652636
Energy: 0.4911149192932766
Energy: 0.4811126127481199
Energy: 0.4557647854512121
Energy: 0.4811126127481199
Energy: 0.44191044213427566
Energy: 0.45585473795146814
Energy: 0.4566253934895477
Energy: 0.45585473795146814
Energy: 0.45218595297428754
Energy: 0.4427857627669374
Energy: 0.4547673536279456
Energy: 0.4427857627659672
Energy: 0.5686226953718985
Energy: 0.5669603006938438
Energy: 0.4612825591998207
Energy: 0.5669603006928736
Energy: 0.4550284651243109
Energy: 0.4983351941000108
Energy: 0.5005555373137544
Energy: 0.4983351941000108
Energy: 0.44774820436961
Energy: 0.4776175978052763
Energy: 0.46642261128969703
Energy: 0.4776175978062465
Energy: 0.5139251755981579
Energy: 0.47709665582019145
Energy: 0.4657595046960376
Energy: 0.4770966558221099
Energy: 0.4599569755728149
Energy: 0.499835892850625
Energy: 0.5253553565547644
Energy: 0.49983589284965485
Energy: 0.45996171857395
Energy: 0.5018361508399333
Energy: 0.5166561027466386
Energy: 0.5018361508399333
Energy: 0.4656656819788882
Energy: 0.46433596632604146
Energy: 0.4554964846461742
Energy: 0.46433596632604146
Energy: 0.46333206838089885
Energy: 0.4764854067518609
Energy: 0.4553599578847314
Energy: 0.4764854067518609
Energy: 0.4546720790906145
Energy: 0.4772467762077403
Energy: 0.5396486201827209
Energy: 0.4772467762057998

minimum gb energy = 0.44191044213427566 eV
minimum distance =  2.50213793748796 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5023351104284866
Energy: 0.4405545136222489
Energy: 0.5399015655016425
Energy: 0.5415653082739328
Energy: 0.42762106664247707
Energy: 0.45916667489669555
Energy: 0.43686157910648005
Energy: 0.45916667489669555
Energy: 0.5346153146863578
Energy: 0.5383293744287314
Energy: 0.42696263450076694
Energy: 0.5383293744287314
Energy: 0.4286173135672665
Energy: 0.4593075778986478
Energy: 0.43679010186843564
Energy: 0.4593075778986478
Energy: 0.463230319118172
Energy: 0.47173223056373426
Energy: 0.4380111028940581
Energy: 0.47173223056373426
Energy: 0.4286199275383248
Energy: 0.46926282592068724
Energy: 0.4361541134451527
Energy: 0.4692628259218872
Energy: 0.427509532640046
Energy: 0.4717340854526959
Energy: 0.46282440156790544
Energy: 0.471734085451496
Energy: 0.4276652232690584
Energy: 0.4591766281020919
Energy: 0.4363717709339667
Energy: 0.4591766281032919
Energy: 0.5364530367074192
Energy: 0.5357618651672772
Energy: 0.4276366044018054
Energy: 0.535761865169677
Energy: 0.4372196294318531
Energy: 0.46031564730442176
Energy: 0.42759889385067235
Energy: 0.46031564730442176
Energy: 0.4288688182648316
Energy: 0.5387130664898534
Energy: 0.5371838537513726
Energy: 0.5387130664898534
Energy: 0.4275898196190165
Energy: 0.4601205380111596
Energy: 0.5389904955450018
Energy: 0.4601205380111596
Energy: 0.4367092006558465
Energy: 0.47200401812173093
Energy: 0.46318051790606996
Energy: 0.47200401812173093
Energy: 0.43782242226719
Energy: 0.4737247793510623
Energy: 0.4291842308222687
Energy: 0.4737247793510623
Energy: 0.46558055540512233
Energy: 0.4727062914182982
Energy: 0.4276346965180064
Energy: 0.4727062914182982
Energy: 0.43590672556543164
Energy: 0.48679797686220055
Energy: 0.42771664243172913
Energy: 0.48679797686220055
Energy: 0.4280308204674188
Energy: 0.4783988670936698
Energy: 0.5358238111146203
Energy: 0.4783988670936698

minimum gb energy = 0.42696263450076694 eV
minimum distance =  2.54358023151648 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.7360735933412945
Energy: 0.5331067581554587
Energy: 0.6032974170446134
Energy: 0.5954789844084492
Energy: 0.4888638710836193
Energy: 0.46833635975508736
Energy: 0.5222987858395172
Energy: 0.46833635975440774
Energy: 0.48545147771713304
Energy: 0.4866522465929455
Energy: 0.6625316224460323
Energy: 0.4866522465943046
Energy: 0.46832855411732854
Energy: 0.4913868080397735
Energy: 0.4679897811144362
Energy: 0.49138680803909396
Energy: 0.4675826281724423
Energy: 0.505958439268391
Energy: 0.43671487430630823
Energy: 0.5059584392670319
Energy: 0.4678583846850069
Energy: 0.49685075679830737
Energy: 0.4673865991783934
Energy: 0.4968507567976278
Energy: 0.49601572169039015
Energy: 0.4858955614428039
Energy: 0.48998673651161
Energy: 0.48589556144212426
Energy: 0.4964391266100371
Energy: 0.4695623455019805
Energy: 0.4835959939096562
Energy: 0.46956234550130094
Energy: 0.5975432389041295
Energy: 0.5957578213266171
Energy: 0.49844799331381856
Energy: 0.5957578213259375
Energy: 0.5989030576253138
Energy: 0.4930811321694225
Energy: 0.5206225742426263
Energy: 0.4930811321680634
Energy: 0.4663836761249006
Energy: 0.4594091567766869
Energy: 0.44223218424623584
Energy: 0.45940915677736655
Energy: 0.49764523277716816
Energy: 0.4564138898636406
Energy: 0.4531931072955752
Energy: 0.4564138898636406
Energy: 0.4961717396745668
Energy: 0.4572136911439428
Energy: 0.4596148966680653
Energy: 0.4572136911439428
Energy: 0.4962703363501512
Energy: 0.46824115144956335
Energy: 0.4427838220492763
Energy: 0.468241151450243
Energy: 0.5959753054417677
Energy: 0.4977880831623726
Energy: 0.49556881843500156
Energy: 0.4977880831623726
Energy: 0.5998777428963484
Energy: 0.5114534029666609
Energy: 0.4958231274642155
Energy: 0.5114534029666609
Energy: 0.4971535879528051
Energy: 0.46872495755417604
Energy: 0.4844680837625278
Energy: 0.46872495755417604
Energy: 0.4974390136403352
Energy: 0.46879166687667356
Energy: 0.48746334798840835
Energy: 0.46879166687667356
Energy: 0.46974790031757474
Energy: 0.5129452924060791
Energy: 0.4671861998843769
Energy: 0.5129452924067587
Energy: 0.48074390784377896
Energy: 0.5062479260551598
Energy: 0.4674149839299363
Energy: 0.5062479260551598
Energy: 0.46856801588445457
Energy: 0.4682626847782122
Energy: 0.4962776811793128
Energy: 0.46826268477889177
Energy: 0.4845910177547065
Energy: 0.4840113977141
Energy: 0.5875872057813363
Energy: 0.4840113977141
Energy: 0.4685641271781536
Energy: 0.4924967468127226
Energy: 0.5956610637764905
Energy: 0.49249674681204303
Energy: 0.49670784001401763
Energy: 0.5990193061867364
Energy: 0.5955969551440298
Energy: 0.5990193061874158
Energy: 0.4446645173520813
Energy: 0.46990403217111376
Energy: 0.49779143830980016
Energy: 0.4699040321704342
Energy: 0.45555380380279964
Energy: 0.4574895532184277
Energy: 0.4667564495751447
Energy: 0.45748955322114593
Energy: 0.4420635718691781
Energy: 0.4445109856614753
Energy: 0.49798692033070746
Energy: 0.4445109856614753
Energy: 0.44447799870040594
Energy: 0.457825736463463
Energy: 0.4962901737823202
Energy: 0.45782573646278335
Energy: 0.4542924374284211
Energy: 0.46834613777284095
Energy: 0.49621047454196826
Energy: 0.4683461377721614
Energy: 0.4955026961967664
Energy: 0.595018179619636
Energy: 0.5956377633587041
Energy: 0.595018179619636

