Model name: model_name=EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000
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=4.03203821182251
cohesive_energy=3.36023026856906
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=[2.0226678915933e-19, 2.6751383040234594e-19, 3.0404185548091196e-19, 3.39920999022708e-19, 3.6789820740561597e-19, 3.9178666101855596e-19, 4.13462508699942e-19, 4.32207975317742e-19, 4.47939747686988e-19, 4.6185144740001e-19, 4.7418019659864e-19, 4.84531859830914e-19, 4.930842787032059e-19, 5.0058406752696e-19, 5.077714319070839e-19, 5.14548639068904e-19, 5.206913842836599e-19, 5.259192866404019e-19, 5.300657197691939e-19, 5.33223609914808e-19, 5.355499703873759e-19, 5.37131318725134e-19, 5.380365485233439e-19, 5.38326542494098e-19, 5.38004504990664e-19, 5.3691342270291e-19, 5.34853023551586e-19, 5.31680713816266e-19, 5.27285943309204e-19, 5.215469466062159e-19, 5.14390023582138e-19, 5.057494849949759e-19, 4.951687105040399e-19, 4.81957161980076e-19, 4.65251266217358e-19, 4.43793314558196e-19, 4.1596190424898195e-19, 3.79879284274668e-19, 3.33654886207134e-19, 2.75499078746202e-19, 2.0352449781701998e-19, 1.130766600801546e-19, -2.6537492459595595e-21, -1.495804922915472e-19]
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: 0.01041687438051086
Energy: 0.011026819670534508
Energy: 0.31946591350232456
Energy: 0.01102681967003033
Energy: 0.01102681967003033
Energy: 0.4218242472969418
Energy: 0.01102681967003033
Energy: 0.4218242472964376
Energy: 0.31946591350232456
Energy: 0.01102681967003033
Energy: 0.01041687438051086
Energy: 0.01102681967003033
Energy: 0.011026819670534508
Energy: 0.42182424729545726
Energy: 0.01102681967003033
Energy: 0.42182424729593343

minimum gb energy = 0.01041687438051086 eV
minimum distance =  2.8233294557133 Angstroms
sigma value = 1


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

Energy: 0.6895434158416379
Energy: 0.5080679317787703
Energy: 0.5587176236084519
Energy: 0.5080679317769361
Energy: 0.5030833969459678
Energy: 0.5440130126106635
Energy: 0.5063086184027767
Energy: 0.5440130126100521
Energy: 0.5581491569972654
Energy: 0.5564379845128554
Energy: 0.7481952141164442
Energy: 0.5564379845128554
Energy: 0.5059270956565394
Energy: 0.5045169046698171
Energy: 0.5070722025206138
Energy: 0.50451690467104
Energy: 0.6443072349205149
Energy: 0.5075038826044508
Energy: 0.5085799731037425
Energy: 0.5075038826050622
Energy: 0.5261725321903185
Energy: 0.5070129600987279
Energy: 0.5064382919618512
Energy: 0.5070129600993394
Energy: 0.5212156331309943
Energy: 0.5177312057453985
Energy: 0.5353855979157542
Energy: 0.5177312057460101
Energy: 0.5167073349595022
Energy: 0.5175385493338596
Energy: 0.5449318709693363
Energy: 0.5175385493338596
Energy: 0.5664624775228642
Energy: 0.5480292990806098
Energy: 0.5658992847559287
Energy: 0.5480292990799983
Energy: 0.5462348195229415
Energy: 0.5486123025858318
Energy: 0.526002170686074
Energy: 0.5486123025852204
Energy: 0.5926615933050439
Energy: 0.5530791822869481
Energy: 0.5670220678328584
Energy: 0.5530791822869481
Energy: 0.5163583378750516
Energy: 0.546140088529423
Energy: 0.5463606779856126
Energy: 0.5461400885288115
Energy: 0.5194841360816773
Energy: 0.5172857826167202
Energy: 0.5444049246374314
Energy: 0.5172857826173316
Energy: 0.5477814690737342
Energy: 0.5190048322233947
Energy: 0.5262601904038412
Energy: 0.5190048322233947
Energy: 0.5442658764980047
Energy: 0.5062838808851744
Energy: 0.5076935477341392
Energy: 0.5062838808851744
Energy: 0.5232265745666475
Energy: 0.5047074686051249
Energy: 0.5067881932908879
Energy: 0.5047074686057363
Energy: 0.5580268331021353
Energy: 0.5568659686906463
Energy: 0.5413220358120036
Energy: 0.5568659686900349
Energy: 0.5064793821095763
Energy: 0.507768946981436
Energy: 0.502854484215616
Energy: 0.5077689469808246
Energy: 0.544232930441137
Energy: 0.5568194944516414
Energy: 0.559731480863019
Energy: 0.5568194944510299
Energy: 0.5254914963642896
Energy: 0.5060329495158751
Energy: 0.5053350914086308
Energy: 0.5060329495152637
Energy: 0.508910416149088
Energy: 0.5072748858081568
Energy: 0.534461011887496
Energy: 0.5072748858075454
Energy: 0.5072186360279815
Energy: 0.5060401829060438
Energy: 0.526039528386584
Energy: 0.5060401829060438
Energy: 0.5715139377924077
Energy: 0.5178157608575049
Energy: 0.5223835153425048
Energy: 0.5178157608575049
Energy: 0.5452142805842588
Energy: 0.5178545428796232
Energy: 0.5200879341266393
Energy: 0.5178545428796232
Energy: 0.5656386596347678
Energy: 0.5465793063216522
Energy: 0.5667327321489826
Energy: 0.5465793063204292
Energy: 0.526828157272115
Energy: 0.5461117828203602
Energy: 0.5474334035167521
Energy: 0.5461117828203602
Energy: 0.5675447441997901
Energy: 0.5482056782790302
Energy: 0.5906094604282488
Energy: 0.5482056782796417
Energy: 0.5447836453453114
Energy: 0.5482004557787052
Energy: 0.5164408662748914
Energy: 0.5482004557780938
Energy: 0.544640150853453
Energy: 0.5173090848247739
Energy: 0.5198976889635295
Energy: 0.5173090848253855
Energy: 0.5263987840133922
Energy: 0.5190534361648854
Energy: 0.5471598906446371
Energy: 0.5190534361648854
Energy: 0.5078370509917803
Energy: 0.5056958121415277
Energy: 0.5445881932687486
Energy: 0.5056958121415277
Energy: 0.5067123555443678
Energy: 0.5045887713182251
Energy: 0.5229923905190986
Energy: 0.5045887713182251
Energy: 0.5229275373327356
Energy: 0.5560269981042529
Energy: 0.5560671517384402
Energy: 0.5560269981036415

minimum gb energy = 0.502854484215616 eV
minimum distance =  2.59590144593824 Angstroms
sigma value = 1


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

Energy: 0.7812915019364638
Energy: 0.5253831311009568
Energy: 0.5770395077291718
Energy: 0.5253831311044427
Energy: 0.5220651051706979
Energy: 0.5626536791779523
Energy: 0.5226248240943645
Energy: 0.5626536791793467
Energy: 0.5782451173234501
Energy: 0.5767031869070117
Energy: 0.7201571582317963
Energy: 0.576703186904223
Energy: 0.5220308623224819
Energy: 0.5215097361420397
Energy: 0.5224756346121755
Energy: 0.5215097361420397
Energy: 0.5631908291881906
Energy: 0.5226078589883864
Energy: 0.5227066357891079
Energy: 0.5226078589911751
Energy: 0.5678941479969045
Energy: 0.5212901478227314
Energy: 0.5222146854315979
Energy: 0.5212901478213371
Energy: 0.5449543688762483
Energy: 0.5412208357626767
Energy: 0.6117220526616114
Energy: 0.5412208357605851
Energy: 0.5394226539241387
Energy: 0.5409120863457951
Energy: 0.5631163500695578
Energy: 0.5409120863444007
Energy: 0.6078925899742218
Energy: 0.5759838489775924
Energy: 0.5676596822292999
Energy: 0.5759838489768951
Energy: 0.5640424165157966
Energy: 0.5781490244464259
Energy: 0.540870540156074
Energy: 0.5781490244485173
Energy: 0.6476524054519813
Energy: 0.5408112958859167
Energy: 0.5437794785805714
Energy: 0.540811295886614
Energy: 0.5462280307985535
Energy: 0.5422374105226845
Energy: 0.5686908610689196
Energy: 0.5422374105226845
Energy: 0.5232686199909119
Energy: 0.5215353734580407
Energy: 0.6450491915489651
Energy: 0.5215353734587379
Energy: 0.5219116579330407
Energy: 0.5225470618321331
Energy: 0.5404491680479339
Energy: 0.522547061831436
Energy: 0.5613868303864189
Energy: 0.5777931512939837
Energy: 0.5764347642716524
Energy: 0.5777931512939837
Energy: 0.5706360656661724
Energy: 0.5234471095075737
Energy: 0.5227104911538328
Energy: 0.5234471095075737
Energy: 0.5773842866204352
Energy: 0.5768002841153305
Energy: 0.5631970149913392
Energy: 0.5768002841174221
Energy: 0.5219137163753528
Energy: 0.5226494705249823
Energy: 0.5674778981529444
Energy: 0.5226494705263768
Energy: 0.5629645416888331
Energy: 0.5223728172039662
Energy: 0.5229604697021585
Energy: 0.5223728172004803
Energy: 0.5676757363067556
Energy: 0.5220893463743187
Energy: 0.5239368724202973
Energy: 0.5220893463764101
Energy: 0.5442510657261855
Energy: 0.5410688936482473
Energy: 0.6101829873419556
Energy: 0.5410688936447615
Energy: 0.5384633857310933
Energy: 0.541470787257436
Energy: 0.5641118311247003
Energy: 0.5414707872567388
Energy: 0.6084665788628317
Energy: 0.576423280900634
Energy: 0.5685744097104376
Energy: 0.5764232809069085
Energy: 0.5637584725354028
Energy: 0.5744060843239381
Energy: 0.5404724464936359
Energy: 0.5744060843169664
Energy: 0.644286252723847
Energy: 0.5408548656755156
Energy: 0.5449584183512874
Energy: 0.540854865685276
Energy: 0.5477087353775473
Energy: 0.5421218407082471
Energy: 0.5678374213038296
Energy: 0.5421218407075501
Energy: 0.5237696426891467
Energy: 0.5215318238793224
Energy: 0.644949043821294
Energy: 0.5215318238765337
Energy: 0.521571880806477
Energy: 0.5231289588518242
Energy: 0.5404388387346899
Energy: 0.5231289588525214
Energy: 0.5406161691931748
Energy: 0.5780589191205276
Energy: 0.5762407816621197
Energy: 0.5780589191247105

minimum gb energy = 0.5212901478213371 eV
minimum distance =  2.59755069208535 Angstroms
sigma value = 25


