Model name: model_name=EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_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=4.031036108732224
cohesive_energy=3.3595443185119036
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=[2.0036820984803998e-19, 2.67246266904468e-19, 3.03293638992834e-19, 3.3941631338299793e-19, 3.6868487613290992e-19, 3.9371087515599e-19, 4.1533545318508797e-19, 4.339687674385079e-19, 4.49830316115108e-19, 4.63222910598714e-19, 4.7523763317707995e-19, 4.86374362960014e-19, 4.96136425190976e-19, 5.04208191073068e-19, 5.108540197508999e-19, 5.16548155508136e-19, 5.21719981682688e-19, 5.26345465625046e-19, 5.3024836790547e-19, 5.333277513960179e-19, 5.3558361609669e-19, 5.37096070839186e-19, 5.3794682663184e-19, 5.38215992306352e-19, 5.37934009218768e-19, 5.3704159683363e-19, 5.354201940800219e-19, 5.32877539761864e-19, 5.292005443868339e-19, 5.2416009669627e-19, 5.174886331922939e-19, 5.08916988200394e-19, 4.98192017812398e-19, 4.845815273065679e-19, 4.6714664117538e-19, 4.4472417918255e-19, 4.1573599734358797e-19, 3.78124900860438e-19, 3.298881689406e-19, 2.6872828029091797e-19, 1.91737284320682e-19, 9.4871287205676e-20, -2.5998520239918e-20, -1.75603365616302e-19, -3.6055062536209193e-19, -5.91677422229664e-19, -8.85087233567352e-19, -1.250766426334878e-18, -1.6569230095837798e-18, -2.11355937204012e-18, -2.66483630826684e-18, -3.36250412354214e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.0104199266972539
Energy: 0.05179668188943899
Energy: 0.3303959862738848
Energy: 0.05179668188943899
Energy: 0.05179668188943899
Energy: 0.3924641327199174
Energy: 0.05179668188943899
Energy: 0.392464132719413
Energy: 0.330395986272876
Energy: 0.05179668188943899
Energy: 0.0104199266972539
Energy: 0.05179668188943899
Energy: 0.051796681889915396
Energy: 0.392464132719413
Energy: 0.05179668188943899
Energy: 0.3924641327203938

minimum gb energy = 0.0104199266972539 eV
minimum distance =  2.81980143858823 Angstroms
sigma value = 1


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

Energy: 0.6550280206968624
Energy: 0.4950675027769842
Energy: 0.49675029047294494
Energy: 0.4950675027763724
Energy: 0.45341332524659667
Energy: 0.49133532846298533
Energy: 0.45338817109876545
Energy: 0.49133532846237354
Energy: 0.49542964308892934
Energy: 0.49487087462643636
Energy: 0.713719001560182
Energy: 0.4948708746258246
Energy: 0.4738416207836718
Energy: 0.4542363755319713
Energy: 0.453614266583928
Energy: 0.45423637553258306
Energy: 0.6096795892540948
Energy: 0.45440120556960883
Energy: 0.45556222361832244
Energy: 0.45440120556838526
Energy: 0.47369467635077245
Energy: 0.45985647366393617
Energy: 0.45946387673475336
Energy: 0.4598564736633244
Energy: 0.47857455368928803
Energy: 0.4784445303714748
Energy: 0.4659505266196801
Energy: 0.47844453037086304
Energy: 0.469277702010259
Energy: 0.4836897775489151
Energy: 0.48358523318549934
Energy: 0.4836897775476916
Energy: 0.4875334866235919
Energy: 0.4929418988326761
Energy: 0.4910760462665884
Energy: 0.4929418988332878
Energy: 0.47886289778845736
Energy: 0.48879858210588567
Energy: 0.4672345632078961
Energy: 0.4887985821071092
Energy: 0.4649086620497502
Energy: 0.49253171702961623
Energy: 0.5268841438667013
Energy: 0.49253171702900445
Energy: 0.4704547618072626
Energy: 0.4918586184002719
Energy: 0.4816614965685696
Energy: 0.4918586184002719
Energy: 0.4769846194840037
Energy: 0.4779803074151562
Energy: 0.4647980506523423
Energy: 0.47798030741576797
Energy: 0.47402262899848346
Energy: 0.4786819717031946
Energy: 0.4765093686209737
Energy: 0.4786819717038064
Energy: 0.4649186783615719
Energy: 0.4532317615365568
Energy: 0.4535514682991894
Energy: 0.45323176153778033
Energy: 0.46807336927062504
Energy: 0.4537540623660738
Energy: 0.45320671240401456
Energy: 0.4537540623660738
Energy: 0.4959452837598278
Energy: 0.4950621747037689
Energy: 0.45396923341535944
Energy: 0.4950621747025453
Energy: 0.4550182211194106
Energy: 0.4547762885513633
Energy: 0.45635315399068055
Energy: 0.4547762885519751
Energy: 0.46043934354222726
Energy: 0.4949768325187663
Energy: 0.49675963685649993
Energy: 0.4949768325181545
Energy: 0.4737195506796809
Energy: 0.4558317659585416
Energy: 0.45492441581592236
Energy: 0.45583176595731806
Energy: 0.4552853632536523
Energy: 0.45414804234123596
Energy: 0.46552924386936956
Energy: 0.45414804234184775
Energy: 0.45930543038338456
Energy: 0.45394846410789796
Energy: 0.47371977393490644
Energy: 0.45394846410789796
Energy: 0.46544019098954453
Energy: 0.47848085931484724
Energy: 0.47980057005719356
Energy: 0.47848085931301193
Energy: 0.48072762567580735
Energy: 0.4777183512964302
Energy: 0.46769803373105373
Energy: 0.4777183512964302
Energy: 0.4888154171331968
Energy: 0.4939117669309831
Energy: 0.48841303970301736
Energy: 0.49391176693037137
Energy: 0.46832303433803735
Energy: 0.4921644132319876
Energy: 0.4799525771834405
Energy: 0.4921644132313759
Energy: 0.48816863593880944
Energy: 0.4933153752745543
Energy: 0.46529643625243133
Energy: 0.4933153752745543
Energy: 0.48060280734629446
Energy: 0.4921648662489967
Energy: 0.46790882241060755
Energy: 0.4921648662496085
Energy: 0.46514290578786266
Energy: 0.4779969327004751
Energy: 0.4771560500322416
Energy: 0.4779969326992516
Energy: 0.4717952161680873
Energy: 0.47914509860233406
Energy: 0.49280710879679895
Energy: 0.47914509860172233
Energy: 0.4531408608446436
Energy: 0.4533663299375217
Energy: 0.4646370219620649
Energy: 0.4533663299375217
Energy: 0.4531912890815312
Energy: 0.4539645805065849
Energy: 0.4677792175864992
Energy: 0.4539645805059731
Energy: 0.45396169795083613
Energy: 0.4951269988625137
Energy: 0.49645076193071175
Energy: 0.4951269988631255

minimum gb energy = 0.4531408608446436 eV
minimum distance =  2.59352777394052 Angstroms
sigma value = 1


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

Energy: 0.748020174173427
Energy: 0.5143367326146352
Energy: 0.5140996163688448
Energy: 0.5143367326153327
Energy: 0.46876585617867655
Energy: 0.5055656755037233
Energy: 0.4686560036269528
Energy: 0.5055656755065134
Energy: 0.5146087993200187
Energy: 0.5140098366890601
Energy: 0.6846542854521621
Energy: 0.5140098366890601
Energy: 0.47060477269642864
Energy: 0.5185536180492218
Energy: 0.4688644753847341
Energy: 0.5185536180554996
Energy: 0.4773954626074274
Energy: 0.46978611039049273
Energy: 0.4695987400955643
Energy: 0.46978611039049273
Energy: 0.4909890454666154
Energy: 0.4690398165341432
Energy: 0.47562434288371513
Energy: 0.4690398165355382
Energy: 0.5028643971521224
Energy: 0.5014440916588756
Energy: 0.5151686127879335
Energy: 0.5014440916546906
Energy: 0.48476891562746915
Energy: 0.5077152463176179
Energy: 0.49856232285866714
Energy: 0.5077152463155253
Energy: 0.5152680285466569
Energy: 0.5180003483479818
Energy: 0.5275835516549573
Energy: 0.5180003483472843
Energy: 0.4980295349814747
Energy: 0.5185862913979791
Energy: 0.48592858572926806
Energy: 0.518586291391004
Energy: 0.4831440479242557
Energy: 0.5008795990561689
Energy: 0.5022844140147279
Energy: 0.5008795990540762
Energy: 0.48963010643742183
Energy: 0.5018345690438505
Energy: 0.491790334815642
Energy: 0.501834569044548
Energy: 0.4691039506438669
Energy: 0.4688556499336891
Energy: 0.4829125467036327
Energy: 0.46885564993508416
Energy: 0.4685795151188839
Energy: 0.46928513526783144
Energy: 0.4814079968295834
Energy: 0.4692851352685289
Energy: 0.46806724326158816
Energy: 0.5143732747038643
Energy: 0.51341743554419
Energy: 0.5143732747080494
Energy: 0.47474969259052185
Energy: 0.4719325418915768
Energy: 0.4686804665020168
Energy: 0.47193254189366934
Energy: 0.5163707150840934
Energy: 0.5138430050525334
Energy: 0.47715932929038374
Energy: 0.5138430050490459
Energy: 0.4705678557577262
Energy: 0.471016353311705
Energy: 0.49127460095311054
Energy: 0.471016353311705
Energy: 0.4770844857601388
Energy: 0.4703438102729118
Energy: 0.4702051014691967
Energy: 0.47034381027221434
Energy: 0.49195686561490326
Energy: 0.46993960006849905
Energy: 0.47582632363068933
Energy: 0.469939600067104
Energy: 0.5029938178320844
Energy: 0.5013807120484216
Energy: 0.5154245277145517
Energy: 0.5013807120414782
Energy: 0.48451439253969675
Energy: 0.5002024646163775
Energy: 0.4981350314234848
Energy: 0.5002024646170751
Energy: 0.5156055942632344
Energy: 0.5178555862809749
Energy: 0.5275030968857393
Energy: 0.5178555862795798
Energy: 0.4979079887951147
Energy: 0.5176402365453983
Energy: 0.4850764584963264
Energy: 0.5176402365453983
Energy: 0.48331754592034515
Energy: 0.5008716268605983
Energy: 0.502728330503856
Energy: 0.5008716268599007
Energy: 0.4893394631108843
Energy: 0.5019526227267034
Energy: 0.49125619424926165
Energy: 0.5019526227267034
Energy: 0.4685732935821161
Energy: 0.4690736473410405
Energy: 0.4828068375417544
Energy: 0.46907364734383056
Energy: 0.4685849190547914
Energy: 0.46921358466101737
Energy: 0.48130811480666036
Energy: 0.4692135846617149
Energy: 0.46812916584275965
Energy: 0.5144056460036395
Energy: 0.513765957900268
Energy: 0.5144056460091878

minimum gb energy = 0.46806724326158816 eV
minimum distance =  2.59285598464892 Angstroms
sigma value = 25