minimum gb energy = 0.43671487430630823 eV
minimum distance =  2.55765553438445 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.6684615612590438
Energy: 0.3939768369850023
Energy: 0.5267485182722337
Energy: 0.5278181529904932
Energy: 0.6095234730352621
Energy: 0.42364426012856
Energy: 0.4878968968594685
Energy: 0.42364426012856
Energy: 0.5242942216302519
Energy: 0.5220321182366885
Energy: 0.49153533096562047
Energy: 0.5220321182717297
Energy: 0.4889737528397086
Energy: 0.4239943085910289
Energy: 0.49091361031658715
Energy: 0.4239943085913311
Energy: 0.4896646270787072
Energy: 0.42941977662854225
Energy: 0.3933144135982546
Energy: 0.42941977662932446
Energy: 0.48787263473275383
Energy: 0.42519083895090826
Energy: 0.39332013993195414
Energy: 0.42519083895106824
Energy: 0.578586926268779
Energy: 0.5196949795812146
Energy: 0.522082114028722
Energy: 0.5196949795818369
Energy: 0.5786426773050629
Energy: 0.42462966903017035
Energy: 0.5185857251864577
Energy: 0.42462966902970817
Energy: 0.5205995769908606
Energy: 0.5208221236002321
Energy: 0.48691817638237855
Energy: 0.5208221236016365
Energy: 0.5173585504248803
Energy: 0.42416519664115926
Energy: 0.4883876859316949
Energy: 0.42416519664256375
Energy: 0.48905438823397873
Energy: 0.42553465617876013
Energy: 0.3939490170585933
Energy: 0.4255346561800224
Energy: 0.48970007550798594
Energy: 0.424099497151816
Energy: 0.394249773435533
Energy: 0.4240994971514959
Energy: 0.5786103981795662
Energy: 0.42483058922923755
Energy: 0.5191322897119177
Energy: 0.4248305892265708

minimum gb energy = 0.3933144135982546 eV
minimum distance =  2.60816086331873 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.663426633687174
Energy: 0.5572953405242715
Energy: 0.6227508752206368
Energy: 0.6223641810666621
Energy: 0.5483063386375798
Energy: 0.45640496660257124
Energy: 0.6040390881024704
Energy: 0.45640496660370294
Energy: 0.4625650305346245
Energy: 0.4607703222756401
Energy: 0.602963398479359
Energy: 0.4607703222756401
Energy: 0.45549615669851046
Energy: 0.45522650157476674
Energy: 0.6317973712850544
Energy: 0.45522650157476674
Energy: 0.46005811941608143
Energy: 0.456293464107931
Energy: 0.6271042509333679
Energy: 0.4562934641090891
Energy: 0.4721842179879457
Energy: 0.4564889996616786
Energy: 0.631486663506787
Energy: 0.4564889996634157
Energy: 0.6264298172115275
Energy: 0.5971980125233942
Energy: 0.6140703783283152
Energy: 0.5971980125233942
Energy: 0.5951744059549845
Energy: 0.455999462775214
Energy: 0.6025677906067329
Energy: 0.4559994627757932
Energy: 0.499548632275414
Energy: 0.5120488241739737
Energy: 0.4988753014900398
Energy: 0.5120488241745527
Energy: 0.45513937377950975
Energy: 0.5055017393189342
Energy: 0.5838404945376813
Energy: 0.5055017393189342
Energy: 0.5070028518830625
Energy: 0.4815215025739465
Energy: 0.5631466148509577
Energy: 0.48152150257336745
Energy: 0.5061444698242645
Energy: 0.5031671037013296
Energy: 0.6549248651802296
Energy: 0.5031671036995924
Energy: 0.6273437916306953
Energy: 0.4809553908008869
Energy: 0.5029877356134054
Energy: 0.4809553908008869
Energy: 0.6266006739855482
Energy: 0.5085152314793205
Energy: 0.5099594388100546
Energy: 0.5085152314798996
Energy: 0.5844005029197249
Energy: 0.4829136468972367
Energy: 0.49636842408549603
Energy: 0.4829136468983949
Energy: 0.5429629414813866
Energy: 0.5028796789406133
Energy: 0.4963364078804673
Energy: 0.5028796789406133
Energy: 0.5921650644156141
Energy: 0.4562222040524082
Energy: 0.5041264467771917
Energy: 0.45622220405298736
Energy: 0.596882370302251
Energy: 0.6040853160312024
Energy: 0.6620402987824916
Energy: 0.6040853160317814
Energy: 0.6131585805514099
Energy: 0.4564898187615454
Energy: 0.5074181574090565
Energy: 0.45648981876096634
Energy: 0.6063077421452212
Energy: 0.46043794115792885
Energy: 0.4639952230178982
Energy: 0.4604379411590869
Energy: 0.6312939311332258
Energy: 0.4558838385054242
Energy: 0.4563156336914868
Energy: 0.45588383850658226
Energy: 0.6315121648377418
Energy: 0.4563245777439993
Energy: 0.4607060853875489
Energy: 0.4563245777439993
Energy: 0.6270266106466524
Energy: 0.4891744635211276
Energy: 0.4577847369266199
Energy: 0.4891744635228648
Energy: 0.6087484979788129
Energy: 0.5802028094657057
Energy: 0.6275875394683842
Energy: 0.580202809468022
Energy: 0.6040729087734878
Energy: 0.4554799229391218
Energy: 0.5949812976134928
Energy: 0.45547992293970097
Energy: 0.49751677291286633
Energy: 0.5179623813366604
Energy: 0.5005732005249424
Energy: 0.5179623813372395
Energy: 0.5845006825028956
Energy: 0.5055418801339702
Energy: 0.457455265172835
Energy: 0.5055418801333912
Energy: 0.5998539776501421
Energy: 0.4816996415727838
Energy: 0.5047324758178443
Energy: 0.48169964157220463
Energy: 0.6590143018607865
Energy: 0.5083666492959706
Energy: 0.5076856552169652
Energy: 0.5083666492948125
Energy: 0.507115902865998
Energy: 0.48134676568548895
Energy: 0.6275765743010827
Energy: 0.4813467656843308
Energy: 0.5114805600418327
Energy: 0.5081228780125879
Energy: 0.5832351343913967
Energy: 0.508122878014904
Energy: 0.49666815618150867
Energy: 0.48264530991879945
Energy: 0.5852198163869736
Energy: 0.48264530991879945
Energy: 0.49701645279264905
Energy: 0.5072409047892955
Energy: 0.5413772148472729
Energy: 0.5072409047892955
Energy: 0.5036811341719333
Energy: 0.4562473537101681
Energy: 0.5372527027205034
Energy: 0.4562473537101681
Energy: 0.6272042023398988
Energy: 0.5980705757011717
Energy: 0.6107510346160114
Energy: 0.5980705757023299

minimum gb energy = 0.45513937377950975 eV
minimum distance =  2.52371496110612 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.7305665230784341
Energy: 0.5331594063724071
Energy: 0.5930720865884821
Energy: 0.5927891269996916
Energy: 0.5050559989513868
Energy: 0.4714657430492281
Energy: 0.5577148859410767
Energy: 0.4714657430492281
Energy: 0.4819208459193906
Energy: 0.4806671329618083
Energy: 0.5776336540880618
Energy: 0.48066713296088953
Energy: 0.47332808035382623
Energy: 0.4751337540219178
Energy: 0.6327046687061478
Energy: 0.475133754020999
Energy: 0.4821060036336708
Energy: 0.4730934116434841
Energy: 0.6270736358654573
Energy: 0.47309341164532154
Energy: 0.5252398994787348
Energy: 0.4734251856208151
Energy: 0.627841654435805
Energy: 0.4734251856217338
Energy: 0.625371141170069
Energy: 0.5984494367830082
Energy: 0.6021287145436618
Energy: 0.5984494367830082
Energy: 0.5490457041641732
Energy: 0.47444883306187596
Energy: 0.5819569297951755
Energy: 0.47444883306187596
Energy: 0.5141984142427689
Energy: 0.45725466520500124
Energy: 0.5747612225616049
Energy: 0.45725466520591995
Energy: 0.501070515370341
Energy: 0.46382061854182155
Energy: 0.5752450094470997
Energy: 0.46382061854274026
Energy: 0.5056783624601794
Energy: 0.4902084518371143
Energy: 0.5810605281932129
Energy: 0.49020845183619566
Energy: 0.4907045092035579
Energy: 0.49152171961804664
Energy: 0.622913597660497
Energy: 0.49152171961804664
Energy: 0.5774675239233721
Energy: 0.49004268864932204
Energy: 0.4978690348119177
Energy: 0.4900426886474847
Energy: 0.5797907808939826
Energy: 0.5067109678331349
Energy: 0.5141215852470765
Energy: 0.5067109678331349
Energy: 0.5846048874050589
Energy: 0.4970806608708169
Energy: 0.49592824558420245
Energy: 0.4970806608726335
Energy: 0.6267804636982238
Energy: 0.5020277859580315
Energy: 0.5017456409092522
Energy: 0.5020277859589504
Energy: 0.6270773818734767
Energy: 0.5005899437181232
Energy: 0.5017299626213745
Energy: 0.5005899437181232
Energy: 0.5882406895373475
Energy: 0.5831704960347741
Energy: 0.6254673911897688
Energy: 0.5831704960347741
Energy: 0.5554500516428051
Energy: 0.5009419130738327
Energy: 0.5485082904160721
Energy: 0.5009419130719953
Energy: 0.5589976346244444
Energy: 0.5023213340408843
Energy: 0.5475498353563906
Energy: 0.502321334041803
Energy: 0.5557961768949369
Energy: 0.49309167757674266
Energy: 0.49905211486212114
Energy: 0.4930916775776613
Energy: 0.5799185408360987
Energy: 0.4759930237728659
Energy: 0.5624298237765163
Energy: 0.4759930237719472