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

Energy: 0.7464095376976423
Energy: 0.537041143537912
Energy: 0.5956304706521462
Energy: 0.537041143537912
Energy: 0.5927618974251195
Energy: 0.5851080596963795
Energy: 0.5370582997497599
Energy: 0.5851080596971899
Energy: 0.5953656336531672
Energy: 0.5962025898750126
Energy: 0.6062858171369442
Energy: 0.596202589875823
Energy: 0.5640304421822255
Energy: 0.5848711106430436
Energy: 0.5684002506769865
Energy: 0.5848711106430436
Energy: 0.6054289361469023
Energy: 0.5365715207640531
Energy: 0.5367605303432167
Energy: 0.5365715207648636
Energy: 0.5889566188510853
Energy: 0.5374273710642379
Energy: 0.5514646776170314
Energy: 0.5374273710634274
Energy: 0.5762531639126617
Energy: 0.5797899917316345
Energy: 0.57790979775277
Energy: 0.5797899917316345
Energy: 0.559008490421389
Energy: 0.5807086330311966
Energy: 0.5818686346657256
Energy: 0.5807086330320069
Energy: 0.5778385118404952
Energy: 0.580113359475137
Energy: 0.6147616275905484
Energy: 0.5801133594759474
Energy: 0.5894015018899333
Energy: 0.5810018282437371
Energy: 0.549823492255671
Energy: 0.5810018282437371
Energy: 0.5567810302327689
Energy: 0.5366444359608437
Energy: 0.5381750259831588
Energy: 0.5366444359608437
Energy: 0.5578395013850175
Energy: 0.5384651161924798
Energy: 0.5676376872951314
Energy: 0.5384651161932902
Energy: 0.5949802430565827
Energy: 0.5962327655920401
Energy: 0.5800906721862031
Energy: 0.5962327655944715
Energy: 0.5675781649080156
Energy: 0.5392749253474881
Energy: 0.5931479022775669
Energy: 0.5392749253474881
Energy: 0.6036586192394229
Energy: 0.596015507518162
Energy: 0.5966896608376133
Energy: 0.596015507518162
Energy: 0.5880060760565597
Energy: 0.5385947356886048
Energy: 0.5649377317787442
Energy: 0.5385947356886048
Energy: 0.5384813797042125
Energy: 0.5365896759337068
Energy: 0.6053088479955961
Energy: 0.5365896759337068
Energy: 0.5368386206056348
Energy: 0.5375345834246541
Energy: 0.5889704283884859
Energy: 0.5375345834246541
Energy: 0.5777956836865679
Energy: 0.5795780868232169
Energy: 0.5777839637229681
Energy: 0.5795780868240273
Energy: 0.5828573129100352
Energy: 0.5798217049045554
Energy: 0.5613071280726867
Energy: 0.5798217049045554
Energy: 0.6147108873596119
Energy: 0.5800059191840322
Energy: 0.578671174350125
Energy: 0.5800059191848427
Energy: 0.56944204851861
Energy: 0.5811864064049862
Energy: 0.5882418384177497
Energy: 0.5811864064041758
Energy: 0.5386120667147749
Energy: 0.5367666602362501
Energy: 0.5329006154190182
Energy: 0.5367666602354395
Energy: 0.5370357986788957
Energy: 0.5386303584827636
Energy: 0.5576515909006601
Energy: 0.5386303584827636
Energy: 0.5563317282483635
Energy: 0.5967035559193098
Energy: 0.5958654668568883
Energy: 0.5967035559193098

minimum gb energy = 0.5329006154190182 eV
minimum distance =  2.59551153119774 Angstroms
sigma value = 9


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

Energy: 0.695144928493975
Energy: 0.5432484781795838
Energy: 0.611166040795991
Energy: 0.5432484781795838
Energy: 0.6134557946696334
Energy: 0.5968055125359945
Energy: 0.5830956362139543
Energy: 0.5968055125340608
Energy: 0.6108475517863055
Energy: 0.6106701203399663
Energy: 0.609678149909953
Energy: 0.6106701203399663
Energy: 0.5771386480114012
Energy: 0.5967134505008084
Energy: 0.5828711727264074
Energy: 0.596713450502742
Energy: 0.6269814514968506
Energy: 0.5525367287161619
Energy: 0.5533186523956162
Energy: 0.5525367287161619
Energy: 0.6125904044161312
Energy: 0.5526755261330308
Energy: 0.5657260701501277
Energy: 0.5526755261339976
Energy: 0.5655649996165321
Energy: 0.5958570990939367
Energy: 0.6275203791560203
Energy: 0.5958570990929699
Energy: 0.5641574335968547
Energy: 0.5968371341179105
Energy: 0.6112177338893392
Energy: 0.5968371341179105
Energy: 0.552225859870037
Energy: 0.5524105738288003
Energy: 0.6872421653847943
Energy: 0.5524105738297672
Energy: 0.5826739642924479
Energy: 0.5566713073096845
Energy: 0.5725690725802294
Energy: 0.5566713073087177
Energy: 0.6033235166925515
Energy: 0.6103246642272079
Energy: 0.6107606269590402
Energy: 0.6103246642281748
Energy: 0.6133015862967116
Energy: 0.5568621670289986
Energy: 0.5827428951544705
Energy: 0.5568621670299655
Energy: 0.6116257118110043
Energy: 0.6106036769427109
Energy: 0.6099218082248284
Energy: 0.6106036769446446
Energy: 0.577041573215088
Energy: 0.5567080353021496
Energy: 0.609341267006823
Energy: 0.5567080353011828
Energy: 0.6259449299128813
Energy: 0.5526786619093124
Energy: 0.552108821641585
Energy: 0.5526786619102793
Energy: 0.6113744435539005
Energy: 0.5531119595761114
Energy: 0.5524357931763341
Energy: 0.5531119595761114
Energy: 0.56441825658984
Energy: 0.5965451040684717
Energy: 0.6284914545569125
Energy: 0.5965451040675048
Energy: 0.5646537757913774
Energy: 0.595640659846838
Energy: 0.6111749909312146
Energy: 0.5956406598429707
Energy: 0.5520112274857454
Energy: 0.5523282272817823
Energy: 0.5381774082453984
Energy: 0.5523282272837159
Energy: 0.5828287495405418
Energy: 0.5561567512362016
Energy: 0.5728942663574172
Energy: 0.5561567512352347
Energy: 0.6030141130524983
Energy: 0.6105723433471034
Energy: 0.6117115512385819
Energy: 0.6105723433480703

minimum gb energy = 0.5381774082453984 eV
minimum distance =  2.59578841443767 Angstroms
sigma value = 25


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

Energy: 0.6168004917832158
Energy: 0.5435897309483017
Energy: 0.6250211661232101
Energy: 0.5435897309494973
Energy: 0.6411719937055403
Energy: 0.5806364694293299
Energy: 0.5969307013719148
Energy: 0.5806364694293299
Energy: 0.6253050212298941
Energy: 0.6244348636445975
Energy: 0.6400784123580602
Energy: 0.6244348636445975
Energy: 0.5905517555215299
Energy: 0.580466915546454
Energy: 0.5969173744385013
Energy: 0.5804669155452584
Energy: 0.5751174286113571
Energy: 0.5789870928459381
Energy: 0.5783936759518741
Energy: 0.5789870928471337
Energy: 0.6448891464011738
Energy: 0.5774684493205017
Energy: 0.5563537013922292
Energy: 0.5774684493205017
Energy: 0.6141698428691271
Energy: 0.5778212432646997
Energy: 0.5759535523140402
Energy: 0.5778212432646997
Energy: 0.5887177385975334
Energy: 0.6060300413528225
Energy: 0.5967617820836285
Energy: 0.6060300413516269
Energy: 0.6236384735739953
Energy: 0.6233939684662114
Energy: 0.6408741595732602
Energy: 0.6233939684662114
Energy: 0.623423612564262
Energy: 0.5816639637854636
Energy: 0.6406811691422215
Energy: 0.5816639637854636
Energy: 0.6408701939611117
Energy: 0.6247436008353308
Energy: 0.6259678106773218
Energy: 0.6247436008353308
Energy: 0.6389725451903013
Energy: 0.5821601079971253
Energy: 0.6252153557159897
Energy: 0.582160107998321
Energy: 0.5771666941581728
Energy: 0.6062753656361943
Energy: 0.5751489099674415
Energy: 0.6062753656361943
Energy: 0.5776987791992008
Energy: 0.5777238473545594
Energy: 0.5897885068984556
Energy: 0.5777238473545594
Energy: 0.5772182085265788
Energy: 0.5779126016136539
Energy: 0.6139964829066066
Energy: 0.5779126016136539
Energy: 0.597661252250845
Energy: 0.5819677831689741
Energy: 0.6152800655727491
Energy: 0.5819677831689741
Energy: 0.6409377537786644
Energy: 0.6234985800988135
Energy: 0.624944808627722
Energy: 0.6234985800988135

minimum gb energy = 0.5435897309483017 eV
minimum distance =  2.59704321606156 Angstroms
sigma value = 17