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

Energy: 0.7115977796221122
Energy: 0.5335145495111416
Energy: 0.5329479945144233
Energy: 0.5335145495119524
Energy: 0.48479941019176187
Energy: 0.5207654461824238
Energy: 0.4846714428903128
Energy: 0.520765446181613
Energy: 0.5344551254745011
Energy: 0.5333542528140948
Energy: 0.49446014678017935
Energy: 0.5333542528132839
Energy: 0.5055467967354476
Energy: 0.5208426695997012
Energy: 0.484881572291546
Energy: 0.5208426695997012
Energy: 0.49087457116752636
Energy: 0.48447959766806237
Energy: 0.4853623701441831
Energy: 0.48447959766806237
Energy: 0.5296603536264458
Energy: 0.4855804522991514
Energy: 0.49247415511743353
Energy: 0.4855804522991514
Energy: 0.5350003265306897
Energy: 0.5291787954987555
Energy: 0.5360582191999461
Energy: 0.5291787954987555
Energy: 0.5032943945323751
Energy: 0.5287589755420126
Energy: 0.5166530542654892
Energy: 0.5287589755420126
Energy: 0.5372702351927016
Energy: 0.5283611326426289
Energy: 0.5743140321745795
Energy: 0.5283611326418179
Energy: 0.5292817467482411
Energy: 0.5297697794000676
Energy: 0.5110682176850125
Energy: 0.5297697793984459
Energy: 0.4729114753276386
Energy: 0.485186589352525
Energy: 0.4855833569689882
Energy: 0.48518658935090325
Energy: 0.49617193664462456
Energy: 0.48550733584067673
Energy: 0.4847159983448367
Energy: 0.48550733584067673
Energy: 0.5323303468315663
Energy: 0.5334980352705455
Energy: 0.4824234435983715
Energy: 0.5334980352713563
Energy: 0.4849483699102916
Energy: 0.4876147371169214
Energy: 0.4970999326985615
Energy: 0.4876147371169214
Energy: 0.49435355991090973
Energy: 0.5333424335841364
Energy: 0.5339762870233514
Energy: 0.5333424335833254
Energy: 0.5286446777114951
Energy: 0.4870798735038244
Energy: 0.5051611933109825
Energy: 0.4870798735038244
Energy: 0.48645579961738106
Energy: 0.48451520581546564
Energy: 0.4905862689171969
Energy: 0.48451520581546564
Energy: 0.485902923684379
Energy: 0.4851751906698628
Energy: 0.5287000697387958
Energy: 0.4851751906698628
Energy: 0.5368400015835748
Energy: 0.5294233770235475
Energy: 0.5072054748731142
Energy: 0.5294233770235475
Energy: 0.5175517459034256
Energy: 0.5281296787645902
Energy: 0.5052208151843876
Energy: 0.528129678765401
Energy: 0.5723263224661915
Energy: 0.5283978757622121
Energy: 0.5378386264071116
Energy: 0.5283978757622121
Energy: 0.5104806561927021
Energy: 0.5296256842480879
Energy: 0.5282036213689947
Energy: 0.5296256842472771
Energy: 0.4850210876066026
Energy: 0.4853697032183878
Energy: 0.472673814353584
Energy: 0.4853697032191986
Energy: 0.48471184748186497
Energy: 0.48733425929644963
Energy: 0.49611825290974376
Energy: 0.4873342592956388
Energy: 0.4820617287717705
Energy: 0.5334516720748274
Energy: 0.5328785224273905
Energy: 0.5334516720748274

minimum gb energy = 0.472673814353584 eV
minimum distance =  2.59446031440297 Angstroms
sigma value = 9


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

Energy: 0.6580954236773251
Energy: 0.5500711767177112
Energy: 0.5510344197914889
Energy: 0.5500711767186786
Energy: 0.5244905780915846
Energy: 0.5315460345011754
Energy: 0.5246469018071662
Energy: 0.5315460345002081
Energy: 0.5504546479108124
Energy: 0.5501510694210858
Energy: 0.5183236469051259
Energy: 0.5501510694210858
Energy: 0.5191104587751465
Energy: 0.5315097245571218
Energy: 0.5245777991366956
Energy: 0.5315097245580891
Energy: 0.5254742664107115
Energy: 0.5025275009948708
Energy: 0.5041863629420956
Energy: 0.5025275009968054
Energy: 0.5524040371460328
Energy: 0.5029386723808695
Energy: 0.5093434467603485
Energy: 0.5029386723818369
Energy: 0.5267154496420823
Energy: 0.5539673748392853
Energy: 0.5205489062341433
Energy: 0.5539673748373507
Energy: 0.5094899671154379
Energy: 0.5547488788507051
Energy: 0.5511333876786851
Energy: 0.5547488788507051
Energy: 0.5024772825476238
Energy: 0.5027041347718691
Energy: 0.4781059526218687
Energy: 0.5027041347709019
Energy: 0.5244016481673437
Energy: 0.5067836788945806
Energy: 0.5104378248284869
Energy: 0.5067836788936133
Energy: 0.49444761864642195
Energy: 0.549816519709111
Energy: 0.5499153006762094
Energy: 0.549816519709111
Energy: 0.5585246451033442
Energy: 0.5191728495047607
Energy: 0.5246423576050627
Energy: 0.5191728495066952
Energy: 0.5508616494357585
Energy: 0.5507040470363223
Energy: 0.5182160084670886
Energy: 0.5507040470363223
Energy: 0.5193649363606296
Energy: 0.5064883681107999
Energy: 0.550068360395586
Energy: 0.5064883681117673
Energy: 0.5253961056952613
Energy: 0.5029456992389219
Energy: 0.502589596746755
Energy: 0.5029456992369873
Energy: 0.5515699050502545
Energy: 0.5032308445315843
Energy: 0.5047479618430452
Energy: 0.503230844513206
Energy: 0.525716011330951
Energy: 0.5542995311128185
Energy: 0.5203881268039735
Energy: 0.5542995311128185
Energy: 0.5294138881360622
Energy: 0.5538778815887
Energy: 0.5508593374374411
Energy: 0.5538778815887
Energy: 0.5036116857094439
Energy: 0.5028545581303117
Energy: 0.47785700123135566
Energy: 0.5028545581283771
Energy: 0.5245103000587282
Energy: 0.5062189294933503
Energy: 0.477823945523323
Energy: 0.5062189294943177
Energy: 0.4946545835926004
Energy: 0.5502055681935333
Energy: 0.5507435016659593
Energy: 0.5502055681935333

minimum gb energy = 0.477823945523323 eV
minimum distance =  2.59145624912644 Angstroms
sigma value = 25


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

Energy: 0.579573529510738
Energy: 0.5691110737414937
Energy: 0.5703264849167685
Energy: 0.5691110737414937
Energy: 0.5428822634149544
Energy: 0.5227367369606817
Energy: 0.542720965369015
Energy: 0.5227367369606817
Energy: 0.5692209071588432
Energy: 0.5711086552849263
Energy: 0.5942290564871733
Energy: 0.5711086552861224
Energy: 0.5374571512640527
Energy: 0.5221936368193318
Energy: 0.5427289349918114
Energy: 0.5221936368205282
Energy: 0.53029832779183
Energy: 0.5594384148403226
Energy: 0.5326384546898537
Energy: 0.5594384148391537
Energy: 0.5918796433241929
Energy: 0.5321030596039718
Energy: 0.49965484566766677
Energy: 0.5321030596039718
Energy: 0.5785871575022626
Energy: 0.5337738764053382
Energy: 0.5309522051787514
Energy: 0.5337738764053382
Energy: 0.5411410244714724
Energy: 0.558579230904189
Energy: 0.5429944364950973
Energy: 0.5585792309053853
Energy: 0.5691609589702255
Energy: 0.5688879160100004
Energy: 0.5886199718834171
Energy: 0.5688879160088041
Energy: 0.5441250266743473
Energy: 0.5359138263594297
Energy: 0.5888098370908652
Energy: 0.5359138263594297
Energy: 0.594171522196591
Energy: 0.5701390215726114
Energy: 0.5706641496039788
Energy: 0.5701390215726114
Energy: 0.5913803124162931
Energy: 0.5365207679356221
Energy: 0.5368064317870119
Energy: 0.5365207679356221
Energy: 0.5339058290673837
Energy: 0.5594094894006478
Energy: 0.5303961748873692
Energy: 0.5594094893994516
Energy: 0.5332888649257255
Energy: 0.5323178814615451
Energy: 0.5954258281093631
Energy: 0.5323178814615451
Energy: 0.5331972816325864
Energy: 0.5322417600401375
Energy: 0.5824877234274257
Energy: 0.5322417600413337
Energy: 0.5433062002373471
Energy: 0.5604652451933293
Energy: 0.5801555478492937
Energy: 0.5604652451861519
Energy: 0.588912164750176
Energy: 0.5688281192799249
Energy: 0.5700321513761797
Energy: 0.5688281192787288

minimum gb energy = 0.49965484566766677 eV
minimum distance =  2.58927040025594 Angstroms
sigma value = 17