minimum gb energy = 0.45725466520500124 eV
minimum distance =  2.51882001730158 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.8916772151110135
Energy: 0.5138812466992168
Energy: 0.5429762000401621
Energy: 0.5499048411202136
Energy: 0.5357963535019675
Energy: 0.49772871296774857
Energy: 0.6148722707945968
Energy: 0.4977287129709967
Energy: 0.48381308147970997
Energy: 0.4931673565324653
Energy: 0.5439890342657779
Energy: 0.493167356527918
Energy: 0.4760777884237354
Energy: 0.49162445352155637
Energy: 0.6147155930982238
Energy: 0.49162445352480444
Energy: 0.49304161211523795
Energy: 0.4907607520581126
Energy: 0.6004618639527772
Energy: 0.4907607520535652
Energy: 0.4777862382102068
Energy: 0.5045365290754623
Energy: 0.6002122216885156
Energy: 0.5045365290728638
Energy: 0.6128353190054591
Energy: 0.5242263132239494
Energy: 0.476045838298094
Energy: 0.5242263132213512
Energy: 0.6147243977302373
Energy: 0.5032473725055197
Energy: 0.49557656424599084
Energy: 0.5032473725022716
Energy: 0.615074945163139
Energy: 0.4867167052594155
Energy: 0.47898509344673884
Energy: 0.4867167052561674
Energy: 0.6055493358917425
Energy: 0.49273787249294493
Energy: 0.4786480888269562
Energy: 0.49273787249164563
Energy: 0.5506277113934546
Energy: 0.4763093216910612
Energy: 0.6138840106660919
Energy: 0.47630932168781315
Energy: 0.543561580471992
Energy: 0.5577161402631637
Energy: 0.6138754380472823
Energy: 0.5577161402579668
Energy: 0.5451070271708747
Energy: 0.4985197611856167
Energy: 0.5430988526928797
Energy: 0.4985197611830182
Energy: 0.5430370091256222
Energy: 0.5137934483177464
Energy: 0.48197375687310307
Energy: 0.5137934483222938
Energy: 0.5433749547352977
Energy: 0.4757740295369736
Energy: 0.4853031972811704
Energy: 0.475774029536324
Energy: 0.618521189250509
Energy: 0.5585081044890302
Energy: 0.5488993930799336
Energy: 0.5585081044890302
Energy: 0.6252091823613161
Energy: 0.4974812468385515
Energy: 0.5507100314524446
Energy: 0.4974812468392011
Energy: 0.47865550324995215
Energy: 0.4929684181461859
Energy: 0.5449873363006689
Energy: 0.4929684181435874
Energy: 0.4760038978252126
Energy: 0.4866956404570361
Energy: 0.6135737903712611
Energy: 0.4866956404557368
Energy: 0.49018151342838634
Energy: 0.5031068805039487
Energy: 0.619415548124398
Energy: 0.5031068805091455
Energy: 0.4760365033358722
Energy: 0.5244416960527548
Energy: 0.6014295347116971
Energy: 0.524441696056003
Energy: 0.6146666327733948
Energy: 0.5046280526420382
Energy: 0.47781629680373194
Energy: 0.504628052642688
Energy: 0.6147789442716645
Energy: 0.4924358379799686
Energy: 0.49351810678646635
Energy: 0.49243583797672047
Energy: 0.6161422486905008
Energy: 0.4922229559576922
Energy: 0.47577387949964906
Energy: 0.49222295595574334
Energy: 0.6040668582150507
Energy: 0.49453468445654125
Energy: 0.48383373254584644
Energy: 0.4945346844532931
Energy: 0.6035770742662314
Energy: 0.4980697938421747
Energy: 0.47631949249761535
Energy: 0.4980697938467221
Energy: 0.597844398831952
Energy: 0.5521596933507424
Energy: 0.7482263440110076
Energy: 0.5521596933520417
Energy: 0.5496833123257492
Energy: 0.4981852165480102
Energy: 0.47600585350514607
Energy: 0.4981852165525576
Energy: 0.5446410624210014
Energy: 0.5066137613387632
Energy: 0.544886120531057
Energy: 0.5066137613361646
Energy: 0.5435273577505723
Energy: 0.49352228662175673
Energy: 0.481860869642464
Energy: 0.4935222866243552
Energy: 0.618521614111142
Energy: 0.5010401135005991
Energy: 0.5435600489987862
Energy: 0.5010401134967013

minimum gb energy = 0.47577387949964906 eV
minimum distance =  2.52722944128548 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.4575443973230712
Energy: 0.4497056170174374
Energy: 0.53461233472091
Energy: 0.46343842750659525
Energy: 0.45696858606501084
Energy: 0.4527937661880467
Energy: 0.48936356698414285
Energy: 0.4527937661880467
Energy: 0.4644014199929717
Energy: 0.46768686166700646
Energy: 0.46119722843350275
Energy: 0.46768686166678014
Energy: 0.46743429759705135
Energy: 0.4481438688946475
Energy: 0.4629828062939743
Energy: 0.4481438688948738
Energy: 0.4649440711438218
Energy: 0.4543499209184275
Energy: 0.4579779571569975
Energy: 0.4543499209166676
Energy: 0.49053336807961173
Energy: 0.4563888266499564
Energy: 0.4591174951699077
Energy: 0.456388826650409
Energy: 0.45604855688223905
Energy: 0.44822518241022274
Energy: 0.4619424937333114
Energy: 0.4482251824091164
Energy: 0.4895353888545393
Energy: 0.45331279567126676
Energy: 0.4663138033601356
Energy: 0.45331279567106564
Energy: 0.45709920444011093
Energy: 0.4525987273928402
Energy: 0.46413180017009115
Energy: 0.4525987273928402