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

Energy: 0.8364301381987158
Energy: 0.6335604102522757
Energy: 0.6841035763770289
Energy: 0.6335604102529528
Energy: 0.6121985594168059
Energy: 0.568341135026528
Energy: 0.6598006652850168
Energy: 0.568341135026528
Energy: 0.5914323450388064
Energy: 0.5924155155752358
Energy: 0.6868291501811596
Energy: 0.5924155155738814
Energy: 0.5679969098224646
Energy: 0.5697283277202351
Energy: 0.6416249612059834
Energy: 0.5697283277202351
Energy: 0.6389737445232847
Energy: 0.6189263426122614
Energy: 0.5943946376455346
Energy: 0.6189263426122614
Energy: 0.6420281332911947
Energy: 0.6189972809408618
Energy: 0.600871643134394
Energy: 0.6189972809401847
Energy: 0.6810172652004509
Energy: 0.5897530732503252
Energy: 0.5892169525326731
Energy: 0.5897530732496481
Energy: 0.6757825887917953
Energy: 0.5688079081965107
Energy: 0.5901752543047643
Energy: 0.5688079081992193
Energy: 0.6880485506632612
Energy: 0.6856236671801583
Energy: 0.687553219623587
Energy: 0.6856236671808356
Energy: 0.6875625157406564
Energy: 0.632616277794141
Energy: 0.640372033683483
Energy: 0.6326162777934639
Energy: 0.6377720381429514
Energy: 0.5705575099997885
Energy: 0.5708653094481887
Energy: 0.5705575099997885
Energy: 0.6316583778220625
Energy: 0.5706648173252529
Energy: 0.5710451420427405
Energy: 0.5706648173245759
Energy: 0.586833662840886
Energy: 0.5709378211917252
Energy: 0.5708886523410732
Energy: 0.570937821191048
Energy: 0.6814706970904685
Energy: 0.5960372042071487
Energy: 0.5707505972375666
Energy: 0.5960372042064715
Energy: 0.688290956167614
Energy: 0.685822569004081
Energy: 0.6753499037015163
Energy: 0.685822569004081
Energy: 0.6839231341142439
Energy: 0.6852057456389468
Energy: 0.6759485520799898
Energy: 0.6852057456375924
Energy: 0.6315931121539835
Energy: 0.5899231656226777
Energy: 0.590607449022372
Energy: 0.5899231656213233
Energy: 0.6870121212613014
Energy: 0.592042875058303
Energy: 0.5889610664868992
Energy: 0.5920428750576259
Energy: 0.6015085111682222
Energy: 0.6191922338463547
Energy: 0.6386384751382896
Energy: 0.6191922338463547
Energy: 0.5912142928398098
Energy: 0.6201845893523221
Energy: 0.6425166518743312
Energy: 0.6201845893523221
Energy: 0.5899511938990446
Energy: 0.5680754769701811
Energy: 0.6760123408475673
Energy: 0.5680754769688268
Energy: 0.5899574944226912
Energy: 0.5899849024861641
Energy: 0.6847923976269844
Energy: 0.5899849024861641
Energy: 0.640612974495053
Energy: 0.6320795431535787
Energy: 0.6846105502138079
Energy: 0.6320795431535787
Energy: 0.6882634529465985
Energy: 0.6848074025544929
Energy: 0.6845453810775235
Energy: 0.6848074025531387
Energy: 0.591904094936711
Energy: 0.5680738620912751
Energy: 0.6314013741092394
Energy: 0.5680738620899207
Energy: 0.5705968850817645
Energy: 0.570857489737699
Energy: 0.6373756516701385
Energy: 0.5708574897390533
Energy: 0.5624509863580757
Energy: 0.6014938403131219
Energy: 0.677729927060106
Energy: 0.6014938403137989
Energy: 0.5739096206167372
Energy: 0.5709019914176124
Energy: 0.6835113129196875
Energy: 0.5709019914169353
Energy: 0.5707677199817227
Energy: 0.602186881144394
Energy: 0.5866155298539998
Energy: 0.602186881192441
Energy: 0.6773160444686321
Energy: 0.6866154318222529
Energy: 0.6856891617160263
Energy: 0.6866154318215757

minimum gb energy = 0.5624509863580757 eV
minimum distance =  2.57781430797534 Angstroms
sigma value = 53


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

Energy: 0.7473299196753195
Energy: 0.5207074302808464
Energy: 0.6250972305448012
Energy: 0.5207074302792876
Energy: 0.6564239081762545
Energy: 0.5472043325295466
Energy: 0.6467040386806155
Energy: 0.5472043325326643
Energy: 0.6240447051793874
Energy: 0.623541641818595
Energy: 0.6136309245897097
Energy: 0.623541641818595
Energy: 0.5839613748509624
Energy: 0.5476427575680864
Energy: 0.5968294286902935
Energy: 0.5476427575665275
Energy: 0.5973366398067192
Energy: 0.547070141362528
Energy: 0.5082013200547454
Energy: 0.5470701413594101
Energy: 0.5830179539607094
Energy: 0.5478086825316603
Energy: 0.5083651498667372
Energy: 0.5478086825301013
Energy: 0.6545617460868602
Energy: 0.6232449059428922
Energy: 0.6260513877994259
Energy: 0.6232449059428922
Energy: 0.6539845419329896
Energy: 0.5838348968201769
Energy: 0.6243546899153558
Energy: 0.5838348968186179
Energy: 0.6240145625368262
Energy: 0.6243361756500052
Energy: 0.6121806757973632
Energy: 0.6243361756484462
Energy: 0.5837602399797737
Energy: 0.5872240190350081
Energy: 0.5970940349318294
Energy: 0.5872240190319257
Energy: 0.5972394861458703
Energy: 0.5473837596610736
Energy: 0.5087451353673814
Energy: 0.5473837596610736
Energy: 0.5835606917280948
Energy: 0.5465664024039084
Energy: 0.5105100640799325
Energy: 0.5465664024054672
Energy: 0.654053948547053
Energy: 0.583626963282848
Energy: 0.6281752062092276
Energy: 0.583626963284407

minimum gb energy = 0.5082013200547454 eV
minimum distance =  2.57530251258563 Angstroms
sigma value = 9


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

Energy: 0.7325317827464939
Energy: 0.6624270240548656
Energy: 0.7122876167751864
Energy: 0.6624270240537117
Energy: 0.6593564195139403
Energy: 0.5633644927399803
Energy: 0.704303099332989
Energy: 0.5633644927411343
Energy: 0.5622940570763965
Energy: 0.5638352274388008
Energy: 0.6753805893462232
Energy: 0.5638352274388008
Energy: 0.5658330288402814
Energy: 0.5630262618700396
Energy: 0.7064453307189741
Energy: 0.5630262618694626
Energy: 0.5638037883077952
Energy: 0.5615270049227512
Energy: 0.7203326278096852
Energy: 0.5615270049221743
Energy: 0.5633934762780864
Energy: 0.5621674821236303
Energy: 0.7072453391158012
Energy: 0.5621674821236303
Energy: 0.7211494339684877
Energy: 0.7146946865546581
Energy: 0.7133239990196732
Energy: 0.714694686555235
Energy: 0.7071554421640306
Energy: 0.6700751155053002
Energy: 0.707015348709629
Energy: 0.6700751155012614
Energy: 0.6012481180006795
Energy: 0.6147706604695237
Energy: 0.5863078817517984
Energy: 0.6147706604689467
Energy: 0.5440050264576167
Energy: 0.5882127402127487
Energy: 0.6797888114487984
Energy: 0.5882127402133256
Energy: 0.6170755810463164
Energy: 0.6090919796762417
Energy: 0.7002314634178148
Energy: 0.6090919796768188
Energy: 0.6171538991705844
Energy: 0.617140830422804
Energy: 0.7202369311282474
Energy: 0.61714083042165
Energy: 0.7084475767962964
Energy: 0.6074980667986319
Energy: 0.6670852822223593
Energy: 0.6074980667986319
Energy: 0.7052873088559354
Energy: 0.6168281552919482
Energy: 0.6179823603569878
Energy: 0.6168281552925253
Energy: 0.6810744248069045
Energy: 0.587195262411483
Energy: 0.5908925169236007
Energy: 0.5871952624103289
Energy: 0.6273769754265731
Energy: 0.6109652664727153
Energy: 0.5914781112509652
Energy: 0.6109652664721384
Energy: 0.701905640260416
Energy: 0.6202170855631497
Energy: 0.6184434161884218
Energy: 0.6202170855643038
Energy: 0.7080324910527677
Energy: 0.70697915551356
Energy: 0.7217424854956942
Energy: 0.7069791555118292
Energy: 0.7005360136085804
Energy: 0.6199193222890275
Energy: 0.660676879181781
Energy: 0.6199193222890275
Energy: 0.6777893682055043
Energy: 0.5629295584927878
Energy: 0.5624022622457117
Energy: 0.5629295584927878
Energy: 0.7073806616496655
Energy: 0.5628902053039223
Energy: 0.5632690974081801
Energy: 0.5628902053033454
Energy: 0.7061690607379809
Energy: 0.5614580992005289
Energy: 0.5633574692219324
Energy: 0.5614580992005289
Energy: 0.7077543531796976
Energy: 0.5961783058681759
Energy: 0.5620657040012325
Energy: 0.5961783058670218
Energy: 0.7145913016685047
Energy: 0.7056977858357842
Energy: 0.7212626752606643
Energy: 0.7056977858357842
Energy: 0.7102508019989837
Energy: 0.6804620078687357
Energy: 0.7052382879318737
Energy: 0.6804620078693128
Energy: 0.5877818049481692
Energy: 0.6164609862567894
Energy: 0.6043079760790717
Energy: 0.6164609862567894
Energy: 0.6705545791634143
Energy: 0.5886193469112093
Energy: 0.5438374755538126
Energy: 0.5886193469117863
Energy: 0.700400123363254
Energy: 0.6088145938688898
Energy: 0.6184889547921587
Energy: 0.6088145938683128
Energy: 0.7225416380264067
Energy: 0.6169276492000235
Energy: 0.6169669273924311
Energy: 0.6169276491994465
Energy: 0.662614995755439
Energy: 0.6091719667591093
Energy: 0.7085557338740558
Energy: 0.6091719667585324
Energy: 0.6195535124510131
Energy: 0.6168779285698524
Energy: 0.6736918138313251
Energy: 0.6168779285698524
Energy: 0.6120426770506397
Energy: 0.6150918825819603
Energy: 0.6806638169933255
Energy: 0.6150918825900381
Energy: 0.5905378452302551
Energy: 0.612583494098867
Energy: 0.6283136150348276
Energy: 0.6125834940982902
Energy: 0.6099858735098396
Energy: 0.6208116835934997
Energy: 0.6453552923316795
Energy: 0.6208116835934997
Energy: 0.7214124014888594
Energy: 0.7067978510644665
Energy: 0.7090305232536296
Energy: 0.7067978510644665

minimum gb energy = 0.5438374755538126 eV
minimum distance =  2.56746999673489 Angstroms
sigma value = 73


