Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_003
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=4.032082714140415
cohesive_energy=3.360264268222285
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=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19, 5.08309763256108e-19, 4.97076902875134e-19, 4.82684550171912e-19, 4.64257916704278e-19, 4.4051045463513e-19, 4.0974385673242797e-19, 3.6964297776004196e-19, 3.1709478851811e-19, 2.4833737826999997e-19, 1.5840928663320418e-19, 4.12278500167416e-20, -1.1152302939816479e-19, -3.07430459061822e-19, -5.54157649814652e-19, -8.579015004416399e-19, -1.239825162101292e-18, -1.7681461115160597e-18, -2.4845754151755e-18, -3.44017764675846e-18, -4.86518558857074e-18, -7.24412949826662e-18, -1.109126001006108e-17, -2.01959171245602e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010416749840190039
Energy: 0.05612205309616113
Energy: 0.3375055439748667
Energy: 0.05612205309369631
Energy: 0.05612205309319215
Energy: 0.4115471063045405
Energy: 0.05612205309271599
Energy: 0.4115471063045405
Energy: 0.3375055439748667
Energy: 0.05612205309616113
Energy: 0.010416749840190039
Energy: 0.05612205309271599
Energy: 0.05612205309467663
Energy: 0.4115471063045405
Energy: 0.05612205309271599
Energy: 0.41154710630504465

minimum gb energy = 0.010416749840190039 eV
minimum distance =  2.80706337382216 Angstroms
sigma value = 1


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

Energy: 0.6716787349559782
Energy: 0.5104343135502346
Energy: 0.5118905065099785
Energy: 0.510434313550846
Energy: 0.46889023838483834
Energy: 0.5079746415213569
Energy: 0.46923444634892025
Energy: 0.5079746415201339
Energy: 0.5105759822394488
Energy: 0.5103865681977812
Energy: 0.7316129807446446
Energy: 0.5103865681977812
Energy: 0.4716008764287109
Energy: 0.47006348374195916
Energy: 0.4699044722286342
Energy: 0.47006348374195916
Energy: 0.6252303229405795
Energy: 0.4696981001123466
Energy: 0.47137746666890634
Energy: 0.46969810011173513
Energy: 0.49061600005283046
Energy: 0.47557724922647276
Energy: 0.4767640179608032
Energy: 0.4755772492258613
Energy: 0.4928714924753954
Energy: 0.49524468419916917
Energy: 0.48393673960236494
Energy: 0.49524468419916917
Energy: 0.48681336835684735
Energy: 0.5012804749108247
Energy: 0.5020640706591983
Energy: 0.5012804749102132
Energy: 0.5046023797248373
Energy: 0.5083458840023075
Energy: 0.5076924502878417
Energy: 0.508345884002919
Energy: 0.4981242666573826
Energy: 0.5062834923803413
Energy: 0.4858366421732199
Energy: 0.5062834923797299
Energy: 0.48337947682504
Energy: 0.507979146662879
Energy: 0.5418994245886793
Energy: 0.5079791466634904
Energy: 0.48786726089335325
Energy: 0.5108754884073219
Energy: 0.5000681862038329
Energy: 0.5108754884073219
Energy: 0.49159678768799864
Energy: 0.4947534817664664
Energy: 0.48177790398479564
Energy: 0.4947534817646321
Energy: 0.4909349963278258
Energy: 0.4936911967839574
Energy: 0.48997175459173425
Energy: 0.49369119678334594
Energy: 0.4816101933597806
Energy: 0.4689522755500381
Energy: 0.469142850093138
Energy: 0.46895227555064956
Energy: 0.48278871442510235
Energy: 0.4696655361682074
Energy: 0.4692112636681752
Energy: 0.46966553616759593
Energy: 0.511372001758691
Energy: 0.5105757192012084
Energy: 0.4710165708770125
Energy: 0.5105757192012084
Energy: 0.4691574213688343
Energy: 0.4708511910026291
Energy: 0.47635346298708486
Energy: 0.4708511910026291
Energy: 0.4773507892629277
Energy: 0.5104783423080191
Energy: 0.5121977184892177
Energy: 0.5104783423080191
Energy: 0.48954523061928984
Energy: 0.47163459710943806
Energy: 0.4716594161844393
Energy: 0.4716345971088266
Energy: 0.47079373677298525
Energy: 0.4700145993482972
Energy: 0.48334287583153207
Energy: 0.47001459934707435
Energy: 0.4763184568412508
Energy: 0.47117321199619594
Energy: 0.48967958809200485
Energy: 0.47117321199680734
Energy: 0.48377557296344614
Energy: 0.4952671992986799
Energy: 0.4947403848636778
Energy: 0.4952671992986799
Energy: 0.4993528716951644
Energy: 0.4941155024484333
Energy: 0.4853968851376109
Energy: 0.4941155024472103
Energy: 0.5051389479424557
Energy: 0.509506133910521
Energy: 0.5422450042244638
Energy: 0.5095061339099096
Energy: 0.48639729864205866
Energy: 0.5078978781334396
Energy: 0.4990031124989271
Energy: 0.5078978781328282
Energy: 0.5436943325284047
Energy: 0.5089749440877173
Energy: 0.4836343396519565
Energy: 0.5089749440877173
Energy: 0.49879857730165617
Energy: 0.5073720217431877
Energy: 0.4858438247140624
Energy: 0.5073720217431877
Energy: 0.4820660099628835
Energy: 0.49486319497135234
Energy: 0.491548178009653
Energy: 0.4948631949707409
Energy: 0.48990079383132207
Energy: 0.49549429035961434
Energy: 0.4914835136794838
Energy: 0.4954942903590029
Energy: 0.46888298354809105
Energy: 0.4688838690108629
Energy: 0.4814024154597054
Energy: 0.4688838690108629
Energy: 0.46894558842604167
Energy: 0.4694527652907861
Energy: 0.48287268180913867
Energy: 0.4694527652913975
Energy: 0.47110887405720747
Energy: 0.510620992876566
Energy: 0.5121447303195334
Energy: 0.510620992877789