minimum gb energy = 0.4481438688946475 eV
minimum distance =  2.66255672772793 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.6912367530730629
Energy: 0.4559939759459629
Energy: 0.5598111684979493
Energy: 0.5569903733024889
Energy: 0.47322307741600306
Energy: 0.4705819410399205
Energy: 0.5686824303429509
Energy: 0.4705819410405342
Energy: 0.5691564837671752
Energy: 0.5119888786891654
Energy: 0.5687144923848675
Energy: 0.5119888786891654
Energy: 0.4888795870358274
Energy: 0.47056702838355635
Energy: 0.5988895247737726
Energy: 0.47056702838417
Energy: 0.5005054692252612
Energy: 0.494633260755811
Energy: 0.5805068769629445
Energy: 0.49463326075642466
Energy: 0.4877467756140251
Energy: 0.4810256532871465
Energy: 0.5802915595208573
Energy: 0.4810256532865329
Energy: 0.46968897312986413
Energy: 0.46958427423011717
Energy: 0.5990091873099189
Energy: 0.46958427423011717
Energy: 0.46968357785868836
Energy: 0.48768661905344196
Energy: 0.6404350768226164
Energy: 0.48768661905344196
Energy: 0.496276033478189
Energy: 0.48539980713746345
Energy: 0.640651631411264
Energy: 0.48539980713991804
Energy: 0.5876153065643706
Energy: 0.4496646841010387
Energy: 0.4506313536000159
Energy: 0.4496646840991978
Energy: 0.5380412801662602
Energy: 0.4502436852977163
Energy: 0.4525196826730333
Energy: 0.45024368529894354
Energy: 0.6415681972806487
Energy: 0.44973303060835473
Energy: 0.46098889347205496
Energy: 0.4497330306089684
Energy: 0.6452961275333836
Energy: 0.44966689410241223
Energy: 0.5098719860361258
Energy: 0.44966689410241223
Energy: 0.5579281762347029
Energy: 0.4779678012564048
Energy: 0.5670622924194938
Energy: 0.4779678012576322
Energy: 0.47098013259465316
Energy: 0.4781126762162505
Energy: 0.567384326709976
Energy: 0.4781126762162505
Energy: 0.47187665139031226
Energy: 0.46911209203400495
Energy: 0.45940953978561405
Energy: 0.46911209203400495
Energy: 0.4749473314247942
Energy: 0.47496338292019064
Energy: 0.5206254226298659
Energy: 0.47496338292141793
Energy: 0.5812441497944922
Energy: 0.47042627296581446
Energy: 0.47218986988403555
Energy: 0.4704262729664281
Energy: 0.5703351517422385
Energy: 0.47023315279294764
Energy: 0.5707949946057639
Energy: 0.47023315279233396
Energy: 0.5841869488658419
Energy: 0.46981634003610373
Energy: 0.48750960051263187
Energy: 0.46981634003426276
Energy: 0.579974475184968
Energy: 0.46954728794569617
Energy: 0.5855295510306774
Energy: 0.46954728794446887
Energy: 0.5809315461658042
Energy: 0.48432123369966856
Energy: 0.47558770601177314
Energy: 0.48432123369905494
Energy: 0.6035042645486823
Energy: 0.4700505710535434
Energy: 0.4702544069897683
Energy: 0.4700505710529298
Energy: 0.6463653190309454
Energy: 0.4777853521655356
Energy: 0.47487103111040185
Energy: 0.4777853521649219
Energy: 0.6423015920896264
Energy: 0.47889546106441894
Energy: 0.49805642526520755
Energy: 0.4788954610638053
Energy: 0.46420475062300853
Energy: 0.44965244483447114
Energy: 0.5882801081787485
Energy: 0.44965244483324385
Energy: 0.4526635167682478
Energy: 0.44985220123415276
Energy: 0.5348389526129715
Energy: 0.44985220123415276
Energy: 0.46305826208615614
Energy: 0.44975425683650927
Energy: 0.5197842773101333
Energy: 0.44975425683589565
Energy: 0.5077250132632604
Energy: 0.5022955380841561
Energy: 0.639821181371163
Energy: 0.5022955380829288
Energy: 0.5681230279175458
Energy: 0.4771442289847712
Energy: 0.5582747244181774
Energy: 0.4771442289847712
Energy: 0.5680767994988454
Energy: 0.4770699929454373
Energy: 0.47182954294252893
Energy: 0.4770699929448236
Energy: 0.6003068575748677
Energy: 0.4691152779245676
Energy: 0.4720971223257796
Energy: 0.4691152779233403
Energy: 0.5195176633978684
Energy: 0.4698105590653877
Energy: 0.47439056773413085
Energy: 0.4698105590653877

minimum gb energy = 0.44965244483324385 eV
minimum distance =  2.52763588703601 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.8413341221242215
Energy: 0.4453464542898112
Energy: 0.550552046375657
Energy: 0.5493483339654885
Energy: 0.48522602672438075
Energy: 0.4544079849414083
Energy: 0.5751930973816655
Energy: 0.4544079849405598
Energy: 0.5760611761258312
Energy: 0.5079985393118016
Energy: 0.5757478755211834
Energy: 0.50799853931265
Energy: 0.5284752546327935
Energy: 0.4665834090015476
Energy: 0.4923205146884679
Energy: 0.46658340900239614
Energy: 0.49574586643008584
Energy: 0.48432896535621633
Energy: 0.5367718569582086
Energy: 0.48432896535876174
Energy: 0.4685050607598031
Energy: 0.48334625491441535
Energy: 0.5366319976469731
Energy: 0.4833462549135862
Energy: 0.4614262746234357
Energy: 0.4614088543728285
Energy: 0.49223853457856814
Energy: 0.46140885437198004
Energy: 0.46110963046068854
Energy: 0.46147181281215616
Energy: 0.6133027980695218
Energy: 0.46147181281130767
Energy: 0.4961166601672049
Energy: 0.47615922937066885
Energy: 0.6125388100884784
Energy: 0.47615922937236577
Energy: 0.6275132183678578
Energy: 0.42195580452263226
Energy: 0.4902339803694724
Energy: 0.4219558045217838
Energy: 0.49566456389217395
Energy: 0.4295087899637533
Energy: 0.4901750684945367
Energy: 0.4295087899637533
Energy: 0.6571634938777333
Energy: 0.42222209471959893
Energy: 0.47951185126070894
Energy: 0.42222209472044747
Energy: 0.6524807355477946
Energy: 0.42150718334830795
Energy: 0.4920506525589457
Energy: 0.4215071833457626
Energy: 0.4998635265981009
Energy: 0.423219836047517
Energy: 0.6035034645313516
Energy: 0.423219836047517
Energy: 0.5283839875989784
Energy: 0.4222597889365225
Energy: 0.6036740013566086
Energy: 0.4222597889365225
Energy: 0.5291963500942949
Energy: 0.5016481642883978
Energy: 0.4669119283788189
Energy: 0.5016481642875493
Energy: 0.482616201913033
Energy: 0.48620303692064565
Energy: 0.5376905309557015
Energy: 0.4862030369231718
Energy: 0.4606344852863526
Energy: 0.4611776784109315
Energy: 0.5372479735280277
Energy: 0.46117767841262836
Energy: 0.463060432041079
Energy: 0.4922107228910607
Energy: 0.6125211619739627
Energy: 0.4922107228919092
Energy: 0.4785759081071769
Energy: 0.4612412665474051
Energy: 0.6125097367151362
Energy: 0.4612412665474051
Energy: 0.6282586205938402
Energy: 0.47731119253596016
Energy: 0.4699428095229321
Energy: 0.47731119253511173
Energy: 0.6273937881637427
Energy: 0.4539744436102081
Energy: 0.45455174874789006
Energy: 0.45397444361105666
Energy: 0.5435940546662177
Energy: 0.4543431781742482
Energy: 0.45552236218444986
Energy: 0.45434317817170283
Energy: 0.6207111387509333
Energy: 0.4540954273433639
Energy: 0.45915666452166587
Energy: 0.4540954273433639