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

Energy: 0.7730991527331811
Energy: 0.6397708081836286
Energy: 0.6887295451055988
Energy: 0.6397708081836286
Energy: 0.6226441219124399
Energy: 0.5802548674015476
Energy: 0.6845789827490912
Energy: 0.580254867402463
Energy: 0.5759212360814446
Energy: 0.5756192512238526
Energy: 0.6499575925774591
Energy: 0.5756192512211061
Energy: 0.5773952225057222
Energy: 0.5809533884190695
Energy: 0.6842852826170805
Energy: 0.5809533884181541
Energy: 0.5783198136099184
Energy: 0.5780748955414015
Energy: 0.717538747814276
Energy: 0.5780748955404861
Energy: 0.6109679615644897
Energy: 0.6025412117707072
Energy: 0.716413200854914
Energy: 0.6025412117697917
Energy: 0.6545783127157119
Energy: 0.6950312328166378
Energy: 0.6941113876487247
Energy: 0.6950312328166378
Energy: 0.6547013335818108
Energy: 0.6559851651807798
Energy: 0.6822082244878932
Energy: 0.6559851651798643
Energy: 0.6120627356761615
Energy: 0.6284515737453111
Energy: 0.6628725348063111
Energy: 0.6284515737462266
Energy: 0.5742850078565963
Energy: 0.6273479151721902
Energy: 0.667679756649744
Energy: 0.6273479151712746
Energy: 0.6194534924533943
Energy: 0.5983974652489786
Energy: 0.5884373076780375
Energy: 0.598397465249894
Energy: 0.6192336160942312
Energy: 0.621981241455821
Energy: 0.684308574968866
Energy: 0.6219812414549054
Energy: 0.6657093722749328
Energy: 0.5956208864473401
Energy: 0.6136569003210561
Energy: 0.5956208864473401
Energy: 0.6500391233546104
Energy: 0.6145841095931163
Energy: 0.6136570463279621
Energy: 0.6145841095912853
Energy: 0.6738856077235132
Energy: 0.5760588376784779
Energy: 0.5823179970773427
Energy: 0.5760588376793933
Energy: 0.7178943483721958
Energy: 0.5828260088777992
Energy: 0.5825635543320847
Energy: 0.5828260088787146
Energy: 0.7174353126068218
Energy: 0.5748717358121636
Energy: 0.6207250509245513
Energy: 0.5748717358112481
Energy: 0.6885269310884917
Energy: 0.6882195096226882
Energy: 0.6699475869277957
Energy: 0.6882195096226882
Energy: 0.677801880844894
Energy: 0.6171071379890021
Energy: 0.6546970476689559
Energy: 0.6171071379880866
Energy: 0.6250286983097019
Energy: 0.5936631123185069
Energy: 0.6250837908761969
Energy: 0.5936631123175915
Energy: 0.6309417784183449
Energy: 0.6121351999485358
Energy: 0.5744235149442074
Energy: 0.6121351999485358
Energy: 0.7156422279758566
Energy: 0.6667254224461228
Energy: 0.6783710825597444
Energy: 0.6667254224461228

minimum gb energy = 0.5742850078565963 eV
minimum distance =  2.55377877356387 Angstroms
sigma value = 7


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

Energy: 0.7875834487377444
Energy: 0.641086054999208
Energy: 0.7035396408997864
Energy: 0.6410860550043863
Energy: 0.5687855537361833
Energy: 0.5629777461928052
Energy: 0.6938693421082497
Energy: 0.5629777461928052
Energy: 0.5580258172817278
Energy: 0.5575779187195911
Energy: 0.5994270133612636
Energy: 0.5575779187176492
Energy: 0.5603449422785309
Energy: 0.5627724611656867
Energy: 0.7588254172536384
Energy: 0.5627724611663341
Energy: 0.6026812466736793
Energy: 0.6007003361095851
Energy: 0.6569909552053198
Energy: 0.6007003361095851
Energy: 0.6008290892515055
Energy: 0.6006413866089774
Energy: 0.6587824697422858
Energy: 0.6006413866128612
Energy: 0.7150754761853336
Energy: 0.6011946169205519
Energy: 0.6008373146780891
Energy: 0.6011946169218466
Energy: 0.7143838791790759
Energy: 0.5684126870527242
Energy: 0.6010690845197748
Energy: 0.5684126870540188
Energy: 0.720747599181356
Energy: 0.5628278084579963
Energy: 0.557966059407328
Energy: 0.562827808459291
Energy: 0.6554766978794999
Energy: 0.5572130176478381
Energy: 0.5575082152842155
Energy: 0.5572130176478381
Energy: 0.6960690162957687
Energy: 0.6029154946271298
Energy: 0.5998844631273211
Energy: 0.6029154946348975
Energy: 0.6870027644823388
Energy: 0.6859745042937558
Energy: 0.7158899727794935
Energy: 0.6859745042892541
Energy: 0.6035789177090708
Energy: 0.6018196203669507
Energy: 0.6876037347175298
Energy: 0.6018196203701872
Energy: 0.6028031515520952
Energy: 0.5759937463098804
Energy: 0.5467653793378172
Energy: 0.5759937463118223
Energy: 0.6839969853437848
Energy: 0.5768918669449349
Energy: 0.5448974240433623
Energy: 0.5768918669442876
Energy: 0.7635623735569986
Energy: 0.6863365577377467
Energy: 0.6875196873211873
Energy: 0.6863365577383939
Energy: 0.7658980845475237
Energy: 0.6033376616379048
Energy: 0.6959260997995766
Energy: 0.603337661634021
Energy: 0.6082743665735119
Energy: 0.5572616237196817
Energy: 0.5991430202227467
Energy: 0.5572616237209764
Energy: 0.5568465146329621
Energy: 0.5624167041104217
Energy: 0.7402303794255084
Energy: 0.5624167041162179
Energy: 0.6013148728058004
Energy: 0.5993013290767245
Energy: 0.7683124838012516
Energy: 0.5993013290760772
Energy: 0.6012957856986989
Energy: 0.6012318590247072
Energy: 0.654241584531596
Energy: 0.6012318590247072
Energy: 0.7134626127809123
Energy: 0.6008598791469822
Energy: 0.6003380863712451
Energy: 0.6008598791489241
Energy: 0.7135736785553203
Energy: 0.6006852624382394
Energy: 0.6003345770097294
Energy: 0.6006852624350028
Energy: 0.6949474595717323
Energy: 0.5631095164928921
Energy: 0.5601144627736346
Energy: 0.5631095164915975
Energy: 0.6553150432603042
Energy: 0.5576545307356494
Energy: 0.5570751824086655
Energy: 0.5576545307388859
Energy: 0.7126169000867025
Energy: 0.5625284853458434
Energy: 0.6091356292378854
Energy: 0.5625284853471381
Energy: 0.7038384454825787
Energy: 0.6888853764563458
Energy: 0.7196157575999442
Energy: 0.6888853764563458
Energy: 0.6763846271575036
Energy: 0.5768675180763346
Energy: 0.6087471287452697
Energy: 0.5768675180782765
Energy: 0.6010105386338136
Energy: 0.5769367859504484
Energy: 0.6322949042329132
Energy: 0.576936785953685
Energy: 0.6766461670609546
Energy: 0.6027844433674044
Energy: 0.5464529741390944
Energy: 0.6027844433648152
Energy: 0.7635958313948669
Energy: 0.6856351830044116
Energy: 0.6873777541589575
Energy: 0.6856351830057064

minimum gb energy = 0.5448974240433623 eV
minimum distance =  2.5800056610744 Angstroms
sigma value = 29


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

Energy: 0.46264913262701846
Energy: 0.46385303424528684
Energy: 0.5713679489392101
Energy: 0.46385303424528684
Energy: 0.5691689379853002
Energy: 0.5354409942496781
Energy: 0.5913369285314465
Energy: 0.5354409942501039
Energy: 0.660383581359002
Energy: 0.6098666332371074
Energy: 0.560522444147678
Energy: 0.6098666332362307
Energy: 0.567175000024133
Energy: 0.47456784235389593
Energy: 0.6589128111267738
Energy: 0.47456784234663063
Energy: 0.5645766762969049
Energy: 0.5674049720936495
Energy: 0.463040707044174
Energy: 0.5674049720982842
Energy: 0.6587305284140852
Energy: 0.6092059809056625
Energy: 0.4630063094483118
Energy: 0.6092059809049861
Energy: 0.4692871847960906
Energy: 0.6088386400181129
Energy: 0.659484557928492
Energy: 0.6088386400174616
Energy: 0.5911236257880367
Energy: 0.47533787294263535
Energy: 0.6537293733549709
Energy: 0.47533787294373764
Energy: 0.569059707868566
Energy: 0.47467687951993337
Energy: 0.5637271335186039
Energy: 0.4746768795179542

minimum gb energy = 0.46264913262701846 eV
minimum distance =  2.60177990918884 Angstroms
sigma value = 5