minimum gb energy = 0.46888298354809105 eV
minimum distance =  2.59104738956788 Angstroms
sigma value = 1


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

Energy: 0.7673196128567038
Energy: 0.5296527097326053
Energy: 0.5295029481117612
Energy: 0.5296527097326053
Energy: 0.4838242108053516
Energy: 0.5246104907483244
Energy: 0.48397362349329814
Energy: 0.5246104907434443
Energy: 0.5299538246600113
Energy: 0.5293467451987836
Energy: 0.7019020891037885
Energy: 0.5293467451973892
Energy: 0.486220141180791
Energy: 0.4841885022731901
Energy: 0.483839155331344
Energy: 0.4841885022759787
Energy: 0.49513809635964595
Energy: 0.4840240590397684
Energy: 0.48432078371250864
Energy: 0.4840240590390712
Energy: 0.509749330088762
Energy: 0.48454284493497213
Energy: 0.49228526851951543
Energy: 0.48454284493497213
Energy: 0.5169587524425099
Energy: 0.5182496345633008
Energy: 0.5316460479528408
Energy: 0.5182496345626035
Energy: 0.5022001972667914
Energy: 0.5249760407344178
Energy: 0.5167157061481885
Energy: 0.5249760407344178
Energy: 0.5019756321572992
Energy: 0.533753156952865
Energy: 0.5417504015662296
Energy: 0.533753156952865
Energy: 0.5176400854365254
Energy: 0.5355944201134987
Energy: 0.5044229585761969
Energy: 0.5355944201128016
Energy: 0.5003890150597632
Energy: 0.5160356464225808
Energy: 0.5167145997202718
Energy: 0.5160356464204893
Energy: 0.5119840046003453
Energy: 0.5172698589916508
Energy: 0.5089242972220095
Energy: 0.5172698589951364
Energy: 0.4845831679943766
Energy: 0.48390845279060035
Energy: 0.49983620489557784
Energy: 0.48390845279129757
Energy: 0.4835706759864766
Energy: 0.4838610745252372
Energy: 0.4983399923654567
Energy: 0.48386107452384286
Energy: 0.4780066234664823
Energy: 0.5296879507961324
Energy: 0.5291127694832618
Energy: 0.5296879508003154
Energy: 0.4893539725250241
Energy: 0.4872071269866508
Energy: 0.4841130372439929
Energy: 0.4872071269887423
Energy: 0.5309435706322999
Energy: 0.5293538813776989
Energy: 0.49451713593383506
Energy: 0.5293538813776989
Energy: 0.48626777349848754
Energy: 0.48616816772779636
Energy: 0.5082229208947651
Energy: 0.48616816773058497
Energy: 0.49463323089708466
Energy: 0.48388190849697255
Energy: 0.4854582147001476
Energy: 0.48388190849697255
Energy: 0.5088559916464254
Energy: 0.48391975805051096
Energy: 0.49326735761278984
Energy: 0.4839197580484195
Energy: 0.5178186744232325
Energy: 0.5163560561601577
Energy: 0.5321686912753836
Energy: 0.5163560561608548
Energy: 0.5032374053253796
Energy: 0.516253311145282
Energy: 0.5176829501561988
Energy: 0.5162533111487676
Energy: 0.5331955269438446
Energy: 0.5329683385279902
Energy: 0.5424748537830903
Energy: 0.5329683385245046
Energy: 0.5173598660689304
Energy: 0.5334338130776308
Energy: 0.5037092571450512
Energy: 0.5334338130776308
Energy: 0.5003786480165734
Energy: 0.5167692795598042
Energy: 0.5168291326668523
Energy: 0.5167692795577128
Energy: 0.5075562959186062
Energy: 0.5170537402818834
Energy: 0.5084176368613469
Energy: 0.5170537402804891
Energy: 0.483934350364245
Energy: 0.4841581835000342
Energy: 0.4998750764254553
Energy: 0.48415818349794276
Energy: 0.4847297428850744
Energy: 0.48435743897688677
Energy: 0.4992713203557823
Energy: 0.48435743897688677
Energy: 0.4779131672898992
Energy: 0.5298289310909894
Energy: 0.5292002971042857
Energy: 0.5298289310895951

minimum gb energy = 0.4779131672898992 eV
minimum distance =  2.59633278474765 Angstroms
sigma value = 25