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

Energy: 0.7984918825709367
Energy: 0.6330326317207612
Energy: 0.6335909987375763
Energy: 0.6330326317200837
Energy: 0.5386197193495335
Energy: 0.5209737202685398
Energy: 0.6223368606197862
Energy: 0.5209737202685398
Energy: 0.5393646525757103
Energy: 0.5384867433713361
Energy: 0.6467376640866026
Energy: 0.5384867433706586
Energy: 0.5191480489072484
Energy: 0.5200488282733405
Energy: 0.5984926491610199
Energy: 0.520048828274018
Energy: 0.5988948544812698
Energy: 0.5759081663288537
Energy: 0.5550316437139559
Energy: 0.5759081663295312
Energy: 0.5980999380070615
Energy: 0.5737781252925601
Energy: 0.5583742250614414
Energy: 0.5737781252932378
Energy: 0.6392137490431509
Energy: 0.5382078137347035
Energy: 0.5391161242711208
Energy: 0.5382078137347035
Energy: 0.6561342759267758
Energy: 0.519888213905695
Energy: 0.5383567562751522
Energy: 0.519888213905695
Energy: 0.6342790655672748
Energy: 0.6327923576599727
Energy: 0.6487593923179066
Energy: 0.6327923576592953
Energy: 0.6228615670229097
Energy: 0.584955618186846
Energy: 0.6090359037258916
Energy: 0.5849556181861686
Energy: 0.5980482639234641
Energy: 0.5242725083357618
Energy: 0.5250575791249382
Energy: 0.5242725083357618
Energy: 0.600272290586734
Energy: 0.5247830571297394
Energy: 0.5249358352025543
Energy: 0.524783057130417
Energy: 0.6386733248139614
Energy: 0.5240024919387597
Energy: 0.5239226177276626
Energy: 0.5240024919380822
Energy: 0.6387348616655305
Energy: 0.5427426348138836
Energy: 0.5243481710912095
Energy: 0.5427426348138836
Energy: 0.6337410360138956
Energy: 0.6326380219518749
Energy: 0.6266641160838426
Energy: 0.6326380219532299
Energy: 0.6330464444354479
Energy: 0.6327788479197157
Energy: 0.6486574848604063
Energy: 0.6327788479203932
Energy: 0.6487809138301592
Energy: 0.5382786165919948
Energy: 0.5385736380424185
Energy: 0.5382786165913175
Energy: 0.6493762657287515
Energy: 0.5383912397163402
Energy: 0.5384845047586617
Energy: 0.5383912397170177
Energy: 0.5582949600084117
Energy: 0.5765007332795774
Energy: 0.5979767034524731
Energy: 0.5765007332788997
Energy: 0.5503244135192362
Energy: 0.5770708407722909
Energy: 0.5978955959803978
Energy: 0.5770708407722909
Energy: 0.5382242234007575
Energy: 0.519663505924248
Energy: 0.6397479705111601
Energy: 0.5196635059235705
Energy: 0.5383853149009861
Energy: 0.5382011066846181
Energy: 0.6417302484655192
Energy: 0.5382011066839404
Energy: 0.6205778385030893
Energy: 0.5851195101425959
Energy: 0.6223290249791028
Energy: 0.5851195101425959
Energy: 0.6477349269517977
Energy: 0.6327093384767806
Energy: 0.6330091847557401
Energy: 0.6327093384761032
Energy: 0.524611135520663
Energy: 0.5201766536604895
Energy: 0.5967111731587293
Energy: 0.5201766536604895
Energy: 0.5255797377677308
Energy: 0.5249212618635873
Energy: 0.5969784259571107
Energy: 0.5249212618635873
Energy: 0.5086791685539435
Energy: 0.5605133244027762
Energy: 0.6294056100403778
Energy: 0.5605133244014214
Energy: 0.5278340115699649
Energy: 0.5243496315288569
Energy: 0.64243607924733
Energy: 0.5243496315295345
Energy: 0.5244195789059768
Energy: 0.5907252200130126
Energy: 0.5418097083793841
Energy: 0.5907252200136902
Energy: 0.6490201501483954
Energy: 0.6328304559843193
Energy: 0.6332841886488939
Energy: 0.6328304559829644

minimum gb energy = 0.5086791685539435 eV
minimum distance =  2.57261003873322 Angstroms
sigma value = 53


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

Energy: 0.7139137179895213
Energy: 0.5758224994213177
Energy: 0.5779079481878603
Energy: 0.5758224994213177
Energy: 0.545638438165386
Energy: 0.49929478315295917
Energy: 0.5962945154355006
Energy: 0.4992947831513995
Energy: 0.5765269504006277
Energy: 0.5763226092823487
Energy: 0.5672679678545192
Energy: 0.5763226092839084
Energy: 0.5453205569199127
Energy: 0.5002172201886185
Energy: 0.556383509816438
Energy: 0.5002172201854991
Energy: 0.567137355331785
Energy: 0.49895875718241167
Energy: 0.46335780685885003
Energy: 0.4989587571839713
Energy: 0.5439558177389282
Energy: 0.499915368732476
Energy: 0.4634736825258971
Energy: 0.4999153687309162
Energy: 0.6209919446764038
Energy: 0.5749976850530435
Energy: 0.5759989983449045
Energy: 0.5749976850514836
Energy: 0.6560005797068228
Energy: 0.544439191576017
Energy: 0.5975806381905389
Energy: 0.5444391915775766
Energy: 0.5770318171990365
Energy: 0.5763162278570373
Energy: 0.5650129901488871
Energy: 0.5763162278554776
Energy: 0.5446743891907015
Energy: 0.5451120178662954
Energy: 0.5572940992786786
Energy: 0.5451120178662954
Energy: 0.5677694289170316
Energy: 0.4994444028802108
Energy: 0.4635448247066292
Energy: 0.49944440288177044
Energy: 0.545036773060134
Energy: 0.4989050576609341
Energy: 0.4661504969286424
Energy: 0.4989050576578146
Energy: 0.6566132977521061
Energy: 0.5444839700240939
Energy: 0.5792817309037844
Energy: 0.5444839700240939

minimum gb energy = 0.46335780685885003 eV
minimum distance =  2.58494604223994 Angstroms
sigma value = 9


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

Energy: 0.6937930322526276
Energy: 0.6660870725860911
Energy: 0.6663019926613425
Energy: 0.6660870725860911
Energy: 0.577785986703504
Energy: 0.5216276719328148
Energy: 0.6866963147016851
Energy: 0.5216276719339694
Energy: 0.5166502379761683
Energy: 0.516345670535238
Energy: 0.6322156591067204
Energy: 0.5163456705346607
Energy: 0.5186575672816947
Energy: 0.5214971320598677
Energy: 0.6580415171924253
Energy: 0.521497132060445
Energy: 0.5172957766707885
Energy: 0.5151404978359272
Energy: 0.6695565567008036
Energy: 0.5151404978359272
Energy: 0.5702387588981053
Energy: 0.5154603463497566
Energy: 0.6601149010266619
Energy: 0.5154603463509111
Energy: 0.6676645544334998
Energy: 0.6577664129818748
Energy: 0.665551878480195
Energy: 0.6577664129807201
Energy: 0.6872412012038882
Energy: 0.6322877463865095
Energy: 0.6632285333316945
Energy: 0.6322877463865095
Energy: 0.5642143363214532
Energy: 0.5712823327163127
Energy: 0.5435350560598727
Energy: 0.5712823327168899
Energy: 0.499739274362835
Energy: 0.545892684791588
Energy: 0.6276009222278209
Energy: 0.5458926847910107
Energy: 0.5736325521236051
Energy: 0.5619866454884221
Energy: 0.6488254047680914
Energy: 0.5619866454889995
Energy: 0.5688485033052899
Energy: 0.5693609650976498
Energy: 0.6732498460166617
Energy: 0.5693609650964951
Energy: 0.6583555285187548
Energy: 0.5585590200091208
Energy: 0.6194581705416797
Energy: 0.5585590200091208
Energy: 0.6597959961691467
Energy: 0.5688331295229064
Energy: 0.5714020162055045
Energy: 0.5688331295223291
Energy: 0.6400262357344992
Energy: 0.5450790841997627
Energy: 0.549113290579486
Energy: 0.5450790841997627
Energy: 0.5859313405382456
Energy: 0.5675246569002766
Energy: 0.5491589929190707
Energy: 0.5675246568996993
Energy: 0.6494917236600993
Energy: 0.574725661836237
Energy: 0.5738757894669018
Energy: 0.5747256618356598
Energy: 0.6606468427120172
Energy: 0.6580911592320691
Energy: 0.6748624549006979
Energy: 0.6580911592326463
Energy: 0.6856283697036192
Energy: 0.6812946090383477
Energy: 0.6178747313648153
Energy: 0.6812946090371931
Energy: 0.6315254305639282
Energy: 0.516134080557835
Energy: 0.5166236927481774
Energy: 0.5161340805589898
Energy: 0.658317774590664
Energy: 0.5215411558010711
Energy: 0.5187111640231881
Energy: 0.5215411558016484
Energy: 0.6682712887055089
Energy: 0.5153906929601714
Energy: 0.515896484528937
Energy: 0.5153906929595942
Energy: 0.6696218393803397
Energy: 0.5156513386730938
Energy: 0.516621290333962
Energy: 0.5156513386736711
Energy: 0.6670117244798129
Energy: 0.6574114505168017
Energy: 0.6569179579748718
Energy: 0.6574114505179564
Energy: 0.6628135598396304
Energy: 0.6379953593673503
Energy: 0.6583071787279294
Energy: 0.6379953593679276
Energy: 0.5446459784011694
Energy: 0.5930284217404752
Energy: 0.5525282053072046
Energy: 0.5930284217404752
Energy: 0.6274569977585887
Energy: 0.5454580457137758
Energy: 0.49926420354955475
Energy: 0.5454580457143531
Energy: 0.6484861644594615
Energy: 0.5676069140596032
Energy: 0.5694250863860906
Energy: 0.5676069140607577
Energy: 0.6758151893588965
Energy: 0.5695327778704428
Energy: 0.5686823444921106
Energy: 0.5695327778692882
Energy: 0.6195980264762794
Energy: 0.5676136613728967
Energy: 0.6872168881863938
Energy: 0.5676136613717421
Energy: 0.5726621402079348
Energy: 0.5688643388825019
Energy: 0.6296606019273187
Energy: 0.5688643388819246
Energy: 0.5642966613232092
Energy: 0.5649008309072224
Energy: 0.6359661956649154
Energy: 0.5649008309066451
Energy: 0.5474539145339896
Energy: 0.5692304970352632
Energy: 0.586408336731365
Energy: 0.5692304970358404
Energy: 0.5679294439290029
Energy: 0.5757163990991354
Energy: 0.6004165342346635
Energy: 0.5757163991002899
Energy: 0.6731865858504927
Energy: 0.6574912171991676
Energy: 0.6612606998469129
Energy: 0.6574912171997447

minimum gb energy = 0.49926420354955475 eV
minimum distance =  2.58039261035728 Angstroms
sigma value = 73