minimum gb energy = 0.4215071833457626 eV
minimum distance =  2.51287798301219 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.8089349384659342
Energy: 0.4425281994214818
Energy: 0.5517457693690622
Energy: 0.5482591538633272
Energy: 0.496141169936289
Energy: 0.448099960111629
Energy: 0.5354119486078261
Energy: 0.448099960111629
Energy: 0.5996762920874696
Energy: 0.4952736601644396
Energy: 0.5347987707783999
Energy: 0.49527366016496405
Energy: 0.6031778666688398
Energy: 0.4374522373615556
Energy: 0.5045592508182664
Energy: 0.4374522373615556
Energy: 0.530942504011942
Energy: 0.4416204640664623
Energy: 0.5307757780043125
Energy: 0.4416204640669868
Energy: 0.4445076953999853
Energy: 0.4415363060524494
Energy: 0.5144696323330618
Energy: 0.44153630605192506
Energy: 0.4347644817327546
Energy: 0.433894692494638
Energy: 0.504316521894862
Energy: 0.43389469249621127
Energy: 0.4406563138659032
Energy: 0.4339161757000185
Energy: 0.4343427117044533
Energy: 0.4339161757000185
Energy: 0.5333126891427956
Energy: 0.4352693862592841
Energy: 0.572980734162173
Energy: 0.43526938625771083
Energy: 0.543496309905467
Energy: 0.44959965092979476
Energy: 0.5383199910200803
Energy: 0.44959965092927034
Energy: 0.46752185531317453
Energy: 0.47157959791976345
Energy: 0.4600290447869041
Energy: 0.47157959792028786
Energy: 0.5165032280747527
Energy: 0.44799216266016495
Energy: 0.5491825109900249
Energy: 0.44799216266016495
Energy: 0.517665974809714
Energy: 0.44823117409335145
Energy: 0.4564040803412186
Energy: 0.44823117409440033
Energy: 0.4700944200268837
Energy: 0.4477225031341022
Energy: 0.4492109163230759
Energy: 0.4477225031341022
Energy: 0.6008439757350768
Energy: 0.4480921973191099
Energy: 0.4544374289301627
Energy: 0.44809219732068317
Energy: 0.4334404912528406
Energy: 0.4582380228238532
Energy: 0.46276719118738346
Energy: 0.4582380228243776
Energy: 0.4629369294601982
Energy: 0.44767799478313053
Energy: 0.5314307736725101
Energy: 0.44767799478417936
Energy: 0.45075948225761364
Energy: 0.4481730562301
Energy: 0.5191075206766673
Energy: 0.4481730562301
Energy: 0.45573057660926636
Energy: 0.44810564571770356
Energy: 0.48990655427483554
Energy: 0.448105645718228
Energy: 0.47200671375746767
Energy: 0.4816996425680423
Energy: 0.4327309940273724
Energy: 0.48169964257066444
Energy: 0.5351459692340049
Energy: 0.44818488797477174
Energy: 0.46238681447659175
Energy: 0.44818488797477174
Energy: 0.5342433419335978
Energy: 0.49541601451385103
Energy: 0.5989658374628187
Energy: 0.4954160145143755
Energy: 0.5038284788516756
Energy: 0.435443157957342
Energy: 0.6026048882681889
Energy: 0.43544315795839084
Energy: 0.5416731286702692
Energy: 0.43397830713955204
Energy: 0.4355225918411278
Energy: 0.43397830714322294
Energy: 0.5169553147585662
Energy: 0.4342066358178537
Energy: 0.4426273861344452
Energy: 0.434206635819427
Energy: 0.5056968163674325
Energy: 0.43384913693824567
Energy: 0.4368756322764489
Energy: 0.4338491369387701
Energy: 0.43280937236228156
Energy: 0.43405159491830364
Energy: 0.4343944321418501
Energy: 0.43405159492092577
Energy: 0.542575049454112
Energy: 0.4361069384073468
Energy: 0.5349061904908675
Energy: 0.4361069384073468
Energy: 0.5357512787333302
Energy: 0.49451378682788677
Energy: 0.5327671066699928
Energy: 0.49451378682788677
Energy: 0.46090092169789953
Energy: 0.44853495703089385
Energy: 0.4699633673071872
Energy: 0.4485349570293206
Energy: 0.550589163769833
Energy: 0.46336934085966036
Energy: 0.515769399660628
Energy: 0.46336934085913595
Energy: 0.4752698493473139
Energy: 0.46191270404843665
Energy: 0.5159434583490109
Energy: 0.46191270404686346
Energy: 0.4479944564205742
Energy: 0.4478412016059148
Energy: 0.4703279224081862
Energy: 0.4478412016080125
Energy: 0.4541719880772082
Energy: 0.44788093765162496
Energy: 0.6026469527047903
Energy: 0.44788093765162496
Energy: 0.4633734556951002
Energy: 0.4568562365801725
Energy: 0.433252301287566
Energy: 0.45685623658069696
Energy: 0.7183795851290155
Energy: 0.4480950418343845
Energy: 0.4631827922265981
Energy: 0.4480950418343845
Energy: 0.46314156842923276
Energy: 0.4482185423880348
Energy: 0.44876200977445097
Energy: 0.4482185423885593
Energy: 0.5423142065694839
Energy: 0.44818446237155607
Energy: 0.4732646176172482
Energy: 0.44818446237155607

minimum gb energy = 0.4327309940273724 eV
minimum distance =  2.52318394951219 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.8651868150493408
Energy: 0.43868011885892955
Energy: 0.4101054470844308
Energy: 0.4091750964275198
Energy: 0.40638590983979683
Energy: 0.40911657458297973
Energy: 0.45894856290990443
Energy: 0.40911657458285494
Energy: 0.40549654548568714
Energy: 0.4487821949517927
Energy: 0.45900726080629545
Energy: 0.4487821949517927
Energy: 0.407945163264158
Energy: 0.44988646755749084
Energy: 0.459993525023307
Energy: 0.44988646755817685
Energy: 0.4597721370729692
Energy: 0.4094838909405251
Energy: 0.45691609751878237
Energy: 0.40948389093941806
Energy: 0.4092198826134157
Energy: 0.4093188859054906
Energy: 0.4569405415264791
Energy: 0.4093188859056153
Energy: 0.4100029636449899
Energy: 0.40909109858541187
Energy: 0.45983068331447685
Energy: 0.40909109858555215
Energy: 0.410718180252514
Energy: 0.4091793358347767
Energy: 0.40565734720578633
Energy: 0.40917933583435573
Energy: 0.4252702270671284
Energy: 0.41008453225820957
Energy: 0.4070509893947272
Energy: 0.41008453225820957
Energy: 0.45989056263137
Energy: 0.44984968874928016
Energy: 0.45932652429648246
Energy: 0.4498496887494205
Energy: 0.4600686758287724
Energy: 0.4481739715618798
Energy: 0.4052788396029548
Energy: 0.4481739715613341
Energy: 0.45699356683433867
Energy: 0.4097690351521115
Energy: 0.45923853108939255
Energy: 0.4097690351527976
Energy: 0.4569959455966938
Energy: 0.40907768521492804
Energy: 0.40882760236127585
Energy: 0.40907768521492804
Energy: 0.4600425488143642
Energy: 0.4090751187749115
Energy: 0.409074337148379
Energy: 0.4090751187750518
Energy: 0.4071444921225419
Energy: 0.40909967172022005
Energy: 0.4100247134442959
Energy: 0.40909967171993933

minimum gb energy = 0.4052788396029548 eV
minimum distance =  2.56785585590868 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.7621981758785872
Energy: 0.4111450089249003
Energy: 0.5241209928526883
Energy: 0.5217719840491464
Energy: 0.4266125820162453
Energy: 0.40179527268998066
Energy: 0.4843829545412809
Energy: 0.40179527268768017
Energy: 0.6385965398932063
Energy: 0.4039990045279166
Energy: 0.487102854978408
Energy: 0.4039990045290668
Energy: 0.5644208773468461
Energy: 0.40180525016202356
Energy: 0.49005690673234986
Energy: 0.401805250164324
Energy: 0.49111512831931997
Energy: 0.4542145939993984
Energy: 0.6079029515517967
Energy: 0.4542145940028492
Energy: 0.4823518751021683
Energy: 0.40378795009063956
Energy: 0.5912534506725033
Energy: 0.4037879500923649
Energy: 0.4817226642446171
Energy: 0.40181057105968726
Energy: 0.5572962627655066
Energy: 0.4018105710585369
Energy: 0.431332357289191
Energy: 0.4015736639032239
Energy: 0.5070875929150849
Energy: 0.40157366389977317
Energy: 0.40120582629313284
Energy: 0.40145004607819607
Energy: 0.5034492168636832
Energy: 0.40145004607762097
Energy: 0.4039986823531485
Energy: 0.40146961350414995
Energy: 0.503191438250542
Energy: 0.4014696135029997
Energy: 0.4008347262997573
Energy: 0.4008164021469243
Energy: 0.761797332942262
Energy: 0.40081640214577413
Energy: 0.5932569214067849
Energy: 0.44916613753089646
Energy: 0.5035289009651616
Energy: 0.44916613753319695
Energy: 0.6003618667907161
Energy: 0.4199310174698405
Energy: 0.5910446996111808
Energy: 0.41993101747156586
Energy: 0.5593397172944703
Energy: 0.45186735580266846
Energy: 0.5664358937632653
Energy: 0.45186735580266846
Energy: 0.5947675002287272
Energy: 0.4036409021658024
Energy: 0.5056194666885758
Energy: 0.40364090216177656
Energy: 0.5948656457985168
Energy: 0.4013441983260568
Energy: 0.40539116587414653
Energy: 0.4013441983312329
Energy: 0.5569031347471353
Energy: 0.4012904454326115
Energy: 0.4044918703699799
Energy: 0.4012904454326115
Energy: 0.4265857244141892
Energy: 0.401854069198795
Energy: 0.4025817161355545
Energy: 0.4018540692045462
Energy: 0.5516258911020357
Energy: 0.4018337068485221
Energy: 0.48453960681815356
Energy: 0.4018337068490972
Energy: 0.5057497679938975
Energy: 0.4039107349518445
Energy: 0.48878281917847216
Energy: 0.40391073495069424
Energy: 0.5702052265432096
Energy: 0.40172482342667554
Energy: 0.48219281544508064
Energy: 0.40172482342667554
Energy: 0.5034047722878415
Energy: 0.48899489208441005
Energy: 0.6022470597837525
Energy: 0.4889948920901613
Energy: 0.48473164230564253
Energy: 0.40238245678283896
Energy: 0.6075149251505444
Energy: 0.4023824567811136
Energy: 0.40661556556837
Energy: 0.40229651583888587
Energy: 0.5591479951448968
Energy: 0.402296515844062
Energy: 0.4910567260344544
Energy: 0.4016492099047581
Energy: 0.48317255969960804
Energy: 0.40164920990130737
Energy: 0.4049463179957242
Energy: 0.4120310736779194
Energy: 0.4835677186623478
Energy: 0.4120310736819452
Energy: 0.40155575508518254
Energy: 0.4012975656177631
Energy: 0.504362427324612
Energy: 0.40129756561718793
Energy: 0.40136813780882635
Energy: 0.4015315434220509
Energy: 0.4264437183341298
Energy: 0.401531543422626
Energy: 0.5900704892768034
Energy: 0.4493837920180948
Energy: 0.5518897713006182
Energy: 0.44938379201866996
Energy: 0.48865125255330655
Energy: 0.42071372968072906
Energy: 0.555586809662909
Energy: 0.4207137296755529
Energy: 0.5566133631408637
Energy: 0.4219898302247411
Energy: 0.5708067875550287
Energy: 0.42198983022646647
Energy: 0.595096343506759
Energy: 0.45031508785467916
Energy: 0.49411010907969427
Energy: 0.4503150878529538
Energy: 0.5953422932987138
Energy: 0.40171478936018
Energy: 0.40134675584244595
Energy: 0.40171478936133026
Energy: 0.5589049209452835
Energy: 0.40131825960167705
Energy: 0.40178808375480907
Energy: 0.401318259601102
Energy: 0.5521717856126209
Energy: 0.40167234633171683
Energy: 0.4044699849366308
Energy: 0.4016723463340173