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

Energy: 0.73016035007562
Energy: 0.548662945848237
Energy: 0.5480724076802594
Energy: 0.548662945848237
Energy: 0.4989976387431008
Energy: 0.5401328151928599
Energy: 0.499115452214537
Energy: 0.5401328151936704
Energy: 0.5482237310735415
Energy: 0.5490520023843762
Energy: 0.6609536460643098
Energy: 0.5490520023843762
Energy: 0.5027805301036804
Energy: 0.5572809445986819
Energy: 0.49931832179615715
Energy: 0.5572809445994924
Energy: 0.5072651413645778
Energy: 0.49908533028220925
Energy: 0.5002052557104361
Energy: 0.49908533028220925
Energy: 0.5307167365110496
Energy: 0.5001722292818174
Energy: 0.5087564570529521
Energy: 0.5001722292826277
Energy: 0.5497479020005293
Energy: 0.5439855554015743
Energy: 0.5503760909225668
Energy: 0.5439855554007639
Energy: 0.5224802190185154
Energy: 0.5449646838037234
Energy: 0.536271569239707
Energy: 0.5449646838037234
Energy: 0.5515642652955334
Energy: 0.5441992482663373
Energy: 0.5887401970170137
Energy: 0.5441992482671477
Energy: 0.5489642442609263
Energy: 0.5459814775143171
Energy: 0.5083962356476996
Energy: 0.5459814775135067
Energy: 0.4892005753230027
Energy: 0.4994103835130437
Energy: 0.500468636305869
Energy: 0.4994103835130437
Energy: 0.5128712590057907
Energy: 0.49913219850895457
Energy: 0.49908712558289126
Energy: 0.49913219850895457
Energy: 0.5474280187293221
Energy: 0.5484322628139735
Energy: 0.4983153346203283
Energy: 0.5484322628131629
Energy: 0.4992522373203473
Energy: 0.5030171610004963
Energy: 0.5120256372848826
Energy: 0.5030171610004963
Energy: 0.5125323182910873
Energy: 0.5487750157984204
Energy: 0.5491877478300375
Energy: 0.5487750157992309
Energy: 0.5298864049246986
Energy: 0.5025312738427593
Energy: 0.5023450959043072
Energy: 0.5025312738427593
Energy: 0.5010382194441779
Energy: 0.4996626693293724
Energy: 0.5072383950317972
Energy: 0.499662669328562
Energy: 0.5004542766546148
Energy: 0.49982244074570287
Energy: 0.5309404438763186
Energy: 0.4998224407465134
Energy: 0.5501940811381777
Energy: 0.5440941947664014
Energy: 0.5246832570960468
Energy: 0.544094194765591
Energy: 0.5373089710779916
Energy: 0.5442543783057453
Energy: 0.5249668126311442
Energy: 0.5442543783065558
Energy: 0.5873965574521708
Energy: 0.5441415409755186
Energy: 0.5514757923387187
Energy: 0.5441415409755186
Energy: 0.5213989546650143
Energy: 0.5459310014698249
Energy: 0.5305636501404171
Energy: 0.5459310014698249
Energy: 0.49980238854513925
Energy: 0.4995966381398486
Energy: 0.48855945797424893
Energy: 0.4995966381398486
Energy: 0.4991850893772735
Energy: 0.5027427298451401