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

Energy: 0.7367931876711346
Energy: 0.6382947725183536
Energy: 0.6395567516142718
Energy: 0.6382947725174378
Energy: 0.5634794462581483
Energy: 0.6451318295784885
Energy: 0.6314964095049611
Energy: 0.6451318295794043
Energy: 0.5283513579882733
Energy: 0.5282088486282889
Energy: 0.6072238721766225
Energy: 0.5282088486282889
Energy: 0.5284013443353751
Energy: 0.5403674024095324
Energy: 0.6315419031863123
Energy: 0.5403674024095324
Energy: 0.5293436732276708
Energy: 0.5292017555544049
Energy: 0.6724261661955111
Energy: 0.5292017555553208
Energy: 0.5675057821284032
Energy: 0.5289910310097148
Energy: 0.6713549049286525
Energy: 0.5289910310115258
Energy: 0.6189600411012534
Energy: 0.6324811444881184
Energy: 0.6461882369701805
Energy: 0.6324811444881184
Energy: 0.6184414576338753
Energy: 0.6077955289284609
Energy: 0.6323299092912763
Energy: 0.607795528927545
Energy: 0.5667556142656311
Energy: 0.5862100144274938
Energy: 0.618164532185604
Energy: 0.5862100144265779
Energy: 0.5320159301320883
Energy: 0.5803232808804998
Energy: 0.6190983249496087
Energy: 0.5803232808804998
Energy: 0.57195539946187
Energy: 0.5515792261130005
Energy: 0.5392663463503323
Energy: 0.5515792261139163
Energy: 0.5704372463191459
Energy: 0.5728808944739385
Energy: 0.6403770819267303
Energy: 0.5728808944748545
Energy: 0.6083170206130238
Energy: 0.55165868413739
Energy: 0.601120831059029
Energy: 0.5516586841355582
Energy: 0.6077433069892857
Energy: 0.5666741319873588
Energy: 0.5683491105838024
Energy: 0.566674131986443
Energy: 0.6280027309350844
Energy: 0.5298638949056073
Energy: 0.5367547841369658
Energy: 0.5298638949037754
Energy: 0.6706468389225276
Energy: 0.537910699829065
Energy: 0.5374971330695625
Energy: 0.5379106998272333
Energy: 0.6702064718879459
Energy: 0.5411632933208071
Energy: 0.5702702511469969
Energy: 0.5411632933198913
Energy: 0.6377521850779816
Energy: 0.6378011652034471
Energy: 0.6190986823836482
Energy: 0.6378011652034471
Energy: 0.6205294430964265
Energy: 0.6144630048468667
Energy: 0.6186358190712025
Energy: 0.6144630048468667
Energy: 0.581329540595525
Energy: 0.546015196593579
Energy: 0.5907955064000783
Energy: 0.5460151965926631
Energy: 0.5809696443673207
Energy: 0.5666705033883732
Energy: 0.5338439733659951
Energy: 0.5666705033892891
Energy: 0.6705364637200115
Energy: 0.6127399811066508
Energy: 0.6253579548725745
Energy: 0.6127399811075669

minimum gb energy = 0.5282088486282889 eV
minimum distance =  2.55134917946391 Angstroms
sigma value = 7


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

Energy: 0.8780428508506329
Energy: 0.6310717211945306
Energy: 0.6551228544251563
Energy: 0.6310717211932354
Energy: 0.562149621756142
Energy: 0.6099418498662874
Energy: 0.642710005742221
Energy: 0.6099418498675827
Energy: 0.5153254580911044
Energy: 0.5152643802490191
Energy: 0.560299488805809
Energy: 0.5152643802490191
Energy: 0.5169395642826818
Energy: 0.5257695614583517
Energy: 0.642742549003076
Energy: 0.5257695614583517
Energy: 0.5533836932730962
Energy: 0.5496266109191925
Energy: 0.616014990685394
Energy: 0.5496266109198402
Energy: 0.5513574316297679
Energy: 0.5499779664931101
Energy: 0.6172410496912967
Energy: 0.5499779664924624
Energy: 0.6726573505376451
Energy: 0.5645083788764325
Energy: 0.5507318008484587
Energy: 0.5645083788764325
Energy: 0.6729308054614549
Energy: 0.5500290412289511
Energy: 0.5505453140248862
Energy: 0.5500290412321893
Energy: 0.6820390384815231
Energy: 0.5259673437402373
Energy: 0.5147999391462688
Energy: 0.5259673437421802
Energy: 0.6164759141918285
Energy: 0.5143142262951014
Energy: 0.5140787269641067
Energy: 0.5143142262963967
Energy: 0.6877704638002691
Energy: 0.602881596214508
Energy: 0.5496516822410089
Energy: 0.6028815962164509
Energy: 0.6266953309913625
Energy: 0.6270711834322014
Energy: 0.6739675997754175
Energy: 0.6270711834367347
Energy: 0.6177082624623605
Energy: 0.5363883822347076
Energy: 0.636611633836012
Energy: 0.5363883822385935
Energy: 0.5638321579305559
Energy: 0.5337806199575655
Energy: 0.5091438734960376
Energy: 0.5337806199595084
Energy: 0.623091288431408
Energy: 0.5347063180840943
Energy: 0.547847781607713
Energy: 0.534706318089923
Energy: 0.7218991238884005
Energy: 0.6276476433389466
Energy: 0.6272593492096904
Energy: 0.6276476433434799
Energy: 0.7223677274599108
Energy: 0.6051957224940224
Energy: 0.6451973812088211
Energy: 0.60519572249467
Energy: 0.5572181150844926
Energy: 0.5145272978811712
Energy: 0.5605356373912874
Energy: 0.5145272978869998
Energy: 0.5157455125875072
Energy: 0.5252874782362658
Energy: 0.644203527606837
Energy: 0.5252874782343228
Energy: 0.5498813965313852
Energy: 0.54944228703235
Energy: 0.7240102305331204
Energy: 0.5494422870284644
Energy: 0.5517323838836133
Energy: 0.5641831524745812
Energy: 0.614652304552436
Energy: 0.5641831524758765
Energy: 0.6717565628390929
Energy: 0.5506140046361327
Energy: 0.6357387836587198
Energy: 0.5506140046348375
Energy: 0.6716782187841497
Energy: 0.5506478468513476
Energy: 0.5515265877554872
Energy: 0.550647846853938
Energy: 0.6406308667829143
Energy: 0.5266561981315498
Energy: 0.5182683440604692
Energy: 0.5266561981328451
Energy: 0.6160868155359401
Energy: 0.5150211890028251
Energy: 0.5142529008245663
Energy: 0.5150211890073585
Energy: 0.6650483955720538
Energy: 0.6112258200384395
Energy: 0.6349089515157188
Energy: 0.6112258200339062
Energy: 0.6269798504431677
Energy: 0.6289967438177907
Energy: 0.7464813806069173
Energy: 0.6289967438203813
Energy: 0.6173030366032651
Energy: 0.6021477373021691
Energy: 0.634228176473922
Energy: 0.6021477373021691
Energy: 0.5616794231443678
Energy: 0.5351337335516799
Energy: 0.5839714528339482
Energy: 0.5351337335497371
Energy: 0.6201789508666669
Energy: 0.5346777671950462
Energy: 0.5083102773900595
Energy: 0.5346777671911604
Energy: 0.7267715575814886
Energy: 0.6269670262344128
Energy: 0.6283489575643497
Energy: 0.6269670262382985

minimum gb energy = 0.5083102773900595 eV
minimum distance =  2.57364512097963 Angstroms
sigma value = 29


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

Energy: 0.4455779170940716
Energy: 0.5954127341944485
Energy: 0.522866473541454
Energy: 0.5954127341944485
Energy: 0.5879903287275893
Energy: 0.5045645257359175
Energy: 0.5437451867672954
Energy: 0.5045645257396772
Energy: 0.5874063817583968
Energy: 0.5606005203916281
Energy: 0.5171044119668354
Energy: 0.5606005203916281
Energy: 0.5230624622202438
Energy: 0.45609477505067997
Energy: 0.5863915272458312
Energy: 0.45609477506346335
Energy: 0.5196161600166253
Energy: 0.5209533975085892
Energy: 0.44596334165523777
Energy: 0.5209533975088148
Energy: 0.5860754814373451
Energy: 0.5595611652300195
Energy: 0.4458928737199718
Energy: 0.5595611652293678
Energy: 0.45111667294102176
Energy: 0.5608529288836026
Energy: 0.5866281964752295
Energy: 0.5608529288831765
Energy: 0.5435760384225934
Energy: 0.45616749272233825
Energy: 0.5806777494583699
Energy: 0.45616749272344115
Energy: 0.5228075520296438
Energy: 0.4583386287142155
Energy: 0.5180087564742025
Energy: 0.45833862871401493

minimum gb energy = 0.4455779170940716 eV
minimum distance =  2.62956474403314 Angstroms
sigma value = 5