minimum gb energy = 0.40081640214577413 eV
minimum distance =  2.55588876146015 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.7438297419081585
Energy: 0.41269814214330985
Energy: 0.387184931314692
Energy: 0.3865873645738189
Energy: 0.5469744778294267
Energy: 0.3867098408049813
Energy: 0.495687051749419
Energy: 0.38670984080597076
Energy: 0.5477414533981564
Energy: 0.38681811159749463
Energy: 0.49583087510514273
Energy: 0.38681811159749463
Energy: 0.5467063054875223
Energy: 0.38740493700376205
Energy: 0.5655799852891435
Energy: 0.38740493700277245
Energy: 0.5049542803836039
Energy: 0.379334597811811
Energy: 0.5661201069738858
Energy: 0.37933459781082157
Energy: 0.505980251126911
Energy: 0.37937020865605675
Energy: 0.44094049988672496
Energy: 0.37937020865605675
Energy: 0.44539390548141067
Energy: 0.3793354169191098
Energy: 0.5842809511694594
Energy: 0.3793354169191098
Energy: 0.43830901882910134
Energy: 0.36920995911869303
Energy: 0.44564322732297434
Energy: 0.36920995911869303
Energy: 0.43571644600451814
Energy: 0.3788906990985932
Energy: 0.4528574073000733
Energy: 0.3788906990985932
Energy: 0.426408505082774
Energy: 0.36921934926742056
Energy: 0.575716899443125
Energy: 0.36921934926841005
Energy: 0.42629872569305255
Energy: 0.4266948977130658
Energy: 0.6566430942671608
Energy: 0.4266948977130658
Energy: 0.5283464123898861
Energy: 0.3694992060973454
Energy: 0.5753925557201416
Energy: 0.36949920609635595
Energy: 0.5290238440258105
Energy: 0.3787218164270026
Energy: 0.6261257269131091
Energy: 0.3787218164270026
Energy: 0.5292327964693987
Energy: 0.3696677359761702
Energy: 0.5467417682737854
Energy: 0.3696677359672874
Energy: 0.5661201069738858
Energy: 0.4200523794881245
Energy: 0.4986575915516266
Energy: 0.4200523794881245
Energy: 0.4409404998857355
Energy: 0.4199616393872483
Energy: 0.49362543055643415
Energy: 0.4199616393882378
Energy: 0.6124802246890665
Energy: 0.4416804023487938
Energy: 0.44530838214761065
Energy: 0.4416804023487938
Energy: 0.4456432312998853
Energy: 0.3868331313169304
Energy: 0.46544742414821944
Energy: 0.3868331313169304
Energy: 0.4528574072951259
Energy: 0.3871494661359406
Energy: 0.38677977059641255
Energy: 0.38714946613495105
Energy: 0.6117611471633433
Energy: 0.3868334204008165
Energy: 0.38674859807922957
Energy: 0.3868334204008165

minimum gb energy = 0.36920995911869303 eV
minimum distance =  2.54765913533039 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7987102803785376
Energy: 0.38199271934557033
Energy: 0.34382409039846396
Energy: 0.34386006898680355
Energy: 0.5147430114784549
Energy: 0.3441953808600262
Energy: 0.43336714305873464
Energy: 0.3441953808592536
Energy: 0.6608279835698655
Energy: 0.34376339412659995
Energy: 0.4473572088161704
Energy: 0.34376339412737256
Energy: 0.550864296414496
Energy: 0.34408609971226317
Energy: 0.43246732150289174
Energy: 0.34408609971303583
Energy: 0.5886314113901093
Energy: 0.3763939730079638
Energy: 0.5885722609383246
Energy: 0.37639397300719113
Energy: 0.5150771271673876
Energy: 0.3747266528746256
Energy: 0.5907416276808423
Energy: 0.374726652873853
Energy: 0.5480388064556866
Energy: 0.3767583503852051
Energy: 0.5277396325471091
Energy: 0.37675835038443245
Energy: 0.4325326740932294
Energy: 0.3449664827940314
Energy: 0.5868623451266035
Energy: 0.3449664827940314
Energy: 0.43293030213284256
Energy: 0.3445453468207725
Energy: 0.662387876139796
Energy: 0.3445453468207725
Energy: 0.4336733944842601
Energy: 0.34435956561229464
Energy: 0.527455668747081
Energy: 0.34435956561306724
Energy: 0.3435174415227669
Energy: 0.3435125874901523
Energy: 0.6739823424287219
Energy: 0.34351258749092495
Energy: 0.3438237588532461
Energy: 0.3434945464215753
Energy: 0.6634364072586619
Energy: 0.34349454642234795
Energy: 0.3440411923939835
Energy: 0.34336666705779867
Energy: 0.5144086240851176
Energy: 0.34336666705779867
Energy: 0.3733385758308458
Energy: 0.3439532496323802
Energy: 0.6570592872849327
Energy: 0.34395324963160756
Energy: 0.446840015695389
Energy: 0.34420908656624183
Energy: 0.5900502309346358
Energy: 0.3442090865670145
Energy: 0.43414897429962496
Energy: 0.3439593735831506
Energy: 0.6581553012452991
Energy: 0.3439593735839233
Energy: 0.5288291752354822
Energy: 0.34415205777415897
Energy: 0.6580689269231573
Energy: 0.34415205777415897
Energy: 0.4473049627061159
Energy: 0.374903891789464
Energy: 0.5271826015074397
Energy: 0.37490389179023664
Energy: 0.5888731688087105
Energy: 0.37483261090585585
Energy: 0.5475164532378657
Energy: 0.37483261090585585
Energy: 0.5887056071640618
Energy: 0.3435693904483438
Energy: 0.515493528191872
Energy: 0.34356939044911644
Energy: 0.6746566933521363
Energy: 0.343818142982043
Energy: 0.43257056706668734
Energy: 0.343818142982043
Energy: 0.5885078419697132
Energy: 0.344499800158247
Energy: 0.34454531141890155
Energy: 0.344499800158247
Energy: 0.6606442789985268
Energy: 0.3442863337252973
Energy: 0.4339844639350337
Energy: 0.34428633372452466
Energy: 0.6121984079654251
Energy: 0.3434462426838259
Energy: 0.34323314177844555
Energy: 0.3434462426838259
Energy: 0.5908082650539629
Energy: 0.3432200210861099
Energy: 0.3441596816729502
Energy: 0.3432200210853373
Energy: 0.6573192416047472
Energy: 0.3436775752520255
Energy: 0.34354008363567506
Energy: 0.3436775752527982