Energy: 0.5129133073664541
Energy: 0.5027427298451401
Energy: 0.4878245706668476
Energy: 0.5485445545648939
Energy: 0.5480107156761258
Energy: 0.5485445545648939

minimum gb energy = 0.4878245706668476 eV
minimum distance =  2.59276563291611 Angstroms
sigma value = 9


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

Energy: 0.7306008260499255
Energy: 0.5764306579413602
Energy: 0.5769086879526312
Energy: 0.5764306579423271
Energy: 0.5569910937952027
Energy: 0.564241226920941
Energy: 0.5350289777328548
Energy: 0.564241226920941
Energy: 0.580072983730996
Energy: 0.5792137389487179
Energy: 0.5600647403050687
Energy: 0.5792137389496846
Energy: 0.5522053461189533
Energy: 0.5639247396090226
Energy: 0.5345372749049807
Energy: 0.5639247396090226
Energy: 0.6408042668045313
Energy: 0.5333390418827424
Energy: 0.5342395658976837
Energy: 0.5333390418817757
Energy: 0.5909640461620305
Energy: 0.5338547595580934
Energy: 0.5358438862491296
Energy: 0.5338547595580934
Energy: 0.5741443520361157
Energy: 0.5863485349455352
Energy: 0.554471430601708
Energy: 0.5863485349465019
Energy: 0.5609075173332784
Energy: 0.5778885852591965
Energy: 0.5714109812136271
Energy: 0.5778885852582297
Energy: 0.5633938334282682
Energy: 0.5638326951923212
Energy: 0.5163346076189355
Energy: 0.5638326951932879
Energy: 0.5956893400132284
Energy: 0.5428646483550936
Energy: 0.5165118580779975
Energy: 0.54286464835316
Energy: 0.4926504751722555
Energy: 0.503717922557936
Energy: 0.5036499288210858
Energy: 0.503717922557936
Energy: 0.5802341865688668
Energy: 0.4928369682201772
Energy: 0.5039959377784353
Energy: 0.492836968221144
Energy: 0.6119920899635972
Energy: 0.6105994728939483
Energy: 0.5600774973882205
Energy: 0.6105994728920147
Energy: 0.5693224926108527
Energy: 0.579908407369537
Energy: 0.5821501770424115
Energy: 0.5799084073705039
Energy: 0.5245182763409181
Energy: 0.5452320752628569
Energy: 0.535491735374764
Energy: 0.5452320752647903
Energy: 0.5907621011769568
Energy: 0.5452862029743907
Energy: 0.5357211859650169
Energy: 0.5452862029753575
Energy: 0.5743896744505715
Energy: 0.5897428325904814
Energy: 0.5532933445606558
Energy: 0.5897428325895148
Energy: 0.5642999481001125
Energy: 0.5904432488669615
Energy: 0.5846493463607334
Energy: 0.5904432488669615
Energy: 0.5311014655750584
Energy: 0.5306873841192032
Energy: 0.5167122616383539
Energy: 0.5306873841192032
Energy: 0.5569019368314164
Energy: 0.535709265382091
Energy: 0.5168449718197877
Energy: 0.5357092653811243
Energy: 0.5265670349077082
Energy: 0.5762866698722288
Energy: 0.5772193358962113
Energy: 0.576286669871262