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

Energy: 0.6563354979798568
Energy: 0.49269120845192177
Energy: 0.6198262001277011
Energy: 0.49269122365668333
Energy: 0.6295576678148719
Energy: 0.48412121396519736
Energy: 0.6268641869006296
Energy: 0.48412121396703267
Energy: 0.5819704399703174
Energy: 0.5201361377295677
Energy: 0.5681484729183348
Energy: 0.5201361377295677
Energy: 0.4914572771042656
Energy: 0.48363853669149487
Energy: 0.6391518200069304
Energy: 0.48363853669088314
Energy: 0.6245254482019741
Energy: 0.4941217455411168
Energy: 0.6830542671383635
Energy: 0.49412174554356386
Energy: 0.5067791192959262
Energy: 0.5012449254734089
Energy: 0.6826358304741139
Energy: 0.5012449254734089
Energy: 0.48354163369211334
Energy: 0.4832839180524591
Energy: 0.6380901712023338
Energy: 0.4832839180530709
Energy: 0.5062158238162092
Energy: 0.48423842782384374
Energy: 0.6433741500219243
Energy: 0.48423842782445553
Energy: 0.6075429375979854
Energy: 0.5618680539598382
Energy: 0.6595029147905032
Energy: 0.56186805396045
Energy: 0.5722180543941592
Energy: 0.47680604656991704
Energy: 0.4932204628385342
Energy: 0.47680604657052883
Energy: 0.6056124320984385
Energy: 0.4761447909722686
Energy: 0.5068146946198713
Energy: 0.47614479097288037
Energy: 0.6384759790878461
Energy: 0.4922221188455665
Energy: 0.4914861677831707
Energy: 0.4922221188455665
Energy: 0.6403570770076262
Energy: 0.5602234309644951
Energy: 0.6495759366350524
Energy: 0.5602234309632717
Energy: 0.6104284907121876
Energy: 0.5616522293721459
Energy: 0.5667475159922467
Energy: 0.5616522293721459
Energy: 0.48475376471679454
Energy: 0.4837967823393271
Energy: 0.5681110512383285
Energy: 0.4837967823393271
Energy: 0.5502016167573838
Energy: 0.4839836826486298
Energy: 0.6288619593743087
Energy: 0.4839836826492415
Energy: 0.5406311404412287
Energy: 0.5347798151439871
Energy: 0.5969877096842023
Energy: 0.5347798151476577
Energy: 0.6281174096713724
Energy: 0.4840868716012662
Energy: 0.5931967596363601
Energy: 0.4840868716012662
Energy: 0.56736976153474
Energy: 0.5216220934791149
Energy: 0.5837418121914686
Energy: 0.5216220934778913
Energy: 0.6378061066939393
Energy: 0.4832833806280526
Energy: 0.48965330585174877
Energy: 0.4832833806280526
Energy: 0.6836197483001826
Energy: 0.5014731593832733
Energy: 0.6223784027459799
Energy: 0.5014731593771556
Energy: 0.6838941949913575
Energy: 0.4918666975526948
Energy: 0.5067889352697963
Energy: 0.4918666975551419
Energy: 0.6398668898372265
Energy: 0.48341566179574175
Energy: 0.484868804815012
Energy: 0.48341566179574175
Energy: 0.6411623789076576
Energy: 0.484025863018573
Energy: 0.5040035239821351
Energy: 0.484025863018573
Energy: 0.6597206209258301
Energy: 0.5623044092335088
Energy: 0.605803878295613
Energy: 0.5623044092335088
Energy: 0.49542095256489804
Energy: 0.4765818344259151
Energy: 0.5723978143243732
Energy: 0.47658183442713864
Energy: 0.507537517546134
Energy: 0.4765153093367375
Energy: 0.607305656166682
Energy: 0.4765153093367375
Energy: 0.5059820503850657
Energy: 0.49179552752728256
Energy: 0.595291181486105
Energy: 0.49179552752728256
Energy: 0.65007310821674
Energy: 0.5604556559623012
Energy: 0.6416568016110152
Energy: 0.5604556559610776
Energy: 0.5672184294781936
Energy: 0.5622472212863804
Energy: 0.610829131638481
Energy: 0.5622472212857685
Energy: 0.5669606774523018
Energy: 0.4840817203429988
Energy: 0.4865630986138542
Energy: 0.48408172034422225
Energy: 0.6333490015827921
Energy: 0.4837011629174747
Energy: 0.48598709524697187
Energy: 0.4837011629180865
Energy: 0.5936675612309265
Energy: 0.5264034745948959
Energy: 0.49571921979773836
Energy: 0.5264034745948959

minimum gb energy = 0.4761447909722686 eV
minimum distance =  2.58873739299913 Angstroms
sigma value = 1


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

Energy: 0.7025733589077475
Energy: 0.46919955498891436
Energy: 0.6123841948811177
Energy: 0.46919955479613384
Energy: 0.6230749448380432
Energy: 0.46313562219400367
Energy: 0.5752485345526375
Energy: 0.46313562219400367
Energy: 0.5636401291450838
Energy: 0.5128029579796082
Energy: 0.5719122170583675
Energy: 0.5128029579796082
Energy: 0.4722715666121249
Energy: 0.46265947491972886
Energy: 0.6402363177727666
Energy: 0.4626594749172105
Energy: 0.5660151423895636
Energy: 0.4710455223285817
Energy: 0.6402868779557224
Energy: 0.47104552232773583
Energy: 0.4707056706581719
Energy: 0.4702838064324368
Energy: 0.6396778242208736
Energy: 0.47028380643328266
Energy: 0.46264974044165497
Energy: 0.46214600975114734
Energy: 0.6392636936750657
Energy: 0.4621460097528391
Energy: 0.4631613875387327
Energy: 0.46324324605421463
Energy: 0.6630083828279376
Energy: 0.46324324605167705
Energy: 0.6229060831179543
Energy: 0.4925282172537292
Energy: 0.6767373637812827
Energy: 0.4925282172537292
Energy: 0.58544303210728
Energy: 0.4635881093116543
Energy: 0.46639025320209976
Energy: 0.4635881093116543
Energy: 0.6231045630088297
Energy: 0.4622958532009772
Energy: 0.46240292232164953
Energy: 0.4622958532043414
Energy: 0.6623802547230658
Energy: 0.4633771899563808
Energy: 0.46342325984236166
Energy: 0.4633771899563808
Energy: 0.6623993382431815
Energy: 0.462903131225038
Energy: 0.5543332819734025
Energy: 0.4629031312165794
Energy: 0.6225544672903792
Energy: 0.46265553001136434
Energy: 0.5719376815397001
Energy: 0.46265553001136434
Energy: 0.47022543447555565
Energy: 0.5120025528077303
Energy: 0.5748360042769339
Energy: 0.5120025528085761
Energy: 0.4700149035637701
Energy: 0.46276741342396616
Energy: 0.6395997438981562
Energy: 0.46276741342227445
Energy: 0.5294345411964434
Energy: 0.5994051536650352
Energy: 0.6411698293375931
Energy: 0.5994051536658812
Energy: 0.4693012142181605
Energy: 0.4632909750257725
Energy: 0.6383976379043809
Energy: 0.46329097502746425
Energy: 0.48878145450606086
Energy: 0.46267610072385623
Energy: 0.6779125299130346
Energy: 0.46267610072554793
Energy: 0.4634975758218823
Energy: 0.5779148704848941
Energy: 0.6634379336027795
Energy: 0.5779148704882774
Energy: 0.5711098220581233
Energy: 0.49355353717935985
Energy: 0.6224948698062245
Energy: 0.493553537178514
Energy: 0.5698959109218638
Energy: 0.46342560679577505
Energy: 0.4647459334365423
Energy: 0.46342560679577505
Energy: 0.6223920028401604
Energy: 0.4622288327982257
Energy: 0.4640395985921373
Energy: 0.46222883279907145
Energy: 0.6623005805479031
Energy: 0.46321057175838176
Energy: 0.4625893507037619
Energy: 0.46321057176091934

minimum gb energy = 0.46214600975114734 eV
minimum distance =  2.58802228797062 Angstroms
sigma value = 17


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

Energy: 0.7569869261708435
Energy: 0.4992365689308745
Energy: 0.6207290706251974
Energy: 0.4992365899924152
Energy: 0.6533863434498194
Energy: 0.4644343500556975
Energy: 0.5421430946125212
Energy: 0.4644343500551747
Energy: 0.5997718548865033
Energy: 0.5627321127994246
Energy: 0.5363525300097628
Energy: 0.5627321127978561
Energy: 0.599497254455976
Energy: 0.49050828437771443
Energy: 0.603223833819444
Energy: 0.4905082843730091
Energy: 0.6425708989179811
Energy: 0.46155646169646736
Energy: 0.6571235280109394
Energy: 0.46155646169176207
Energy: 0.45854012277041434
Energy: 0.47140510368957345
Energy: 0.6826952274782595
Energy: 0.4714051036874822
Energy: 0.45944546238773465
Energy: 0.45797200215546174
Energy: 0.6255906150195102
Energy: 0.45797200215650735
Energy: 0.4642600187332104
Energy: 0.4586839205108253
Energy: 0.7046909492711615
Energy: 0.4586839205150078
Energy: 0.6394993292520045
Energy: 0.459017471308739
Energy: 0.6617934029779191
Energy: 0.45901747130612497
Energy: 0.5380030015334528
Energy: 0.4916339292216837
Energy: 0.544323331104301
Energy: 0.49163392922220656
Energy: 0.6536965826217813
Energy: 0.4641006156434932
Energy: 0.4683676836130232
Energy: 0.4641006156455844
Energy: 0.7360732515593061
Energy: 0.46559296054425386
Energy: 0.5616052138795772
Energy: 0.46559296054477667
Energy: 0.7392667284307155
Energy: 0.4984886453709874
Energy: 0.4998238295469024
Energy: 0.4984886452529268
Energy: 0.6824099626108374
Energy: 0.46393810123528606
Energy: 0.46588608269975246
Energy: 0.4639381012358089
Energy: 0.5975595801597298
Energy: 0.46492611776883724
Energy: 0.4700520162507699
Energy: 0.46492611776779164
Energy: 0.6997249394132472
Energy: 0.46482624762360897
Energy: 0.6671537566000584
Energy: 0.4648262476361565
Energy: 0.4642441616079136
Energy: 0.530890324078777
Energy: 0.6526073119720339
Energy: 0.5308903240808681
Energy: 0.4660641019348158
Energy: 0.46413410409400224
Energy: 0.6804783099561483
Energy: 0.464134104094525
Energy: 0.4824457667766582
Energy: 0.46501871038627407
Energy: 0.6602479840199686
Energy: 0.4650187103878425
Energy: 0.5851009249592714
Energy: 0.568875523503656
Energy: 0.7196717405849108
Energy: 0.5688755235088842
Energy: 0.5401568773194554
Energy: 0.4643801721946139
Energy: 0.6534089301817961
Energy: 0.4643801721925226
Energy: 0.537830846307383
Energy: 0.5643339005025267
Energy: 0.5979684020629183
Energy: 0.5643339005014811
Energy: 0.5984737076756146
Energy: 0.4891767471654831
Energy: 0.5976076278672842
Energy: 0.48917674716496035
Energy: 0.6589121053180583
Energy: 0.47138853380672363
Energy: 0.6650439579642571
Energy: 0.4713885338088149
Energy: 0.684679152838668
Energy: 0.45927231188224343
Energy: 0.4729752101466993
Energy: 0.45927231188276624
Energy: 0.6255831523347516
Energy: 0.45836836637921013
Energy: 0.46137913674053693
Energy: 0.45836836637711886
Energy: 0.7213192107872505
Energy: 0.4592947339810575
Energy: 0.46612871453469135
Energy: 0.4592947339789662
Energy: 0.6585854650792402
Energy: 0.554324597115082
Energy: 0.6505291245035938
Energy: 0.5543245971145593
Energy: 0.5425837639741694
Energy: 0.5703437447369568
Energy: 0.5361324227350562
Energy: 0.5703437447374795
Energy: 0.46930700714487994
Energy: 0.4640063558646856
Energy: 0.6556771015662948
Energy: 0.46400635586207145
Energy: 0.5546645633804964
Energy: 0.464856109924257
Energy: 0.7351224007611119
Energy: 0.46485610992373416
Energy: 0.4977129954895815
Energy: 0.47925393503103236
Energy: 0.7364963061787776
Energy: 0.47925393502894115
Energy: 0.4642016575749906
Energy: 0.4638302771391218
Energy: 0.6804475322999147
Energy: 0.4638302771370305
Energy: 0.4712481240983691
Energy: 0.46501987911280795
Energy: 0.5984219201860411
Energy: 0.4650198791112395
Energy: 0.6682237000302198
Energy: 0.46472789019330135
Energy: 0.6985619275934892
Energy: 0.4647278901922557
Energy: 0.6810613659910192
Energy: 0.4649200366543878
Energy: 0.4653207156485902
Energy: 0.46492003665491066
Energy: 0.6859544298717597
Energy: 0.4641351171266557
Energy: 0.46472323013370376
Energy: 0.4641351171256102
Energy: 0.66270627052797
Energy: 0.4654261248897071
Energy: 0.5165821635094796
Energy: 0.46542612489075275

minimum gb energy = 0.45797200215546174 eV
minimum distance =  2.57423980459031 Angstroms
sigma value = 89