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

Energy: 0.686978450645362
Energy: 0.5667689033303249
Energy: 0.5245579424901272
Energy: 0.5667689033309364
Energy: 0.6529332662128178
Energy: 0.5251962737178517
Energy: 0.6143422678020003
Energy: 0.5251962737184632
Energy: 0.6147822588207046
Energy: 0.5644612713649765
Energy: 0.6102562960920701
Energy: 0.5644612713649765
Energy: 0.5328166526093319
Energy: 0.5241384369421438
Energy: 0.6946562483847214
Energy: 0.5241384369409209
Energy: 0.610334569345064
Energy: 0.5249614817275856
Energy: 0.7269307954077088
Energy: 0.5249614817263628
Energy: 0.5349880529178855
Energy: 0.5251642274389086
Energy: 0.7265132772609638
Energy: 0.5251642274389086
Energy: 0.5246240574349496
Energy: 0.5240166536257136
Energy: 0.6934243666406598
Energy: 0.524016653627548
Energy: 0.5243542926968113
Energy: 0.5253916512327603
Energy: 0.6871789170041729
Energy: 0.5253916512327603
Energy: 0.6574559705064589
Energy: 0.5486238463094942
Energy: 0.6854550320045544
Energy: 0.5486238463076597
Energy: 0.607676579382638
Energy: 0.5174876246640666
Energy: 0.5202514997620188
Energy: 0.5174876246659008
Energy: 0.6574903065087242
Energy: 0.5173177638939116
Energy: 0.5188644708157659
Energy: 0.517317763895746
Energy: 0.6829771704732083
Energy: 0.5179876997281
Energy: 0.5203369056800612
Energy: 0.5179876997274886
Energy: 0.6850196313448359
Energy: 0.5193218586127513
Energy: 0.6750154371887489
Energy: 0.5193218586145857
Energy: 0.6691679317391872
Energy: 0.54994247612318
Energy: 0.6096609599641513
Energy: 0.5499424761237914
Energy: 0.5263604433660001
Energy: 0.5251190403279586
Energy: 0.6111407304387281
Energy: 0.52511904032857
Energy: 0.5290216609855134
Energy: 0.5253188400025137
Energy: 0.671948482933418
Energy: 0.5253188400025137
Energy: 0.5252723028116775
Energy: 0.5259819133103623
Energy: 0.7623866163775298
Energy: 0.5259819133097507
Energy: 0.6108012701869069
Energy: 0.5254854175748703
Energy: 0.6529783361741587
Energy: 0.5254854175742588
Energy: 0.6103031521162505
Energy: 0.5660038065801252
Energy: 0.615659115879428
Energy: 0.5660038065807366
Energy: 0.692368787292418
Energy: 0.524098121903997
Energy: 0.5310790945380732
Energy: 0.5240981219046085
Energy: 0.7250519424798112
Energy: 0.5260725420697852
Energy: 0.610943516327072
Energy: 0.5260725420691736
Energy: 0.7281843122343366
Energy: 0.5253222023070894
Energy: 0.5357285940224066
Energy: 0.525322202306478
Energy: 0.6954097974335434
Energy: 0.5243742268532859
Energy: 0.5261322723792037
Energy: 0.5243742268538975
Energy: 0.6855540661427955
Energy: 0.5252726717905967
Energy: 0.5244045185334096
Energy: 0.5252726717905967
Energy: 0.6837642937641172
Energy: 0.5488358727869392
Energy: 0.6574176328466614
Energy: 0.5488358727875506
Energy: 0.5214473732070416
Energy: 0.5183123505528934
Energy: 0.607772464966122
Energy: 0.5183123505559507
Energy: 0.5212566626573296
Energy: 0.5175448066360344
Energy: 0.6573482593343535
Energy: 0.517544806635423
Energy: 0.5179419762580537
Energy: 0.5182048611353436
Energy: 0.655957315997449
Energy: 0.5182048611347321
Energy: 0.7037734912845326
Energy: 0.6769616445039921
Energy: 0.6862478510036059
Energy: 0.6769616445039921
Energy: 0.610159792081744
Energy: 0.5491527946379705
Energy: 0.6690874477156159
Energy: 0.5491527946379705
Energy: 0.6100583742016398
Energy: 0.5245473798496997
Energy: 0.5277430550897865
Energy: 0.5245473798496997
Energy: 0.6718395346883643
Energy: 0.5254453791699177
Energy: 0.5277554665774004
Energy: 0.5254453791699177
Energy: 0.6548125525856083
Energy: 0.5762207965838196
Energy: 0.5253917013245827
Energy: 0.5762207965838196

minimum gb energy = 0.5173177638939116 eV
minimum distance =  2.57825178481607 Angstroms
sigma value = 1


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

Energy: 0.7346516842719463
Energy: 0.5520113563021224
Energy: 0.5096818649363523
Energy: 0.5520113563021224
Energy: 0.6667687450379675
Energy: 0.5102303178896538
Energy: 0.6239784186289868
Energy: 0.5102303178904992
Energy: 0.6228088276618171
Energy: 0.5645920679369762
Energy: 0.6216643669725548
Energy: 0.5645920679369762
Energy: 0.518192719270188
Energy: 0.5094926567061409
Energy: 0.6961660170614408
Energy: 0.5094926567044499
Energy: 0.6385045358382523
Energy: 0.5105944700698843
Energy: 0.6962980447546265
Energy: 0.5105944700707298
Energy: 0.5195690116637703
Energy: 0.5167883705712888
Energy: 0.6957945479783207
Energy: 0.5167883705721343
Energy: 0.5088780083321649
Energy: 0.509115697775577
Energy: 0.6954575790206076
Energy: 0.5091156977705236
Energy: 0.5099563678209637
Energy: 0.5103259382894889
Energy: 0.7142778567812539
Energy: 0.5103259382903345
Energy: 0.7049350272886914
Energy: 0.5436686076119187
Energy: 0.71424284321955
Energy: 0.5436686076110732
Energy: 0.6227990164501245
Energy: 0.510231459681185
Energy: 0.5105578858792434
Energy: 0.510231459681185
Energy: 0.7036104487967137
Energy: 0.5092626897512263
Energy: 0.5091303682918132
Energy: 0.5092626897520718
Energy: 0.7134750105461874
Energy: 0.5100851768247221
Energy: 0.5094938705753481
Energy: 0.5100851768247221
Energy: 0.712989271300693
Energy: 0.5577378347741604
Energy: 0.6377086038091991
Energy: 0.5577378347750058
Energy: 0.7045066586739124
Energy: 0.509654699363655
Energy: 0.6216790929777575
Energy: 0.5096546993645005
Energy: 0.5168208842384295
Energy: 0.5636713109805728
Energy: 0.6231547253485338
Energy: 0.5636713109788818
Energy: 0.5165224934890559
Energy: 0.5101352766981161
Energy: 0.6977029941877979
Energy: 0.510135276699807
Energy: 0.5512828612101023
Energy: 0.5941899706872487
Energy: 0.6947252236933871
Energy: 0.594189970689785
Energy: 0.5172319570590903
Energy: 0.5104562481760732
Energy: 0.6944027663334721
Energy: 0.5104562481760732
Energy: 0.5097401524770706
Energy: 0.5097096075607318
Energy: 0.7244590278779742
Energy: 0.5097096075598864
Energy: 0.5098289028440753
Energy: 0.509223080265677
Energy: 0.7143158205314406
Energy: 0.509223079287939
Energy: 0.6202485171777626
Energy: 0.5439650385041888
Energy: 0.7042279047308289
Energy: 0.5439650385033434
Energy: 0.6191759632946998
Energy: 0.5114505635768596
Energy: 0.5112053736920465
Energy: 0.5114505635785506
Energy: 0.7048229545548302
Energy: 0.5091619638876553
Energy: 0.5102720562750079
Energy: 0.5091619638868099
Energy: 0.7127730350134329
Energy: 0.5571099729896052
Energy: 0.5168236063652228
Energy: 0.5571099729879144

minimum gb energy = 0.5088780083321649 eV
minimum distance =  2.58189623809664 Angstroms
sigma value = 17


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

Energy: 0.7884092300911659
Energy: 0.5588347016390783
Energy: 0.6817728731407016
Energy: 0.558834701720074
Energy: 0.6486235965756619
Energy: 0.5137847892989859
Energy: 0.5892747208220745
Energy: 0.5137847892989859
Energy: 0.6500465734249219
Energy: 0.5174697919143192
Energy: 0.5870390516780195
Energy: 0.517469791912229
Energy: 0.6509810445270756
Energy: 0.5405988188548393
Energy: 0.6620383974271868
Energy: 0.5405988188553619
Energy: 0.7101390791842962
Energy: 0.507293654699837
Energy: 0.704331587851433
Energy: 0.5072936547014046
Energy: 0.5238502803005273
Energy: 0.5073162732488994
Energy: 0.712911894842044
Energy: 0.5073162732499445
Energy: 0.5070643752479911
Energy: 0.5059683803657794
Energy: 0.662374230510173
Energy: 0.5059683803647343
Energy: 0.5256539506275885
Energy: 0.5207321641488227
Energy: 0.7640657124204915
Energy: 0.5207321641483003
Energy: 0.7058748292838788
Energy: 0.5070494920125184
Energy: 0.6570808544455977
Energy: 0.5070494920135635
Energy: 0.5825976860460372
Energy: 0.5422952193376662
Energy: 0.5932927920271139
Energy: 0.5422952193428918
Energy: 0.7051137315115091
Energy: 0.5129608668444803
Energy: 0.5181800234764891
Energy: 0.5129608668444803
Energy: 0.6545277217589353
Energy: 0.514218433736726
Energy: 0.58721206281093
Energy: 0.5142184337382937
Energy: 0.7180002304714724
Energy: 0.5310787564902938
Energy: 0.5586826873644885
Energy: 0.5310787564975619
Energy: 0.7082595168843954
Energy: 0.5130169816623511
Energy: 0.5151229348473418
Energy: 0.5130169816623511
Energy: 0.6480259496201098
Energy: 0.5139425550048228
Energy: 0.5206932707349571
Energy: 0.5139425550048228
Energy: 0.7517166500647474
Energy: 0.5167580166973952
Energy: 0.7127172355325575
Energy: 0.51675801669635
Energy: 0.5136044100876677
Energy: 0.5146919990427851
Energy: 0.7067414350970399
Energy: 0.5146919990433076
Energy: 0.5160501831727344
Energy: 0.5133028560521651
Energy: 0.7118126438829367
Energy: 0.5133028560500749
Energy: 0.5148776953075469
Energy: 0.5141984750413834
Energy: 0.6562663192550584
Energy: 0.5141984750398157
Energy: 0.6189009427811036
Energy: 0.6183272486273059
Energy: 0.7769457973331784
Energy: 0.6183272486267832
Energy: 0.588017630965109
Energy: 0.5136260222594299
Energy: 0.7082478383951111
Energy: 0.5136260222599524
Energy: 0.5878585309823053
Energy: 0.6117396110495823
Energy: 0.6480748655922214
Energy: 0.6117396110495823
Energy: 0.6620645436966672
Energy: 0.5396836250846695
Energy: 0.6486532505356496
Energy: 0.5396836250872823
Energy: 0.7064320939925005
Energy: 0.5077110041080923
Energy: 0.7131691534859634
Energy: 0.5077110041044345
Energy: 0.7116311371678958
Energy: 0.5073358735645188
Energy: 0.5213038981327105
Energy: 0.5073358735639962
Energy: 0.6637684173848609
Energy: 0.5063017994528848
Energy: 0.5096135721349292
Energy: 0.5063017994507946
Energy: 0.7792852189662577
Energy: 0.5204912825662391
Energy: 0.5206844821000453
Energy: 0.5204912825662391
Energy: 0.6567653920883272
Energy: 0.5463696465723069
Energy: 0.7005039333353527
Energy: 0.5463696465712619
Energy: 0.5911321106811164
Energy: 0.5405585064101802
Energy: 0.586118442238973
Energy: 0.5405585064112254
Energy: 0.519131432025177
Energy: 0.5126956384704653
Energy: 0.7375126907345404
Energy: 0.5126956384725554
Energy: 0.6260455831578912
Energy: 0.5140630105148494
Energy: 0.6539683466123235
Energy: 0.5140630105169396
Energy: 0.558802324429735
Energy: 0.5287170327866271
Energy: 0.6524602651350209
Energy: 0.528717032784537
Energy: 0.513333943124167
Energy: 0.512584539778124
Energy: 0.7079779818304464
Energy: 0.5125845397776014
Energy: 0.5133326568604596
Energy: 0.5141046310546498
Energy: 0.649812214828404
Energy: 0.5141046310562174
Energy: 0.7090005935618668
Energy: 0.5154579932888395
Energy: 0.7487475137621422
Energy: 0.515457993289362
Energy: 0.7159575174665064
Energy: 0.5147714309479984
Energy: 0.5133493333416407
Energy: 0.5147714309490434
Energy: 0.7133237429303261
Energy: 0.5129958805602326
Energy: 0.5135945470787457
Energy: 0.5129958805602326
Energy: 0.656462283456107
Energy: 0.5144262475595656
Energy: 0.5296700749834347
Energy: 0.5144262475611333

minimum gb energy = 0.5059683803647343 eV
minimum distance =  2.57571997393945 Angstroms
sigma value = 89