minimum gb energy = 0.4926504751722555 eV
minimum distance =  2.56869598630088 Angstroms
sigma value = 25


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

Energy: 0.5946596807907026
Energy: 0.5817589180973709
Energy: 0.5830281042746444
Energy: 0.5817589180961753
Energy: 0.560434405097844
Energy: 0.5396799906057599
Energy: 0.560320636315943
Energy: 0.5396799906057599
Energy: 0.5819538565495519
Energy: 0.5818815738768583
Energy: 0.6139776050104411
Energy: 0.5818815738756627
Energy: 0.5538302351816092
Energy: 0.5393404892353687
Energy: 0.5602953876505152
Energy: 0.5393404892353687
Energy: 0.5448484387639516
Energy: 0.5774551936728018
Energy: 0.5482816776059181
Energy: 0.5774551936739974
Energy: 0.6174300772946132
Energy: 0.5469369764669709
Energy: 0.5137957576234192
Energy: 0.5469369764669709
Energy: 0.5958903349491176
Energy: 0.547638293429888
Energy: 0.5457401531321139
Energy: 0.5476382934310837
Energy: 0.5569490497736318
Energy: 0.5770615688741422
Energy: 0.5603067258417445
Energy: 0.5770615688741422
Energy: 0.5818862531553117
Energy: 0.581421156437659
Energy: 0.6097888960332489
Energy: 0.581421156437659
Energy: 0.5813168476489021
Energy: 0.5532580681352945
Energy: 0.6101383163707229
Energy: 0.5532580681352945
Energy: 0.6142880470505779
Energy: 0.583057433393638
Energy: 0.583769495955223
Energy: 0.5830574333948336
Energy: 0.6139476034566256
Energy: 0.5536490634698413
Energy: 0.5536857722380533
Energy: 0.5536490634686457
Energy: 0.5461569697332842
Energy: 0.5784666361749283
Energy: 0.5448937776873319
Energy: 0.5784666361749283
Energy: 0.5491634949978638
Energy: 0.5464024857075643
Energy: 0.5532010220066151
Energy: 0.5464024857075643
Energy: 0.5453662926756199
Energy: 0.5468546756603946
Energy: 0.5997403718232066
Energy: 0.5468546756615903
Energy: 0.5609278367881754
Energy: 0.5776864882374286
Energy: 0.5979088461942424
Energy: 0.5776864882374286
Energy: 0.610076480147139
Energy: 0.5817746134300851
Energy: 0.583218070421252
Energy: 0.5817746134312808

minimum gb energy = 0.5137957576234192 eV
minimum distance =  2.58852340391986 Angstroms
sigma value = 17