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

Energy: 0.7970608002960229
Energy: 0.41963137160233743
Energy: 0.42283950486394273
Energy: 0.4196313716406399
Energy: 0.5699853869075301
Energy: 0.4619121093642928
Energy: 0.5653156470088665
Energy: 0.4619121093642928
Energy: 0.4148314842418494
Energy: 0.46246829369685677
Energy: 0.569084098327785
Energy: 0.46246829369685677
Energy: 0.41731794352642454
Energy: 0.46390517018635175
Energy: 0.5695968726332122
Energy: 0.46390517018635175
Energy: 0.5695458465200088
Energy: 0.4209050019980026
Energy: 0.5664967390506469
Energy: 0.4209050019980026
Energy: 0.42002367987645856
Energy: 0.4208888165361543
Energy: 0.566253062903749
Energy: 0.4208888165361543
Energy: 0.4196417715389882
Energy: 0.4190727637417723
Energy: 0.7124242582483503
Energy: 0.4190727637417723
Energy: 0.419957114470372
Energy: 0.420209457202657
Energy: 0.7046617774249923
Energy: 0.420209457202657
Energy: 0.5634263520077866
Energy: 0.4197619898139159
Energy: 0.7060545535588022
Energy: 0.4197619898139159
Energy: 0.5710137421994361
Energy: 0.46531956651084894
Energy: 0.5697398060188837
Energy: 0.46531956651084894
Energy: 0.5627379639559354
Energy: 0.46248482363518195
Energy: 0.41434592437383866
Energy: 0.46248482363518195
Energy: 0.5666291531077211
Energy: 0.42020732865618543
Energy: 0.5702782609216698
Energy: 0.42020732865618543
Energy: 0.5670052256948739
Energy: 0.42136327716784827
Energy: 0.438810570251008
Energy: 0.42136327716784827
Energy: 0.7111672088693247
Energy: 0.4188335015749292
Energy: 0.41889106562177864
Energy: 0.4188335015749292
Energy: 0.7049783216472383
Energy: 0.41972006610359813
Energy: 0.42199910040419625
Energy: 0.41972006610223017

minimum gb energy = 0.41434592437383866 eV
minimum distance =  2.60683389152941 Angstroms
sigma value = 13


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

Energy: 0.7125259645404312
Energy: 0.41356224365234945
Energy: 0.41382866513702915
Energy: 0.4135619227649809
Energy: 0.6457057526927589
Energy: 0.41434190154435313
Energy: 0.5028209876751458
Energy: 0.41434190154320644
Energy: 0.6731023539187315
Energy: 0.4138115699311827
Energy: 0.4892300136697287
Energy: 0.4138115699351962
Energy: 0.5510229600014337
Energy: 0.41377187616232797
Energy: 0.5834883131130302
Energy: 0.4137718761674882
Energy: 0.6681876972459219
Energy: 0.4135666536462509
Energy: 0.6142694404228672
Energy: 0.4135666536473976
Energy: 0.49222678318258994
Energy: 0.41404899289856634
Energy: 0.6141092992357481
Energy: 0.41404899289971303
Energy: 0.48972251163185193
Energy: 0.4139833461130204
Energy: 0.7438875798333773
Energy: 0.41398334611646054
Energy: 0.48914164631747703
Energy: 0.429771925453551
Energy: 0.7190937531809555
Energy: 0.4297719254546977
Energy: 0.41890230736410494
Energy: 0.4148545451634203
Energy: 0.7438011742960806
Energy: 0.4148545451634203
Energy: 0.4161899824607237
Energy: 0.41415995829168056
Energy: 0.7412292004335116
Energy: 0.41415995829110724
Energy: 0.4140458272831618
Energy: 0.41487302098621526
Energy: 0.7121876146550576
Energy: 0.4148730209930955
Energy: 0.616988865439931
Energy: 0.414247448136198
Energy: 0.7414144316909727
Energy: 0.4142474481287445
Energy: 0.6151224884605653
Energy: 0.43692590180374385
Energy: 0.6178084236198786
Energy: 0.43692590180489055
Energy: 0.6495154702866995
Energy: 0.4386487449612434
Energy: 0.5543708099935825
Energy: 0.4386487449698437
Energy: 0.7167261738983723
Energy: 0.41473980963352414
Energy: 0.6228349064345534
Energy: 0.4147398096358175
Energy: 0.7166985867311977
Energy: 0.4147039455347249
Energy: 0.4144695659457443
Energy: 0.4147039455307113
Energy: 0.744416034937461
Energy: 0.4140949524447354
Energy: 0.4163945176192374
Energy: 0.4140949524430153
Energy: 0.6740234737664307
Energy: 0.4301162466538926
Energy: 0.4295240621980432
Energy: 0.4301162466538926
Energy: 0.755048019922892
Energy: 0.4147457481357022
Energy: 0.5058274319726485
Energy: 0.4147457481339821
Energy: 0.7161916047404627
Energy: 0.41376938400908164
Energy: 0.4839159161152976
Energy: 0.4137693840125218
Energy: 0.5522837640449743
Energy: 0.41432748447945794
Energy: 0.5025039854811487
Energy: 0.41432748447601786
Energy: 0.7161472928109466
Energy: 0.5268542158629522
Energy: 0.613780529730315
Energy: 0.5268542158623789
Energy: 0.4929843539571723
Energy: 0.4142884833928527
Energy: 0.6148203933907131
Energy: 0.4142884833905592
Energy: 0.41626366751212535
Energy: 0.41358152816993016
Energy: 0.7192461623600772
Energy: 0.41358152816591665
Energy: 0.5033563640954918
Energy: 0.41469204933777254
Energy: 0.7158096186599181
Energy: 0.4146920493371992
Energy: 0.4344851687170815
Energy: 0.4150109532929212
Energy: 0.7155725372603078
Energy: 0.4150109532929212
Energy: 0.4140107996952384
Energy: 0.41368135741940193
Energy: 0.740046638491795
Energy: 0.41368135741768186
Energy: 0.41411056930137824
Energy: 0.4150111836438964
Energy: 0.6745618606689923
Energy: 0.4150111836410297
Energy: 0.6190526972875989
Energy: 0.4145849536871385
Energy: 0.7550143881034427
Energy: 0.41458495369287207
Energy: 0.4832611066728772
Energy: 0.4389876334559182
Energy: 0.6207518992068767
Energy: 0.43898763345133135
Energy: 0.622504908894314
Energy: 0.44091699885190383
Energy: 0.5524960964111916
Energy: 0.44091699885190383
Energy: 0.7166508588329173
Energy: 0.41448049762830963
Energy: 0.6205430506909799
Energy: 0.4144804976334698
Energy: 0.7170074239324588
Energy: 0.41500538081392807
Energy: 0.41551542979017037
Energy: 0.4150053808110613
Energy: 0.7411528719640345
Energy: 0.4136406129587899
Energy: 0.41427002898516696
Energy: 0.41364061295649646
Energy: 0.760401422007752
Energy: 0.4298941278437086
Energy: 0.43115486410928777
Energy: 0.42989412783854836

minimum gb energy = 0.4135619227649809 eV
minimum distance =  2.58841962028558 Angstroms
sigma value = 37


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

Energy: 0.6162467446217239
Energy: 0.37962310367319024
Energy: 0.37940020965106
Energy: 0.3796231035785368
Energy: 0.6873765632695044
Energy: 0.3798158585037662
Energy: 0.5010367693727633
Energy: 0.3798158585037662
Energy: 0.6128040196749924
Energy: 0.5103003296417039
Energy: 0.4993044223615604
Energy: 0.5103003296417039
Energy: 0.6118713500986707
Energy: 0.3791417683478721
Energy: 0.6302193877961351
Energy: 0.3791417683478721
Energy: 0.6305451837162811
Energy: 0.4226653616396562
Energy: 0.4941586236292749
Energy: 0.4226653616406426
Energy: 0.501229530432889
Energy: 0.3799463612753567
Energy: 0.6877006344911822
Energy: 0.3799463612743702
Energy: 0.37696399499810285
Energy: 0.3794227682991416
Energy: 0.6865528759242683
Energy: 0.3794227682991416
Energy: 0.49969622262274194
Energy: 0.3809139920530001
Energy: 0.6850426948733019
Energy: 0.3809139920530001
Energy: 0.3796023717846765
Energy: 0.3801374989901858
Energy: 0.6834778491602957
Energy: 0.3801374989891993
Energy: 0.37973594808319133
Energy: 0.3796474510043803
Energy: 0.7551882240770169
Energy: 0.3796474510043803
Energy: 0.37935440858103214
Energy: 0.3796230959074393
Energy: 0.6162467446227103
Energy: 0.37962309612434403
Energy: 0.5010367693727633
Energy: 0.37981585850475263
Energy: 0.6873765632685179
Energy: 0.3798158584869967
Energy: 0.4993044223615604
Energy: 0.5103003296417039
Energy: 0.6128040196749924
Energy: 0.5103003296407175
Energy: 0.6302193877961351
Energy: 0.3791417683517954
Energy: 0.6118713500996571
Energy: 0.37914176834885854
Energy: 0.49415862362828844
Energy: 0.4226653616396562
Energy: 0.6305451837182541
Energy: 0.4226653616386698
Energy: 0.6877006344911822
Energy: 0.37994636127732956
Energy: 0.37685983276729373
Energy: 0.3799463612743702
Energy: 0.6865528759203225
Energy: 0.3794227682991416
Energy: 0.37696399499810285
Energy: 0.37942276829815513
Energy: 0.6850426948733019
Energy: 0.3809139920530001
Energy: 0.49969622262274194
Energy: 0.3809139920530001
Energy: 0.6834778491602957
Energy: 0.3801374989901858
Energy: 0.3796023717856629
Energy: 0.3801374989901858
Energy: 0.7551882240780033
Energy: 0.3796474510063531
Energy: 0.37973594808516414
Energy: 0.3796474510063531

minimum gb energy = 0.37685983276729373 eV
minimum distance =  2.60305687898023 Angstroms
sigma value = 25