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

Energy: 0.8265888929235649
Energy: 0.5049170381115959
Energy: 0.4753444300663911
Energy: 0.5049170381115959
Energy: 0.7465774853690235
Energy: 0.5194803809833668
Energy: 0.6107790431645467
Energy: 0.5194803809833668
Energy: 0.46715026007142746
Energy: 0.5203076884598775
Energy: 0.6197971625924171
Energy: 0.5203076884598775
Energy: 0.4685901959267985
Energy: 0.5209264476696086
Energy: 0.6202869344890235
Energy: 0.5209264476696086
Energy: 0.620312310077776
Energy: 0.47441933847697476
Energy: 0.6185813135248253
Energy: 0.47441933847560747
Energy: 0.47230586129095786
Energy: 0.47245900544681707
Energy: 0.6152395422716359
Energy: 0.47245900544818437
Energy: 0.4720121463199437
Energy: 0.4715852474314181
Energy: 0.7509376022728095
Energy: 0.4715852474314181
Energy: 0.4723380801597863
Energy: 0.4730264271042201
Energy: 0.745805954863662
Energy: 0.4730264271042201
Energy: 0.6110003286386253
Energy: 0.4727518344110632
Energy: 0.7481937956906857
Energy: 0.4727518344110632
Energy: 0.6205507356102112
Energy: 0.5208419962121308
Energy: 0.6197574971657941
Energy: 0.5208419962121308
Energy: 0.6198889278517554
Energy: 0.5200018728947974
Energy: 0.46669309432353834
Energy: 0.52000187289343
Energy: 0.6155133395060342
Energy: 0.4734100033932306
Energy: 0.6201153882124464
Energy: 0.4734100033932306
Energy: 0.6340345121644986
Energy: 0.4732070789580754
Energy: 0.47222071598037535
Energy: 0.4732070789580754
Energy: 0.7488210176896373
Energy: 0.4712929638777857
Energy: 0.4710238670463115
Energy: 0.4712929638777857
Energy: 0.7461517120791152
Energy: 0.4722017360004818
Energy: 0.47222570464595626
Energy: 0.4722017359991145

minimum gb energy = 0.46669309432353834 eV
minimum distance =  2.59297859417538 Angstroms
sigma value = 13


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

Energy: 0.7485211934116552
Energy: 0.5030683765676979
Energy: 0.469355358821087
Energy: 0.5030683765659786
Energy: 0.722193435406948
Energy: 0.46893949863658946
Energy: 0.5457913457361601
Energy: 0.4689394986371625
Energy: 0.7188597712906664
Energy: 0.46831517915626875
Energy: 0.5423680390905367
Energy: 0.46831517915454945
Energy: 0.5938322140947203
Energy: 0.46854696254225586
Energy: 0.6461028224144838
Energy: 0.4685469625382444
Energy: 0.6802900405203067
Energy: 0.5802443564882148
Energy: 0.6644348650251279
Energy: 0.5802443564916534
Energy: 0.5432736800104939
Energy: 0.4687381475195778
Energy: 0.6650336911800522
Energy: 0.4687381475167125
Energy: 0.5437742909058801
Energy: 0.46851662006297595
Energy: 0.7701721472805252
Energy: 0.4685166200606837
Energy: 0.5410355226057318
Energy: 0.46931780243976806
Energy: 0.7715437584429689
Energy: 0.4693178024386219
Energy: 0.4687243086943564
Energy: 0.46945493928081905
Energy: 0.8212021695202717
Energy: 0.46945493928081905
Energy: 0.4709961720651816
Energy: 0.46870782271284206
Energy: 0.7722734591006799
Energy: 0.4687078227105498
Energy: 0.4683926718329903
Energy: 0.4698962014853728
Energy: 0.7364472020287984
Energy: 0.4698962014905043
Energy: 0.6676238418272398
Energy: 0.46874361174469314
Energy: 0.7723533246796133
Energy: 0.46874361174985074
Energy: 0.6674303283250049
Energy: 0.49290677879954276
Energy: 0.6676982184697334
Energy: 0.4929067787983966
Energy: 0.6905153309270498
Energy: 0.4985623486188581
Energy: 0.5950564381254677
Energy: 0.49856234862057747
Energy: 0.7599602284188967
Energy: 0.4695839687427692
Energy: 0.6724096441968525
Energy: 0.46958396874219616
Energy: 0.757892548746959
Energy: 0.46962772358190974
Energy: 0.46867805738770746
Energy: 0.46962772358190974
Energy: 0.7712242710018665
Energy: 0.4686620924947196
Energy: 0.47115152945490335
Energy: 0.46866209249357343
Energy: 0.732946417127362
Energy: 0.48513060909694367
Energy: 0.4687991305081857
Energy: 0.48513060909751676
Energy: 0.7908787969154909
Energy: 0.46950873359025713
Energy: 0.5601957814379083
Energy: 0.46950873358968404
Energy: 0.7570976555763291
Energy: 0.4682660009671398
Energy: 0.5329147766463382
Energy: 0.4682660009659937
Energy: 0.5973631009668443
Energy: 0.469087705206947
Energy: 0.5431454865044623
Energy: 0.46908770520408166
Energy: 0.7567392794384484
Energy: 0.5798946527335467
Energy: 0.6637119494275924
Energy: 0.5798946527318275
Energy: 0.5466202737063959
Energy: 0.4692967300918059
Energy: 0.664895844083254
Energy: 0.4692967300946452
Energy: 0.4710719457285662
Energy: 0.4679124461848627
Energy: 0.7581122739624087
Energy: 0.4679124461842896
Energy: 0.5417663097185487
Energy: 0.46942903133756547
Energy: 0.7687311045434025
Energy: 0.4694290313381385
Energy: 0.47172165741477623
Energy: 0.46954735972862033
Energy: 0.7564832680809871
Energy: 0.46954735972690115
Energy: 0.4687449147793099
Energy: 0.46822494000040116
Energy: 0.7708683380583239
Energy: 0.4682249399969888
Energy: 0.4684475355139517
Energy: 0.4693505243284638
Energy: 0.7232863547135051
Energy: 0.46935052433304847
Energy: 0.6686110798006268
Energy: 0.4689859390703442
Energy: 0.7933005012596335
Energy: 0.46898593906862496
Energy: 0.532311749727521
Energy: 0.49536126796631774
Energy: 0.6699659710299212
Energy: 0.49536126796631774
Energy: 0.6717777042172702
Energy: 0.4976417966821481
Energy: 0.5969911435296231
Energy: 0.4976417966832942
Energy: 0.7569417722826368
Energy: 0.4692653546549741
Energy: 0.6689035462612263
Energy: 0.4692653546549741
Energy: 0.7586258932469777
Energy: 0.46942404103521446
Energy: 0.46869511623871773
Energy: 0.4694240410340683
Energy: 0.7710455724405861
Energy: 0.46835588090921004
Energy: 0.4688271021645928
Energy: 0.46835588091207536
Energy: 0.7842866813254664
Energy: 0.47003839409894466
Energy: 0.4845358454263463
Energy: 0.4700383941000908

minimum gb energy = 0.4679124461842896 eV
minimum distance =  2.57257371749239 Angstroms
sigma value = 37


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

Energy: 0.6553713135334308
Energy: 0.47628898753131954
Energy: 0.4335963214717241
Energy: 0.4762889875323055
Energy: 0.788524981688961
Energy: 0.43402749660883727
Energy: 0.5526877556894094
Energy: 0.4340274966098232
Energy: 0.6579497900512242
Energy: 0.43342171443250166
Energy: 0.5501582169777629
Energy: 0.43342171443250166
Energy: 0.6479611568333128
Energy: 0.48249322647612797
Energy: 0.6804173900182784
Energy: 0.482493226475142
Energy: 0.681257302198833
Energy: 0.4828192747241561
Energy: 0.5395135536669008
Energy: 0.4828192747241561
Energy: 0.43063344232461764
Energy: 0.4341304334098126
Energy: 0.6196396786972871
Energy: 0.4341304334088266
Energy: 0.4305924277389351
Energy: 0.43346597931644426
Energy: 0.7916244068215145
Energy: 0.43346597931644426
Energy: 0.5511379665122642
Energy: 0.4339074425796014
Energy: 0.7209875942208732
Energy: 0.4339074425796014
Energy: 0.4339002447588222
Energy: 0.4348597580981425
Energy: 0.7205825020531013
Energy: 0.4348597580981425
Energy: 0.43388163604350094
Energy: 0.43402096013870617
Energy: 0.7885249816071497
Energy: 0.43402096013772024
Energy: 0.43359632134558973
Energy: 0.4762889875323055
Energy: 0.6553713135334308
Energy: 0.47628898753131954
Energy: 0.5526877556913813
Energy: 0.4340274966098232
Energy: 0.7880807975959082
Energy: 0.4340274966098232
Energy: 0.5501582169777629
Energy: 0.4334217144315157
Energy: 0.6579497900502606
Energy: 0.4334217144315157
Energy: 0.6804173900172925
Energy: 0.482493226475142
Energy: 0.6479611568323268
Energy: 0.482493226475142
Energy: 0.5395135536678868
Energy: 0.4828192747241561
Energy: 0.681257302198833
Energy: 0.482819274725142
Energy: 0.6906936463094092
Energy: 0.43413043340685475
Energy: 0.43063344232560363
Energy: 0.4341304334088266
Energy: 0.7916244068225005
Energy: 0.43346597931545827
Energy: 0.4305924277389351
Energy: 0.43346597931545827
Energy: 0.7209875942218592
Energy: 0.43390744257861547
Energy: 0.5511379665122642
Energy: 0.43390744257861547
Energy: 0.7205825020531013
Energy: 0.4348597580971565
Energy: 0.43390024476079403
Energy: 0.4348597580981425
Energy: 0.7885249816071497
Energy: 0.43402096013673425
Energy: 0.43388163604350094
Energy: 0.43402096013772024

minimum gb energy = 0.4305924277389351 eV
minimum distance =  2.59015358995067 Angstroms
sigma value = 25