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

Energy: 0.8185052522932759
Energy: 0.6454481714275642
Energy: 0.6464484617679558
Energy: 0.6454481714275642
Energy: 0.5512207639546718
Energy: 0.5354385010165845
Energy: 0.6404375159437892
Energy: 0.5354385010159074
Energy: 0.5524306096337184
Energy: 0.5514542631021486
Energy: 0.6684065825312083
Energy: 0.5514542631021486
Energy: 0.5355909843587146
Energy: 0.5360539546770375
Energy: 0.6169485460188553
Energy: 0.5360539546756832
Energy: 0.6166506653469749
Energy: 0.595740118845214
Energy: 0.5721354600110877
Energy: 0.5957401188458912
Energy: 0.617975842806296
Energy: 0.594522957398521
Energy: 0.5759383008529192
Energy: 0.594522957398521
Energy: 0.6589028084648216
Energy: 0.5510824788579731
Energy: 0.551793233687015
Energy: 0.5510824788586502
Energy: 0.6505943989534382
Energy: 0.5362779556101054
Energy: 0.5512264908567307
Energy: 0.5362779556101054
Energy: 0.6474955814502966
Energy: 0.6457185956636572
Energy: 0.6690460834700139
Energy: 0.6457185956629801
Energy: 0.6455461455667825
Energy: 0.605790054764113
Energy: 0.6262946720255416
Energy: 0.6057900547647901
Energy: 0.6154093378397472
Energy: 0.5391203200262558
Energy: 0.5400395757079857
Energy: 0.5391203200262558
Energy: 0.6177995419871256
Energy: 0.539417554091432
Energy: 0.5396924470526956
Energy: 0.539417554091432
Energy: 0.6182959899611116
Energy: 0.5390340193019671
Energy: 0.5388993963409815
Energy: 0.53903401930129
Energy: 0.6586067078522171
Energy: 0.5632449404431101
Energy: 0.5395344128614136
Energy: 0.5632449404424328
Energy: 0.6463157373162608
Energy: 0.6221134451668402
Energy: 0.6494367491369405
Energy: 0.6221134451661632
Energy: 0.6461039486265421
Energy: 0.6453912633834235
Energy: 0.6493941199204879
Energy: 0.6453912633827463
Energy: 0.6685912129835437
Energy: 0.551318078060765
Energy: 0.5514384007565724
Energy: 0.5513180780621194
Energy: 0.671438125008951
Energy: 0.551291650393171
Energy: 0.5514206076097811
Energy: 0.551291650393171
Energy: 0.5774692819384668
Energy: 0.5977751404180108
Energy: 0.6169791304178776
Energy: 0.597775140418688
Energy: 0.5662739922717068
Energy: 0.5968478978922763
Energy: 0.6166509795587144
Energy: 0.5968478978915992
Energy: 0.551368043669419
Energy: 0.5360849433999464
Energy: 0.6619790819381722
Energy: 0.5360849434013008
Energy: 0.5511941935142556
Energy: 0.5514998756693831
Energy: 0.6616289593897342
Energy: 0.5514998756680289
Energy: 0.6408359844704697
Energy: 0.605970171500548
Energy: 0.6384326999805203
Energy: 0.605970171500548
Energy: 0.6690572495409614
Energy: 0.6450526426058557
Energy: 0.6448655443898633
Energy: 0.6450526426051785
Energy: 0.5403648200340733
Energy: 0.5352429396050092
Energy: 0.6179452655011898
Energy: 0.5352429396043321
Energy: 0.5394139845376356
Energy: 0.5390681052583137
Energy: 0.6149847276419061
Energy: 0.539068105258991
Energy: 0.5241802136128768
Energy: 0.5783285508676136
Energy: 0.6520451836859846
Energy: 0.5783285508669364
Energy: 0.541649264893785
Energy: 0.5390476376599606
Energy: 0.6620769480906702
Energy: 0.5390476376606377
Energy: 0.539170785490358
Energy: 0.6070315116306381
Energy: 0.5608727980607874
Energy: 0.6070315116313153
Energy: 0.6726560745867428
Energy: 0.6451530776272825
Energy: 0.6459759139897305
Energy: 0.6451530776279596

minimum gb energy = 0.5241802136128768 eV
minimum distance =  2.56829126015599 Angstroms
sigma value = 53