minimum gb energy = 0.3432200210853373 eV
minimum distance =  2.56236804360578 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.8866617568231718
Energy: 0.354162792633227
Energy: 0.3206852326817784
Energy: 0.3220599916783112
Energy: 0.5960957708670563
Energy: 0.32023937275351894
Energy: 0.39604141489350503
Energy: 0.32023937275351894
Energy: 0.7134478892334865
Energy: 0.32080696616699805
Energy: 0.4069723276383083
Energy: 0.3208069661657312
Energy: 0.5926181722187455
Energy: 0.3208770855009006
Energy: 0.47970889780761705
Energy: 0.3208770855002671
Energy: 0.5993168567336158
Energy: 0.32102898460074214
Energy: 0.5447037897881197
Energy: 0.3210289846001087
Energy: 0.5955621374849459
Energy: 0.32014141907623506
Energy: 0.5298455002799661
Energy: 0.3201414190781355
Energy: 0.5926485187411716
Energy: 0.3459261062005007
Energy: 0.6003506760471805
Energy: 0.3459261062005007
Energy: 0.5300152621325931
Energy: 0.34696055676659215
Energy: 0.5434938550059665
Energy: 0.34696055676598747
Energy: 0.48879498724728426
Energy: 0.345763514435873
Energy: 0.6537574808040812
Energy: 0.34576351443523956
Energy: 0.48900313515128163
Energy: 0.3201579005647081
Energy: 0.6001478671697921
Energy: 0.3201579005640746
Energy: 0.3945847808666707
Energy: 0.3202280750391785
Energy: 0.7809554040113461
Energy: 0.32022807503854506
Energy: 0.40463753125730195
Energy: 0.32032858943909037
Energy: 0.653247270611449
Energy: 0.3203285894397239
Energy: 0.3963559192096132
Energy: 0.3202318820159863
Energy: 0.6517570537552739
Energy: 0.3202318820147194
Energy: 0.32022150536784
Energy: 0.32037427806283486
Energy: 0.6508171839284836
Energy: 0.32037427805903423
Energy: 0.32205095518486515
Energy: 0.3205600521414084
Energy: 0.6537749974078623
Energy: 0.3205600521414084
Energy: 0.32192056399558994
Energy: 0.32064678100337046
Energy: 0.7080759884210236
Energy: 0.32064678100273697
Energy: 0.39229273822651184
Energy: 0.32050339662335126
Energy: 0.7078357734018174
Energy: 0.32050339662335126
Energy: 0.4023215667760095
Energy: 0.3202966438962538
Energy: 0.7110573087140926
Energy: 0.3202966438956203
Energy: 0.3953081097775426
Energy: 0.320343589220222
Energy: 0.5988623158576812
Energy: 0.3203435892195886
Energy: 0.5318180343452553
Energy: 0.32114938569324325
Energy: 0.5958838302071551
Energy: 0.32114938569387663
Energy: 0.5792368785551013
Energy: 0.34662869613347713
Energy: 0.6532236307301802
Energy: 0.3466286961341107
Energy: 0.53179210389269
Energy: 0.3207070820008559
Energy: 0.5926626711358521
Energy: 0.3207070820014894
Energy: 0.6545588919830162
Energy: 0.3454959386521541
Energy: 0.5937943630503603
Energy: 0.3454959386521541
Energy: 0.5439103850748014
Energy: 0.3210404643295779
Energy: 0.5322242482118101
Energy: 0.3210404643302113
Energy: 0.6566760818154392
Energy: 0.3470413220268224
Energy: 0.48261870224248243
Energy: 0.34704132202745586
Energy: 0.6542099454861505
Energy: 0.32025964016981784
Energy: 0.5315520648988451
Energy: 0.32025964016918435
Energy: 0.6513523069426846
Energy: 0.32090857139072954
Energy: 0.39441076526726143
Energy: 0.32090857139009615
Energy: 0.6546589950721823
Energy: 0.32107173980105336
Energy: 0.4011900405979138
Energy: 0.3210717397997864
Energy: 0.6511244824567398
Energy: 0.32030465170673766
Energy: 0.3944849624150108
Energy: 0.32030465170800454
Energy: 0.6549330203635978
Energy: 0.32021091468533214
Energy: 0.321403704265884
Energy: 0.32021091468533214
Energy: 0.6563158322723877
Energy: 0.320402863252512
Energy: 0.32161116203221746
Energy: 0.32040286325441225
Energy: 0.7080397157759293
Energy: 0.32053695778696245
Energy: 0.3204523637411507
Energy: 0.3205369577888628

minimum gb energy = 0.32014141907623506 eV
minimum distance =  2.56844962135516 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.7621319553300765
Energy: 0.3384926894504417
Energy: 0.46147575006805386
Energy: 0.30493398805559224
Energy: 0.6445520933463322
Energy: 0.30140678780036123
Energy: 0.37653854767995004
Energy: 0.30140678780089786
Energy: 0.7480525454158495
Energy: 0.30114923337826893
Energy: 0.37525927059120634
Energy: 0.30114923337826893
Energy: 0.6431792003748016
Energy: 0.30053430621308225
Energy: 0.4819582823482294
Energy: 0.3005343062141555
Energy: 0.6470207678436848
Energy: 0.302134467970309
Energy: 0.4933640884788661
Energy: 0.302134467970309
Energy: 0.6476445890679599
Energy: 0.302149604182955
Energy: 0.4819870186725442
Energy: 0.302149604182955
Energy: 0.5422181260365289
Energy: 0.30235374999569176
Energy: 0.6031760927374502
Energy: 0.30235374999515513
Energy: 0.5987094926539338
Energy: 0.32201806750714945
Energy: 0.4902757169574897
Energy: 0.3220180675082227
Energy: 0.5411289098011258
Energy: 0.32148425571734135
Energy: 0.5921736612124797
Energy: 0.3214842557184146
Energy: 0.5400770499598134
Energy: 0.3578982571132397
Energy: 0.6496482900043883
Energy: 0.3578982571116298
Energy: 0.4880423497300047
Energy: 0.30115986997107963
Energy: 0.6775534946347604
Energy: 0.30115986997000643
Energy: 0.440489258145696
Energy: 0.30276599142143024
Energy: 0.6942312660855532
Energy: 0.3027659914208936
Energy: 0.4825134320289239
Energy: 0.301688824059468
Energy: 0.6967626007653617
Energy: 0.3016888240578581
Energy: 0.3636291719483193
Energy: 0.3007978293432346
Energy: 0.601053789264522
Energy: 0.3007978293421614
Energy: 0.36878293987987937
Energy: 0.3021514431375831
Energy: 0.6940072677691862
Energy: 0.3021514431370465
Energy: 0.36611272806233014
Energy: 0.30096916588257505
Energy: 0.6991459931793458
Energy: 0.30096916588257505
Energy: 0.30041188184343887
Energy: 0.300818400274055
Energy: 0.693465617650652
Energy: 0.3008184002724451
Energy: 0.300453490099176
Energy: 0.3002965188121138
Energy: 0.696027252360182
Energy: 0.3002965188121138
Energy: 0.30036969259796403
Energy: 0.3006847839716325
Energy: 0.6494349793410141
Energy: 0.3006847839727058
Energy: 0.36815758007542126
Energy: 0.30130898056290295
Energy: 0.7411835965959124
Energy: 0.3013089805623907
Energy: 0.36708587796729725
Energy: 0.3018861171528674
Energy: 0.7427686326734523
Energy: 0.3018861171528674
Energy: 0.3641513030328846
Energy: 0.30040921826997447
Energy: 0.643422406439514
Energy: 0.30040921827051115
Energy: 0.4827671613308841
Energy: 0.301473246787601
Energy: 0.6455899636220405
Energy: 0.301473246787601
Energy: 0.49233543389406104
Energy: 0.30297353331698085
Energy: 0.6946811043140335
Energy: 0.30297353331429777
Energy: 0.4898068837872025
Energy: 0.302712054411811
Energy: 0.592575557223588
Energy: 0.3027120544128842
Energy: 0.5943875818148702
Energy: 0.3559718487551806
Energy: 0.6510104298580767
Energy: 0.3559718487551806
Energy: 0.4920079659786817
Energy: 0.3215901993369949
Energy: 0.5925953209057687
Energy: 0.32159019933753147
Energy: 0.5976775191913707
Energy: 0.3227544292091527
Energy: 0.5458013515761246
Energy: 0.3227544292091527
Energy: 0.5954062062167473
Energy: 0.3023142049066965
Energy: 0.5936398810560712
Energy: 0.3023142049061599
Energy: 0.5947070093901802
Energy: 0.3026318309630641
Energy: 0.4943919915954147
Energy: 0.30263183096360075
Energy: 0.6473011576859318
Energy: 0.30227340360465355
Energy: 0.4407760518442687
Energy: 0.30227340360465355
Energy: 0.5998039866693128
Energy: 0.30019343274707677
Energy: 0.49010598094122726
Energy: 0.3001934327465402
Energy: 0.6976010353971005
Energy: 0.3005848778407083
Energy: 0.3647906080640924
Energy: 0.3005848778385618
Energy: 0.6939254865464323
Energy: 0.30037598085399964
Energy: 0.3643385327312058
Energy: 0.3003759808529264
Energy: 0.6928082205721335
Energy: 0.3009770673159527
Energy: 0.32558882706083814
Energy: 0.30097706732668505
Energy: 0.6934063253260532
Energy: 0.30060958970049706
Energy: 0.30377397837610115
Energy: 0.3006095897015703
Energy: 0.6988022354914754
Energy: 0.3006217231392402
Energy: 0.30507391845475856
Energy: 0.30062172313977675