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

Energy: 0.7374046762830658
Energy: 0.3493813688740824
Energy: 0.349327150652694
Energy: 0.3493813688871772
Energy: 0.7217632364367323
Energy: 0.3501364271877693
Energy: 0.4479687068560468
Energy: 0.3501364271877693
Energy: 0.6571806920441691
Energy: 0.3501996474209079
Energy: 0.43924239399986154
Energy: 0.3501996474232188
Energy: 0.5200278478308427
Energy: 0.35049045569980675
Energy: 0.5894547617354836
Energy: 0.350490455700577
Energy: 0.668367392370883
Energy: 0.46893162522019116
Energy: 0.6028501014978161
Energy: 0.46893162521942094
Energy: 0.5404195648584248
Energy: 0.5595053216141986
Energy: 0.6009469537898992
Energy: 0.5595053216141986
Energy: 0.5230394632383192
Energy: 0.46885755946626667
Energy: 0.7238111681225371
Energy: 0.46885755946703694
Energy: 0.5885489297401043
Energy: 0.3509018421028452
Energy: 0.5938976298912622
Energy: 0.35090184210130465
Energy: 0.44672699662807647
Energy: 0.35055007550829465
Energy: 0.7227549416778739
Energy: 0.3505500755159975
Energy: 0.44882252304126086
Energy: 0.3500132479374698
Energy: 0.7880243907916595
Energy: 0.35001324793592925
Energy: 0.34993334131735115
Energy: 0.3518419791144731
Energy: 0.6306506283551286
Energy: 0.35184197911524334
Energy: 0.35284080653183425
Energy: 0.349574971761492
Energy: 0.7883105396387089
Energy: 0.3495749717599515
Energy: 0.35006365122707367
Energy: 0.3498958096353883
Energy: 0.7848778264231808
Energy: 0.34989580963461797
Energy: 0.435983229902294
Energy: 0.3512729597282098
Energy: 0.6560721396844881
Energy: 0.3512729597266692
Energy: 0.4382991680060143
Energy: 0.3497417923223795
Energy: 0.7863690890269066
Energy: 0.3497417923223795
Energy: 0.44887314738559225
Energy: 0.35001659567372645
Energy: 0.6577234636468066
Energy: 0.35001659567372645
Energy: 0.5870440941728607
Energy: 0.3506054756899192
Energy: 0.6620071308164559
Energy: 0.35060547568375694
Energy: 0.4352532795047411
Energy: 0.4671408264611634
Energy: 0.6675263694859712
Energy: 0.46714082646039307
Energy: 0.6021970908424562
Energy: 0.5603093464245734
Energy: 0.5325036965808944
Energy: 0.5603093464245734
Energy: 0.72183900203609
Energy: 0.46790988510686116
Energy: 0.5394724822829249
Energy: 0.46790988510763143
Energy: 0.6306407781228238
Energy: 0.35112289861837714
Energy: 0.4350936564414199
Energy: 0.35112289861914736
Energy: 0.7222052848283483
Energy: 0.3493116992970113
Energy: 0.35024063160969543
Energy: 0.3493116992977816
Energy: 0.7204450277251795
Energy: 0.3504094628443717
Energy: 0.44740257599779515
Energy: 0.3504094628443717
Energy: 0.5918948895216278
Energy: 0.3514528521253587
Energy: 0.35055974792850486
Energy: 0.3514528521253587
Energy: 0.785240719537098
Energy: 0.3495325612367656
Energy: 0.35008603612482664
Energy: 0.34953256123753595
Energy: 0.6574567410298283
Energy: 0.3502328170258418
Energy: 0.35233492416682044
Energy: 0.3502328170266121

minimum gb energy = 0.3493116992970113 eV
minimum distance =  2.59989381787577 Angstroms
sigma value = 41


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

Energy: 0.8109240947088423
Energy: 0.32556769508731487
Energy: 0.3245973024322506
Energy: 0.32556476348245544
Energy: 0.7443497744578741
Energy: 0.32530010264910925
Energy: 0.3983171854300847
Energy: 0.32530010264974074
Energy: 0.6888088682213334
Energy: 0.32700026189516396
Energy: 0.3982493930432933
Energy: 0.3270002618995845
Energy: 0.5873217221202395
Energy: 0.32573945499572415
Energy: 0.52578085999828
Energy: 0.3257394549944611
Energy: 0.6967859008148043
Energy: 0.43158693816444765
Energy: 0.536503287081148
Energy: 0.4315869381650792
Energy: 0.5829540683546822
Energy: 0.515872044018894
Energy: 0.5363060758172318
Energy: 0.5158720440182624
Energy: 0.585157264709777
Energy: 0.5208791906464862
Energy: 0.6429121272416078
Energy: 0.5208791906464862
Energy: 0.5964299565300512
Energy: 0.4329687878838047
Energy: 0.5251090715022623
Energy: 0.4329687878838047
Energy: 0.4648345570676876
Energy: 0.5183862678260093
Energy: 0.637319862944686
Energy: 0.5183862678260093
Energy: 0.46555679898784963
Energy: 0.4343027720526148
Energy: 0.7444003908915139
Energy: 0.43430277205324636
Energy: 0.39443170231868696
Energy: 0.3252830505097716
Energy: 0.6361532821245044
Energy: 0.32528305050850853
Energy: 0.3942382271467296
Energy: 0.32420677725815733
Energy: 0.7445406391314097
Energy: 0.3242067772575258
Energy: 0.39674507592774166
Energy: 0.32551425464653416
Energy: 0.7443265574208305
Energy: 0.3255142546484287
Energy: 0.32519439353384855
Energy: 0.32595777267928255
Energy: 0.6428240344545889
Energy: 0.325957772679914
Energy: 0.3264148614523291
Energy: 0.3254831024641224
Energy: 0.8019800215328211
Energy: 0.3254831024634908
Energy: 0.3254586507611184
Energy: 0.32569862280529394
Energy: 0.6899760859448224
Energy: 0.32569862280589673
Energy: 0.39838381147338325
Energy: 0.3258464367688944
Energy: 0.6939951077624092
Energy: 0.3258464367695259
Energy: 0.3937075377340375
Energy: 0.32463056348182295
Energy: 0.7476940537578399
Energy: 0.32463056348182295
Energy: 0.39408665211299
Energy: 0.32620550358948686
Energy: 0.5839788156697128
Energy: 0.32620550359011835
Energy: 0.525199074919031
Energy: 0.3270760802861188
Energy: 0.5824433043827837
Energy: 0.3270760802861188
Energy: 0.5279186968671723
Energy: 0.43338057323025386
Energy: 0.6419963683253166
Energy: 0.4333805732289908
Energy: 0.5261470773933601
Energy: 0.4321763154598412
Energy: 0.5870859288858482
Energy: 0.4321763154585782
Energy: 0.6371287144706481
Energy: 0.3512892543087414
Energy: 0.5834359724418162
Energy: 0.3512892543371592
Energy: 0.5246795841701847
Energy: 0.4326600399526771
Energy: 0.5331526752146893
Energy: 0.43266003995520314
Energy: 0.6414392362442517
Energy: 0.4331855006448914
Energy: 0.46194055381276095
Energy: 0.4331855006448914
Energy: 0.6368588343815139
Energy: 0.32675353877714314
Energy: 0.5243319623751881
Energy: 0.32675353878093216
Energy: 0.6397983761677762
Energy: 0.32586351945374853
Energy: 0.39647983293924083
Energy: 0.32586351945753755
Energy: 0.7493289563603602
Energy: 0.3245365060693283
Energy: 0.3948093843894895
Energy: 0.3245365060693283
Energy: 0.638600280855657
Energy: 0.32560737668521683
Energy: 0.3943317464546364
Energy: 0.3256073766839538
Energy: 0.6372627871370963
Energy: 0.3254558270215914
Energy: 0.32523885093053817
Energy: 0.32545582702095993
Energy: 0.8011069119378564
Energy: 0.3251583089934469
Energy: 0.3258689395971096
Energy: 0.3251583089934469
Energy: 0.6878838526043208
Energy: 0.3258229151001955
Energy: 0.3258192742339083
Energy: 0.3258229151001955

minimum gb energy = 0.3242067772575258 eV
minimum distance =  2.59766698758048 Angstroms
sigma value = 15