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

Energy: 0.7339153266822914
Energy: 0.5889169682694724
Energy: 0.5939500353145506
Energy: 0.5889169682694724
Energy: 0.5647712476256063
Energy: 0.5167738618530044
Energy: 0.6092970102455991
Energy: 0.5167738618561223
Energy: 0.5902695425136395
Energy: 0.5911384010506262
Energy: 0.5831112613687707
Energy: 0.5911384010506262
Energy: 0.5638063504836053
Energy: 0.5166958336916531
Energy: 0.57584859667118
Energy: 0.5166958336916531
Energy: 0.5849035958988221
Energy: 0.516294285009225
Energy: 0.4763495417397737
Energy: 0.516294285010784
Energy: 0.562627611608867
Energy: 0.5177942580122504
Energy: 0.4765443613146944
Energy: 0.5177942580122504
Energy: 0.6459379628734851
Energy: 0.5874857783113825
Energy: 0.5904096547508876
Energy: 0.5874857783113825
Energy: 0.6768214690036327
Energy: 0.5634816503760394
Energy: 0.6125747468297529
Energy: 0.5634816503744806
Energy: 0.5900946552426323
Energy: 0.590934272811305
Energy: 0.5825120627675594
Energy: 0.5909342728097461
Energy: 0.5945760596221861
Energy: 0.5638856112289022
Energy: 0.5768389264398118
Energy: 0.5638856112289022
Energy: 0.5857496333774391
Energy: 0.51649881827547
Energy: 0.4765795894753703
Energy: 0.5164988182739112
Energy: 0.5639248977050577
Energy: 0.5160243416996684
Energy: 0.47934592985786284
Energy: 0.5160243416981094
Energy: 0.6776118915849968
Energy: 0.563543777102902
Energy: 0.5942826103408615
Energy: 0.5635437771013432

minimum gb energy = 0.4763495417397737 eV
minimum distance =  2.58576828444184 Angstroms
sigma value = 9