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

Energy: 0.7151395331251931
Energy: 0.4378576621293511
Energy: 0.4002838665575554
Energy: 0.43785766212781135
Energy: 0.8072801283206793
Energy: 0.4004662529862238
Energy: 0.49158100526109844
Energy: 0.40046625298545385
Energy: 0.6990869528933478
Energy: 0.40076862276866937
Energy: 0.48883498714642665
Energy: 0.4007686227678995
Energy: 0.5574709571136506
Energy: 0.40080411359146856
Energy: 0.6421167677342452
Energy: 0.4008041135906987
Energy: 0.710002277660471
Energy: 0.5253946671477092
Energy: 0.6414444302905551
Energy: 0.5253946671477092
Energy: 0.5795757478399611
Energy: 0.6208793283014653
Energy: 0.6425217830627146
Energy: 0.6208793283014653
Energy: 0.5668719860820085
Energy: 0.5259658586971926
Energy: 0.7552590133542929
Energy: 0.5259658586979623
Energy: 0.6412497749764597
Energy: 0.4012773266944376
Energy: 0.6325841731059239
Energy: 0.40127732669520755
Energy: 0.48990428634885164
Energy: 0.39975144745374747
Energy: 0.7583312127739098
Energy: 0.3997514474560571
Energy: 0.4922840746062068
Energy: 0.40020020222099156
Energy: 0.7560268897742087
Energy: 0.4002002022202216
Energy: 0.4002041877041949
Energy: 0.400921435793654
Energy: 0.6679957403071656
Energy: 0.40092143579442385
Energy: 0.40341078666990615
Energy: 0.39998121688538374
Energy: 0.7561934153496941
Energy: 0.3999812168861536
Energy: 0.40020898012896444
Energy: 0.40011605978253656
Energy: 0.8081774490508009
Energy: 0.40011605978330644
Energy: 0.4910006050324655
Energy: 0.40144945021873707
Energy: 0.6969475711349142
Energy: 0.40144945021873707
Energy: 0.4820153354898706
Energy: 0.3996621634584471
Energy: 0.8044420602716084
Energy: 0.3996621634584471
Energy: 0.4901880955478988
Energy: 0.40037092185316214
Energy: 0.7013224273329322
Energy: 0.400370921853932
Energy: 0.642082849824198
Energy: 0.40078389263687625
Energy: 0.6991393703625407
Energy: 0.4007838926284074
Energy: 0.4784681045634462
Energy: 0.5239532902698345
Energy: 0.7089401521339028
Energy: 0.5239532902698345
Energy: 0.6415805893173904
Energy: 0.6217612725329833
Energy: 0.5755587482403282
Energy: 0.6217612725322134
Energy: 0.7559507563643577
Energy: 0.5254224390190204
Energy: 0.5788378446910413
Energy: 0.5254224390190204
Energy: 0.6323200710968016
Energy: 0.4011285587386006
Energy: 0.4892793606918009
Energy: 0.4011285587386006
Energy: 0.7556621621482857
Energy: 0.3997251119844709
Energy: 0.40030568344788225
Energy: 0.3997251119844709
Energy: 0.7531671608251973
Energy: 0.4004675482617251
Energy: 0.48969389332280877
Energy: 0.40046754826326486
Energy: 0.6315385705324659
Energy: 0.4021223664414821
Energy: 0.39982033207912204
Energy: 0.4021223664414821
Energy: 0.8058789727217357
Energy: 0.4002874237137269
Energy: 0.40037208344990954
Energy: 0.4002874237121871
Energy: 0.6992677991464646
Energy: 0.40077740214879143
Energy: 0.4006182421147824
Energy: 0.40077740214956137

minimum gb energy = 0.3996621634584471 eV
minimum distance =  2.5833682669553 Angstroms
sigma value = 41


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

Energy: 0.7404018464558173
Energy: 0.40496845570386236
Energy: 0.37111525580748134
Energy: 0.4049684557032312
Energy: 0.8161596795715041
Energy: 0.37148810054526876
Energy: 0.4398606782122653
Energy: 0.37148810054463755
Energy: 0.7230350991875727
Energy: 0.370600204023807
Energy: 0.4395988931559242
Energy: 0.3706002040225447
Energy: 0.6278907292964218
Energy: 0.3722906066628783
Energy: 0.5649441145503212
Energy: 0.3722906066616159
Energy: 0.7295455278741662
Energy: 0.4917313859567366
Energy: 0.5630300787173989
Energy: 0.4917313859573678
Energy: 0.6247818152772249
Energy: 0.48874068205302335
Energy: 0.5742266119462707
Energy: 0.48874068205302335
Energy: 0.6266635773292359
Energy: 0.497372509823176
Energy: 0.6808990904725255
Energy: 0.49737250985912507
Energy: 0.6758906345894672
Energy: 0.48901005844482753
Energy: 0.5631919425435885
Energy: 0.4890100584435652
Energy: 0.5006274114743134
Energy: 0.48939360106824853
Energy: 0.675866183648113
Energy: 0.48939360106887975
Energy: 0.5025012628932005
Energy: 0.4919934156936895
Energy: 0.7708088313971673
Energy: 0.49199341569432065
Energy: 0.43540246278366784
Energy: 0.37194861553167485
Energy: 0.6736572500678479
Energy: 0.37194861552978126
Energy: 0.4351887885857043
Energy: 0.3707371687436283
Energy: 0.7710093669696018
Energy: 0.3707371687442595
Energy: 0.435613465648678
Energy: 0.37170341798884343
Energy: 0.7711121314201206
Energy: 0.37170341798884343
Energy: 0.37095895301218745
Energy: 0.37235771497116427
Energy: 0.673453864846808
Energy: 0.37235771497179543
Energy: 0.3726352401057887
Energy: 0.37135379578559435
Energy: 0.8158088792770213
Energy: 0.37135379578622557
Energy: 0.3712288487328158
Energy: 0.3721601372289636
Energy: 0.7246986105740296
Energy: 0.3721601372289636
Energy: 0.43513546135059267
Energy: 0.37219492988857183
Energy: 0.7283189358133326
Energy: 0.372194929889203
Energy: 0.4346435403003513
Energy: 0.370523144728399
Energy: 0.7707874076444531
Energy: 0.37052314472903014
Energy: 0.43516555410552604
Energy: 0.37301277934959853
Energy: 0.6248315699436039
Energy: 0.3730127793508609
Energy: 0.5656482287755509
Energy: 0.49162902979770995
Energy: 0.6231332892641852
Energy: 0.49162902979897233
Energy: 0.5668754294771021
Energy: 0.4872338176869854
Energy: 0.6792308492153424
Energy: 0.4872338176869854
Energy: 0.565655577174236
Energy: 0.4882688132142284
Energy: 0.6280557655562302
Energy: 0.4882688132142284
Energy: 0.6757959439753761
Energy: 0.6011276099785389
Energy: 0.6249357587899623
Energy: 0.6011276099785389
Energy: 0.5629426925417751
Energy: 0.49014299992242905
Energy: 0.5653895977743026
Energy: 0.4901429999217979
Energy: 0.679002607331202
Energy: 0.4892434827154426
Energy: 0.4980454334655385
Energy: 0.4892434827141802
Energy: 0.6752942290101686
Energy: 0.37241685001907177
Energy: 0.5695633948386026
Energy: 0.37241685002096536
Energy: 0.6778974696285
Energy: 0.373334638605657
Energy: 0.43594450473359564
Energy: 0.3733346386062882
Energy: 0.7727328221988432
Energy: 0.3704399311177374
Energy: 0.4352287661055636
Energy: 0.3704399311177374
Energy: 0.676114030668377
Energy: 0.37186082910362184
Energy: 0.43507538565879994
Energy: 0.3718608291042243
Energy: 0.675594125621678
Energy: 0.37179209509530914
Energy: 0.3715946489949141
Energy: 0.37179209509530914
Energy: 0.770620163028062
Energy: 0.37117326260295913
Energy: 0.372118902626217
Energy: 0.37117326260169675
Energy: 0.721202997964244
Energy: 0.37215393204787395
Energy: 0.3714777531034429
Energy: 0.37215393204661157

minimum gb energy = 0.3704399311177374 eV
minimum distance =  2.58141928007932 Angstroms
sigma value = 15