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

Energy: 0.7037871876275318
Energy: 0.3054343588802137
Energy: 0.305848286359772
Energy: 0.3053912088821699
Energy: 0.760010313312987
Energy: 0.30453332321612575
Energy: 0.3668487481243382
Energy: 0.30453332321826565
Energy: 0.7119726987595323
Energy: 0.30810200029029416
Energy: 0.3663187091932731
Energy: 0.30810200029029416
Energy: 0.6228194328124417
Energy: 0.30887035683033226
Energy: 0.4757055758526022
Energy: 0.30887035684312303
Energy: 0.7207227081384878
Energy: 0.400349102793286
Energy: 0.4746911329001721
Energy: 0.400349102793286
Energy: 0.6167193584848262
Energy: 0.403036630432291
Energy: 0.48710286215060156
Energy: 0.4030366304665292
Energy: 0.5270689580650862
Energy: 0.400428089013683
Energy: 0.5801094354124632
Energy: 0.40042808901100807
Energy: 0.6263024576443229
Energy: 0.4894808609137463
Energy: 0.4761934172003364
Energy: 0.4894808609153512
Energy: 0.5266659161534207
Energy: 0.48889644532051946
Energy: 0.5735892219550084
Energy: 0.4888964453189146
Energy: 0.526085764274194
Energy: 0.4918896130741614
Energy: 0.6660356449270307
Energy: 0.4918896130741614
Energy: 0.47555870689980906
Energy: 0.40176207249655704
Energy: 0.5794123519226845
Energy: 0.4017620724954871
Energy: 0.4191924342574124
Energy: 0.47781329846923637
Energy: 0.666580880379165
Energy: 0.47781329846977133
Energy: 0.47719092975822786
Energy: 0.3087774625377986
Energy: 0.6643684819250768
Energy: 0.30877746253351884
Energy: 0.3666974443214978
Energy: 0.30905830153509756
Energy: 0.5755763123908811
Energy: 0.30905830153509756
Energy: 0.36288278367028765
Energy: 0.30575022277554853
Energy: 0.7605296199363974
Energy: 0.3057502227712688
Energy: 0.36581450691651035
Energy: 0.3052561021229371
Energy: 0.6661297899415662
Energy: 0.30525610212133214
Energy: 0.30512842619927033
Energy: 0.3053406291185533
Energy: 0.669181222952752
Energy: 0.3053406291196232
Energy: 0.3043459325741415
Energy: 0.3047602350445567
Energy: 0.8088664556597206
Energy: 0.30476023504348676
Energy: 0.3044344838150611
Energy: 0.3051661845649913
Energy: 0.6193179942255096
Energy: 0.3051661845644564
Energy: 0.3677337634313498
Energy: 0.30519087694506697
Energy: 0.7154527443687664
Energy: 0.3051908769423921
Energy: 0.36088309282824366
Energy: 0.3059019854156067
Energy: 0.7626942870775697
Energy: 0.3059019854156067
Energy: 0.36126061747727456
Energy: 0.30855538273212163
Energy: 0.6215840478010235
Energy: 0.30855538272944677
Energy: 0.47454536008586434
Energy: 0.305671916251275
Energy: 0.6167133174701014
Energy: 0.3056719162486002
Energy: 0.4753354313532317
Energy: 0.4764360112087194
Energy: 0.6690310979881177
Energy: 0.4764360112087194
Energy: 0.47552337365708974
Energy: 0.40084208547135913
Energy: 0.5301421857914497
Energy: 0.40084208547242917
Energy: 0.5719346165854148
Energy: 0.49169308916828064
Energy: 0.6665269077193129
Energy: 0.49169308916774557
Energy: 0.475107254747665
Energy: 0.48658537885314274
Energy: 0.5755544541473486
Energy: 0.48658537885314274
Energy: 0.627094561263932
Energy: 0.48973167936475015
Energy: 0.5302184615986488
Energy: 0.48973167936475015
Energy: 0.5731098537808108
Energy: 0.4041217715596355
Energy: 0.5783930199548543
Energy: 0.4041217715601705
Energy: 0.572583687877384
Energy: 0.4754640016406438
Energy: 0.4786715209117985
Energy: 0.475464001637969
Energy: 0.7204657077572022
Energy: 0.40097494442461074
Energy: 0.4193660198477106
Energy: 0.40097494442300585
Energy: 0.5753805676182325
Energy: 0.3091257478373006
Energy: 0.4832937751249277
Energy: 0.3091257478373006
Energy: 0.6645314284622023
Energy: 0.3088837541002264
Energy: 0.36611431629649305
Energy: 0.3088837541007614
Energy: 0.7163840785969803
Energy: 0.304670947466782
Energy: 0.3649088997418425
Energy: 0.304670947466782
Energy: 0.6766081740116341
Energy: 0.3055732328265031
Energy: 0.36345713858333584
Energy: 0.3055732328259682
Energy: 0.7590837290071212
Energy: 0.3050180745060322
Energy: 0.30888092261033734
Energy: 0.30501807450496227
Energy: 0.7115216547843302
Energy: 0.305148433822076
Energy: 0.3098334764479084
Energy: 0.30514843382100604

minimum gb energy = 0.3043459325741415 eV
minimum distance =  2.59606572667329 Angstroms
sigma value = 85


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

Energy: 0.7442738978353186
Energy: 0.2744305072840451
Energy: 0.2742146917882966
Energy: 0.27443050698446003
Energy: 0.7615969684624768
Energy: 0.274246137271221
Energy: 0.3237598466311647
Energy: 0.27424613727168495
Energy: 0.6320240556796491
Energy: 0.27489399796236447
Energy: 0.3235602245856473
Energy: 0.2748939979591166
Energy: 0.548632058863717
Energy: 0.2752332040919975
Energy: 0.4231191996813142
Energy: 0.2752332040915335
Energy: 0.7252038481864311
Energy: 0.3599185240599991
Energy: 0.423037020462124
Energy: 0.3599185240604631
Energy: 0.548476662727894
Energy: 0.27446335475767414
Energy: 0.42354593445106314
Energy: 0.274463354759066
Energy: 0.5508164522658384
Energy: 0.37030375805860993
Energy: 0.5102735600143863
Energy: 0.37030375805953786
Energy: 0.6443887845634128
Energy: 0.44343461556434133
Energy: 0.4224829213021571
Energy: 0.4434346155638774
Energy: 0.5499133134075299
Energy: 0.4412109223050984
Energy: 0.5130524663232453
Energy: 0.4412109223050984
Energy: 0.5494648201922285
Energy: 0.4493483096706701
Energy: 0.594255005017839
Energy: 0.4493483096706701
Energy: 0.5105777794082121
Energy: 0.44427411897721236
Energy: 0.5098725736075385
Energy: 0.4442741189762844
Energy: 0.4708846612860863
Energy: 0.44287614628030414
Energy: 0.5949064349818719
Energy: 0.4428761462798402
Energy: 0.511294199902396
Energy: 0.4437274038689918
Energy: 0.5915524640705166
Energy: 0.4437274038694558
Energy: 0.4233450363324701
Energy: 0.3622732316341229
Energy: 0.5113232019490593
Energy: 0.3622732316336588
Energy: 0.372453062354532
Energy: 0.359770734749786
Energy: 0.6795564201530415
Energy: 0.359770734749786
Energy: 0.42286570713669347
Energy: 0.2750362494661229
Energy: 0.5907694878660735
Energy: 0.27503624946658684
Energy: 0.32375688808743086
Energy: 0.2753866099393405
Energy: 0.5903466805539985
Energy: 0.27538660993980446
Energy: 0.3235001766085301
Energy: 0.27412579623940125
Energy: 0.7636704061006356
Energy: 0.27412579623893724
Energy: 0.32598448797381285
Energy: 0.2751709003116949
Energy: 0.6745330395717084
Energy: 0.2751709003116949
Energy: 0.2743446784399036
Energy: 0.27514904177898714
Energy: 0.6768997870348819
Energy: 0.27514904177898714
Energy: 0.2749861439048799
Energy: 0.2747188437500999
Energy: 0.7626336501022192
Energy: 0.2747188437491719
Energy: 0.27430052068389793
Energy: 0.27579005810380963
Energy: 0.6315334913329326
Energy: 0.27579005810380963
Energy: 0.3239252657203273
Energy: 0.27486185836976684
Energy: 0.7190445547168983
Energy: 0.2748618583683749
Energy: 0.3252225023025524
Energy: 0.27549583597716937
Energy: 0.7608870809713123
Energy: 0.27549583597670546
Energy: 0.32345506345814745
Energy: 0.2750767291737166
Energy: 0.5482969945589556
Energy: 0.2750767291718818
Energy: 0.42380948220664516
Energy: 0.2752240927528936
Energy: 0.7185270594356354
Energy: 0.2752240927487178
Energy: 0.42344137196762055
Energy: 0.2743734622734821
Energy: 0.6337512140820827
Energy: 0.27437346227441006
Energy: 0.5101092658762781
Energy: 0.35980714945197656
Energy: 0.5485363687858068
Energy: 0.35980714945383246
Energy: 0.5112334783970874
Energy: 0.4437621392778549
Energy: 0.6779519196518853
Energy: 0.44376213927739094
Energy: 0.5107785065579339
Energy: 0.4453310991595777
Energy: 0.5500371460751282
Energy: 0.4453310991591138
Energy: 0.5919830951301707
Energy: 0.4441782499048838
Energy: 0.47059383021890505
Energy: 0.44417824990441984
Energy: 0.5124519744410758
Energy: 0.44874406738993183
Energy: 0.5923919408796665
Energy: 0.4487440673894678
Energy: 0.5925373469589921
Energy: 0.4411507555079764
Energy: 0.4705004101631127
Energy: 0.4411507555075124
Energy: 0.6780182014860113
Energy: 0.44401794102536096
Energy: 0.46996495151277173
Energy: 0.44401794102536096
Energy: 0.5094794295249256
Energy: 0.36025451581104817
Energy: 0.5106897443744509
Energy: 0.36025451581104817
Energy: 0.6772315157129501
Energy: 0.3602050613075576
Energy: 0.42371049911370634
Energy: 0.3602050613075576
Energy: 0.675608230620722
Energy: 0.27523976563120395
Energy: 0.4239764481920753
Energy: 0.2752397656274921
Energy: 0.5902567615195277
Energy: 0.2752149265434762
Energy: 0.324057310467234
Energy: 0.27521492654208424
Energy: 0.7617591430052949
Energy: 0.2754282401729343
Energy: 0.32406368836161026
Energy: 0.2754282401738622
Energy: 0.6758956189775152
Energy: 0.2749807039242145
Energy: 0.32597501916230603
Energy: 0.2749807039242145
Energy: 0.5901690278926534
Energy: 0.27558503767789416
Energy: 0.27414474009049383
Energy: 0.2755850376783581
Energy: 0.8041091911664577
Energy: 0.27456954006269507
Energy: 0.274666858007508
Energy: 0.27456954006223105
Energy: 0.6337617253566596
Energy: 0.27525637597845587
Energy: 0.27442793717489694
Energy: 0.2752563759779919

minimum gb energy = 0.27412579623893724 eV
minimum distance =  2.59345385159559 Angstroms
sigma value = 113


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

Energy: 0.011788801316927661
Energy: 0.3547593136899424
Energy: 0.6602978889743014
Energy: 0.3547593136899424
Energy: 0.36896535648320145
Energy: 0.06393397813161165
Energy: 0.36904556277134776
Energy: 0.06393397813194852
Energy: 0.012318478313843972
Energy: 0.06271568320809551
Energy: 0.3675703055258917
Energy: 0.06271568320775864
Energy: 0.013196695313198704
Energy: 0.062254007365394055
Energy: 0.36938896139838306
Energy: 0.06225400736365027
Energy: 0.3713574839243585
Energy: 0.06360159928854485
Energy: 0.36916196903597703
Energy: 0.06360159928818816
Energy: 0.012023993314574693
Energy: 0.06288329518315519
Energy: 0.3675512665143778
Energy: 0.06288329518246165

minimum gb energy = 0.011788801316927661 eV
minimum distance =  2.81258644049121 Angstroms
sigma value = 1