minimum gb energy = 0.3001934327465402 eV
minimum distance =  2.56365430616532 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.8557525823992601
Energy: 0.32536809677510936
Energy: 0.276018046610317
Energy: 0.27533119876533846
Energy: 0.6756585848097364
Energy: 0.27572569129894153
Energy: 0.3327793322912968
Energy: 0.2757256912966145
Energy: 0.676057424944673
Energy: 0.27559535214558273
Energy: 0.3329500005782869
Energy: 0.27559535214511727
Energy: 0.6007879770531095
Energy: 0.275840824832208
Energy: 0.43455973121163877
Energy: 0.27584082483267336
Energy: 0.6754688736834533
Energy: 0.27509880486443417
Energy: 0.44273216225628736
Energy: 0.275098804865365
Energy: 0.6034097528846626
Energy: 0.2752540078464164
Energy: 0.43956387779565853
Energy: 0.2752540078454856
Energy: 0.601077430209105
Energy: 0.2752897255929999
Energy: 0.5341759305033773
Energy: 0.27528972559253445
Energy: 0.626188435177106
Energy: 0.27529045470672414
Energy: 0.4647563486962105
Energy: 0.2752904547053278
Energy: 0.6016621015528053
Energy: 0.27604756292631866
Energy: 0.5329360767907053
Energy: 0.27604756292911115
Energy: 0.6017000442848564
Energy: 0.3129424476795777
Energy: 0.6255016623677241
Energy: 0.3129424476814393
Energy: 0.533202162203804
Energy: 0.2752385383210838
Energy: 0.6309408923112318
Energy: 0.2752385383206184
Energy: 0.5084074837674613
Energy: 0.2754870454193051
Energy: 0.6256929537366223
Energy: 0.27548704542116664
Energy: 0.5331526029402367
Energy: 0.2751953501476323
Energy: 0.6485567901014784
Energy: 0.27519535014995933
Energy: 0.43308332044367853
Energy: 0.2753325463434621
Energy: 0.5545573301322522
Energy: 0.275332546342087
Energy: 0.423180426154752
Energy: 0.2750848752829085
Energy: 0.71365670753195
Energy: 0.27508487528197767
Energy: 0.43299472564464025
Energy: 0.27523692204470707
Energy: 0.6463890673093291
Energy: 0.27523692204238
Energy: 0.33143179870345085
Energy: 0.2755184601841321
Energy: 0.6462318416782931
Energy: 0.2755184601841321
Energy: 0.3364364159741793
Energy: 0.2756170872145558
Energy: 0.6700224969914831
Energy: 0.27561708721502126
Energy: 0.32712666736705076
Energy: 0.27329289710038357
Energy: 0.7332634753087695
Energy: 0.27329289709991816
Energy: 0.30375082397056924
Energy: 0.27387743468156545
Energy: 0.733262037513113
Energy: 0.27387743468156545
Energy: 0.3037160816238265
Energy: 0.27390025246647354
Energy: 0.6712794607862875
Energy: 0.27390025246647354
Energy: 0.3008219031430019
Energy: 0.27426514057622864
Energy: 0.6683603534180023
Energy: 0.274265140574367
Energy: 0.354305705343204
Energy: 0.27357532739879514
Energy: 0.7543164829691303
Energy: 0.27357532739832974
Energy: 0.3623534158185509
Energy: 0.27572270024159745
Energy: 0.7565691421055691
Energy: 0.27572270024020124
Energy: 0.35431198041141493
Energy: 0.27361263191432383
Energy: 0.7023491633934711
Energy: 0.27361263191525464
Energy: 0.4368974041079267
Energy: 0.27555909422659197
Energy: 0.6758556739356475
Energy: 0.2755590942275228
Energy: 0.43671787132065615
Energy: 0.2749993007397611
Energy: 0.6928006099776223
Energy: 0.2749993007406919
Energy: 0.49963998164472917
Energy: 0.2751183771652951
Energy: 0.6014224434124044
Energy: 0.27511837716389886
Energy: 0.5382328701807718
Energy: 0.27533313728872866
Energy: 0.6698582057892069
Energy: 0.27533313728872866
Energy: 0.5385933450334879
Energy: 0.2751654562927873
Energy: 0.6031676308131594
Energy: 0.2751654562927873
Energy: 0.6354100117553781
Energy: 0.33277525873341823
Energy: 0.509870959119569
Energy: 0.332775258732022
Energy: 0.5551378329987278
Energy: 0.3264388842047294
Energy: 0.6117570013671061
Energy: 0.326438884204264
Energy: 0.6274843274997275
Energy: 0.32772586928409336
Energy: 0.5090914448999434
Energy: 0.3277258692850242
Energy: 0.6759522976108797
Energy: 0.275654661044732
Energy: 0.5100593205501514
Energy: 0.275654661044732
Energy: 0.6298173206397264
Energy: 0.2762725299602338
Energy: 0.4343433238171129
Energy: 0.27627252996256085
Energy: 0.7165915675205032
Energy: 0.27595906033774487
Energy: 0.4466149423170396
Energy: 0.2759590603396065
Energy: 0.7180808096441089
Energy: 0.27593261486208653
Energy: 0.43482808069386764
Energy: 0.27593261486348275
Energy: 0.6466116891080617
Energy: 0.27582935605657155
Energy: 0.3297095780655682
Energy: 0.2758293560561061
Energy: 0.7151641996086621
Energy: 0.2760465522058527
Energy: 0.33403568009844936
Energy: 0.2760465522081798
Energy: 0.7332194845277129
Energy: 0.27571902196590825
Energy: 0.32997761523569863
Energy: 0.2757190219668391
Energy: 0.6459423195576263
Energy: 0.2756548345733748
Energy: 0.2751970344969106
Energy: 0.275654834572444
Energy: 0.7157494441914733
Energy: 0.2754158493062974
Energy: 0.2756772818109902
Energy: 0.27541584930397034
Energy: 0.6902108483982298
Energy: 0.275222217170965
Energy: 0.275359672485559
Energy: 0.2752222171700342

minimum gb energy = 0.27329289709991816 eV
minimum distance =  2.5599368107988 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.009205997334021969
Energy: 0.009860283065822806
Energy: 0.5903701315122739
Energy: 0.24023797275450437
Energy: 0.01022608848545653
Energy: 0.0590108581067149
Energy: 0.40813246348123194
Energy: 0.05901085810637699
Energy: 0.009559002694152715
Energy: 0.05926829254171
Energy: 0.40865508557432034
Energy: 0.05926829254206778
Energy: 0.010579150628352435
Energy: 0.05854584804997067
Energy: 0.4078592223674595
Energy: 0.05854584804997067
Energy: 0.4079545627396113
Energy: 0.05852610899392906
Energy: 0.4079189348959469
Energy: 0.058526108993233364
Energy: 0.009515188143877983
Energy: 0.058692923163112073
Energy: 0.407977252578361
Energy: 0.05869292316414568

minimum gb energy = 0.009205997334021969 eV
minimum distance =  2.81023010442191 Angstroms
sigma value = 1