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

Energy: 0.6635011572022067
Energy: 0.38493982189353915
Energy: 0.3473980778007061
Energy: 0.38493982189514325
Energy: 0.820740931275113
Energy: 0.3469957038033281
Energy: 0.4054520182525223
Energy: 0.34699570380439754
Energy: 0.7403238317040188
Energy: 0.3482073207690203
Energy: 0.40494144755089445
Energy: 0.3482073207647426
Energy: 0.659008589555824
Energy: 0.4538240016853535
Energy: 0.5125496209720103
Energy: 0.45382400168428405
Energy: 0.7479089874052078
Energy: 0.45417449474335575
Energy: 0.5106127787233291
Energy: 0.4541744947449598
Energy: 0.6521283233410379
Energy: 0.4536179551483488
Energy: 0.5134373512700374
Energy: 0.4536179551494182
Energy: 0.5645731805113897
Energy: 0.4629803689891869
Energy: 0.6150859482426889
Energy: 0.46298036898704803
Energy: 0.6624721512588174
Energy: 0.5614124284175194
Energy: 0.513047283706236
Energy: 0.5614124284153806
Energy: 0.5652078652261168
Energy: 0.5521578861051306
Energy: 0.6113435042600572
Energy: 0.5521578861045958
Energy: 0.564929333738656
Energy: 0.5579355917303971
Energy: 0.6973441550526573
Energy: 0.5579355917314667
Energy: 0.5116111092351598
Energy: 0.5097994550041595
Energy: 0.6162555742561945
Energy: 0.5097994550041595
Energy: 0.45308834980637985
Energy: 0.4535879398186666
Energy: 0.6977859569752469
Energy: 0.4535879398181319
Energy: 0.5157618774153883
Energy: 0.4546226864445499
Energy: 0.6959792334801852
Energy: 0.45462268644615395
Energy: 0.40078367312213437
Energy: 0.3471561780711546
Energy: 0.6119425172831913
Energy: 0.3471561780727587
Energy: 0.40097824969871076
Energy: 0.3464411985808911
Energy: 0.7802891261913841
Energy: 0.3464411985798217
Energy: 0.40118400764812745
Energy: 0.347837359591639
Energy: 0.6977226857073795
Energy: 0.347837359591639
Energy: 0.3479797619816738
Energy: 0.3483283680212681
Energy: 0.7011781123063422
Energy: 0.34832836802180284
Energy: 0.3468787918135574
Energy: 0.346751079148478
Energy: 0.8186574571613644
Energy: 0.34675107914740866
Energy: 0.34714640341611347
Energy: 0.3478886328717863
Energy: 0.6549283227864204
Energy: 0.3478886328707169
Energy: 0.39921985187124454
Energy: 0.34827125305894524
Energy: 0.7445347372762217
Energy: 0.3482712530594799
Energy: 0.39951521581288996
Energy: 0.3477071477994851
Energy: 0.7821201898314321
Energy: 0.347707147797881
Energy: 0.39980333442299787
Energy: 0.34736051974382476
Energy: 0.6570551398649694
Energy: 0.34736051974168597
Energy: 0.5150669826518504
Energy: 0.4541083209687315
Energy: 0.6520133906202952
Energy: 0.4541083209676622
Energy: 0.5110257922012201
Energy: 0.4538767585687899
Energy: 0.6998429850419096
Energy: 0.4538767585671858
Energy: 0.5120690606300168
Energy: 0.4528970378179951
Energy: 0.5750520389116631
Energy: 0.45289703781906454
Energy: 0.6097416854701475
Energy: 0.557551151979119
Energy: 0.6981922829325278
Energy: 0.5575511519780496
Energy: 0.5103323339512695
Energy: 0.5499836501607621
Energy: 0.6126270890800153
Energy: 0.5499836501623662
Energy: 0.6628366672023542
Energy: 0.5569101629910859
Energy: 0.5677905202662769
Energy: 0.5569101629900163
Energy: 0.6100144159103041
Energy: 0.5603048390558686
Energy: 0.6136068788548512
Energy: 0.560304839056938
Energy: 0.6089071852377642
Energy: 0.45328648513280745
Energy: 0.5158645948855601
Energy: 0.45328648513280745
Energy: 0.7467813883749377
Energy: 0.4549865225711943
Energy: 0.4529735139766345
Energy: 0.45498652256959027
Energy: 0.6115083050718736
Energy: 0.3466307931961158
Energy: 0.5122230695576333
Energy: 0.3466307931977199
Energy: 0.6962909262046998
Energy: 0.34663693542249896
Energy: 0.4040292721938566
Energy: 0.3466369354192907
Energy: 0.747249142288292
Energy: 0.3469716525000126
Energy: 0.40321343111417085
Energy: 0.3469716524984571
Energy: 0.6954816031720173
Energy: 0.348334734338266
Energy: 0.4012598665135864
Energy: 0.348334734338266
Energy: 0.7797739947104578
Energy: 0.3474051663628244
Energy: 0.35130473099792436
Energy: 0.3474051663628244
Energy: 0.7388771104453006
Energy: 0.3472690385155907
Energy: 0.35236461219646653
Energy: 0.34726903851612534

minimum gb energy = 0.3464411985798217 eV
minimum distance =  2.58470113821828 Angstroms
sigma value = 85


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

Energy: 0.7056993440401577
Energy: 0.49223231172664206
Energy: 0.31526875430105955
Energy: 0.49223231172710585
Energy: 0.7967394487954462
Energy: 0.3155360353340733
Energy: 0.36145173428931554
Energy: 0.31553603533453706
Energy: 0.6819873138050995
Energy: 0.3152797539563021
Energy: 0.3613832627644167
Energy: 0.3152797539567659
Energy: 0.6023707885631654
Energy: 0.33850359853478806
Energy: 0.4593834340459932
Energy: 0.33850359853432427
Energy: 0.763719880703427
Energy: 0.3158721597328052
Energy: 0.45844292398914405
Energy: 0.3158721596725596
Energy: 0.6024797443939265
Energy: 0.4130814366722772
Energy: 0.4592113800715081
Energy: 0.4130814366755235
Energy: 0.6026246157114941
Energy: 0.46679388608986255
Energy: 0.5472943594538797
Energy: 0.46679388608986255
Energy: 0.6978940078433771
Energy: 0.4661175137617281
Energy: 0.4832053216861423
Energy: 0.4661175137603369
Energy: 0.6056531692910682
Energy: 0.502618744467098
Energy: 0.5483242097417064
Energy: 0.5026187444647793
Energy: 0.6048716429209904
Energy: 0.5138609961965221
Energy: 0.6273041923453411
Energy: 0.5138609961969859
Energy: 0.5479897886959423
Energy: 0.5021551109082428
Energy: 0.5639016264093996
Energy: 0.5021551109096343
Energy: 0.5269165258487446
Energy: 0.5030229759717311
Energy: 0.62589630237289
Energy: 0.5030229759731223
Energy: 0.5491409742006056
Energy: 0.5051426365598352
Energy: 0.6432489317025717
Energy: 0.5051426365607626
Energy: 0.45366244229378655
Energy: 0.3966403393790393
Energy: 0.563432367903482
Energy: 0.3966403393790393
Energy: 0.4314268641874002
Energy: 0.3733427319178714
Energy: 0.7060857863368887
Energy: 0.37334273191879885
Energy: 0.453893698696414
Energy: 0.3741718394114241
Energy: 0.6430864836500144
Energy: 0.3741718394104967
Energy: 0.36422832860598686
Energy: 0.31545753389491604
Energy: 0.6419419947084474
Energy: 0.3154575338958436
Energy: 0.3637342073412593
Energy: 0.3152906465996214
Energy: 0.7784038633866279
Energy: 0.3152906465982302
Energy: 0.3643894409746524
Energy: 0.315772824296951
Energy: 0.7202143667864932
Energy: 0.315772824295096
Energy: 0.33785671678667817
Energy: 0.31515041618981926
Energy: 0.7201845083076667
Energy: 0.31515041618935546
Energy: 0.33660716261160756
Energy: 0.31352565138224714
Energy: 0.7970690943182518
Energy: 0.31352565138131966
Energy: 0.3368011694794006
Energy: 0.31364938737319775
Energy: 0.6609943589312962
Energy: 0.31364938737366155
Energy: 0.38279263664590274
Energy: 0.31411007560081095
Energy: 0.7399525182086029
Energy: 0.31411007560081095
Energy: 0.3852023416069529
Energy: 0.3148523944503233
Energy: 0.7423843433662313
Energy: 0.3148523944521783
Energy: 0.38427594628848927
Energy: 0.3152390743064131
Energy: 0.6023950227205304
Energy: 0.3152390743064131
Energy: 0.4627658930008166
Energy: 0.4569452612417161
Energy: 0.7611050984808873
Energy: 0.4569452612407886
Energy: 0.4608815067317091
Energy: 0.45721200484369756
Energy: 0.6837519014522925
Energy: 0.45721200484276997
Energy: 0.5429994210174267
Energy: 0.4954027396838102
Energy: 0.6024909705460645
Energy: 0.4954027396828828
Energy: 0.5428178711136807
Energy: 0.47221436770018343
Energy: 0.7037001909649838
Energy: 0.4722143677015747
Energy: 0.5436963909134207
Energy: 0.5002940322974476
Energy: 0.604425882195186
Energy: 0.5002940322969839
Energy: 0.626958193035151
Energy: 0.5054815565737169
Energy: 0.5257522366965248
Energy: 0.5054815565751081
Energy: 0.5637452746351406
Energy: 0.5119360513186595
Energy: 0.6252482693773236
Energy: 0.5119360513209781
Energy: 0.6267587964562361
Energy: 0.5022363132744952
Energy: 0.5261776097928728
Energy: 0.502236313274959
Energy: 0.7054892760768261
Energy: 0.5056727198220133
Energy: 0.5258306380369289
Energy: 0.5056727198238684
Energy: 0.5633218650852247
Energy: 0.41739227091401887
Energy: 0.5618885338864563
Energy: 0.4173922709135552
Energy: 0.705611422598755
Energy: 0.4126055203634122
Energy: 0.45875642083819956
Energy: 0.4126055203643398
Energy: 0.722072971887552
Energy: 0.31621621983784465
Energy: 0.4593695712235228
Energy: 0.31621621983738085
Energy: 0.6419602166653057
Energy: 0.3162759228882117
Energy: 0.3615260767560295
Energy: 0.3162759228872842
Energy: 0.7801351977632659
Energy: 0.31518867182802107
Energy: 0.36182816275952995
Energy: 0.31518867182709354
Energy: 0.7204273570122994
Energy: 0.3160636355969714
Energy: 0.3620226408556476
Energy: 0.31606363559465267
Energy: 0.6417935582163367
Energy: 0.3156543497303081
Energy: 0.31556962117401227
Energy: 0.3156543497298443
Energy: 0.8134343429518027
Energy: 0.3154779403473861
Energy: 0.3157107184722659
Energy: 0.3154779403469223
Energy: 0.6810322887000773
Energy: 0.3166271029615467
Energy: 0.3154741370343002
Energy: 0.3166271029615467

minimum gb energy = 0.31352565138131966 eV
minimum distance =  2.57650161425548 Angstroms
sigma value = 113


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

Energy: 0.011785348023659792
Energy: 0.012342084017477049
Energy: 0.6765304690737175
Energy: 0.01234208401712054
Energy: 0.013284086211939841
Energy: 0.06732737618275146
Energy: 0.35711680628365167
Energy: 0.06732737618308816
Energy: 0.012254393854264049
Energy: 0.06706219896277558
Energy: 0.35531752806559624
Energy: 0.06706219896241906
Energy: 0.013315505032491856
Energy: 0.06649830516913903
Energy: 0.35418946216335023
Energy: 0.06649830516985207
Energy: 0.3562876734019135
Energy: 0.06770705001735414
Energy: 0.3560579444559832
Energy: 0.06770705001596772
Energy: 0.012073734952698074
Energy: 0.06684078057233596
Energy: 0.3554597426179122
Energy: 0.06684078057199926

minimum gb energy = 0.011785348023659792 eV
minimum distance =  2.81675727486078 Angstroms
sigma value = 1