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

Energy: 0.7155919823861883
Energy: 0.6815756721824936
Energy: 0.6801385250156663
Energy: 0.6815756721824936
Energy: 0.5945923176037821
Energy: 0.5400076744780253
Energy: 0.739338412255567
Energy: 0.5400076744774485
Energy: 0.532141377182798
Energy: 0.5325887370367958
Energy: 0.6526719301939242
Energy: 0.5325887370367958
Energy: 0.5350345005896411
Energy: 0.5405782443658056
Energy: 0.6927397964141477
Energy: 0.5405782443663826
Energy: 0.5335852365496854
Energy: 0.5312333599824898
Energy: 0.6917929573792252
Energy: 0.5312333599819128
Energy: 0.5880445674796996
Energy: 0.5316319541824315
Energy: 0.6828652261191703
Energy: 0.5316319541818544
Energy: 0.6799200263795109
Energy: 0.6729112394722357
Energy: 0.6809734870017832
Energy: 0.6729112394722357
Energy: 0.6822942761883213
Energy: 0.6537588447811918
Energy: 0.6746002729849724
Energy: 0.6537588447811918
Energy: 0.5770903151760235
Energy: 0.592522150111803
Energy: 0.5615921300086005
Energy: 0.5925221501123801
Energy: 0.5172103889217973
Energy: 0.5636207905390815
Energy: 0.6600378207557229
Energy: 0.5636207905385047
Energy: 0.5864056061219992
Energy: 0.5759303486900749
Energy: 0.6678377887733145
Energy: 0.575930348689498
Energy: 0.5851576034053628
Energy: 0.5853628397306587
Energy: 0.696017500921821
Energy: 0.5853628397300817
Energy: 0.6836199524359158
Energy: 0.5757707947336763
Energy: 0.6424502200184808
Energy: 0.5757707947342533
Energy: 0.6850525635732974
Energy: 0.5848340731462833
Energy: 0.5874425904243606
Energy: 0.5848340731451294
Energy: 0.674922311658008
Energy: 0.563764675476805
Energy: 0.5669232875484485
Energy: 0.5637646754808439
Energy: 0.6044490657199069
Energy: 0.5883488283813885
Energy: 0.5666291277099823
Energy: 0.5883488283813885
Energy: 0.6759160750224291
Energy: 0.5911275291631445
Energy: 0.5913914134347632
Energy: 0.5911275291631445
Energy: 0.6759947031691024
Energy: 0.6744860170903784
Energy: 0.6976521604804674
Energy: 0.6744860170898014
Energy: 0.7382760784053253
Energy: 0.7034587610996531
Energy: 0.6384793411916984
Energy: 0.7034587610996531
Energy: 0.6518635449186648
Energy: 0.5321948514862227
Energy: 0.5321767440820916
Energy: 0.5321948514850687
Energy: 0.6933617416493574
Energy: 0.5404585074970525
Energy: 0.5344807999895378
Energy: 0.5404585074964756
Energy: 0.6906120300086448
Energy: 0.5310277286739633
Energy: 0.5319855025830827
Energy: 0.5310277286728093
Energy: 0.6911573538145773
Energy: 0.5317690262678181
Energy: 0.5317232688354586
Energy: 0.5317690262649333
Energy: 0.6825167373209512
Energy: 0.6729061341423457
Energy: 0.6811120252159742
Energy: 0.6729061341411918
Energy: 0.6744168814218494
Energy: 0.6549143223339371
Energy: 0.6808392126552184
Energy: 0.6549143223350911
Energy: 0.5628840590699966
Energy: 0.594247142141956
Energy: 0.5783574026113788
Energy: 0.5942471421413791
Energy: 0.648496874452541
Energy: 0.5631859109663458
Energy: 0.5167454062856675
Energy: 0.5631859109669229
Energy: 0.6683590933443274
Energy: 0.5858373692354768
Energy: 0.5871685685747913
Energy: 0.5858373692366307
Energy: 0.6952832657126435
Energy: 0.5847098065896235
Energy: 0.5851600130202722
Energy: 0.5847098065896235
Energy: 0.6365554769794297
Energy: 0.5875861278349422
Energy: 0.6915911656816917
Energy: 0.5875861278349422
Energy: 0.5884994664497728
Energy: 0.585007906344469
Energy: 0.650762179267874
Energy: 0.5850079063438919
Energy: 0.5815716053258134
Energy: 0.5828255160357788
Energy: 0.6564017858841004
Energy: 0.5828255160346248
Energy: 0.5657301572415907
Energy: 0.5905196228019602
Energy: 0.6052155541849803
Energy: 0.5905196228019602
Energy: 0.5765990061117012
Energy: 0.5973571285858847
Energy: 0.6173200829070751
Energy: 0.5973571285853077
Energy: 0.6968071028643313
Energy: 0.6735655470973518
Energy: 0.6753940764381453
Energy: 0.6735655470990827

minimum gb energy = 0.5167454062856675 eV
minimum distance =  2.57509254203616 Angstroms
sigma value = 73


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

Energy: 0.7579394781503132
Energy: 0.6533668060460975
Energy: 0.6537858935058225
Energy: 0.6533668060460975
Energy: 0.5812995550848807
Energy: 0.5554058497489814
Energy: 0.651220922095898
Energy: 0.5554058497480661
Energy: 0.546086508811415
Energy: 0.5462052396696429
Energy: 0.6275721084099888
Energy: 0.5462052396714736
Energy: 0.5461202352563324
Energy: 0.5464495556095144
Energy: 0.6575769854946739
Energy: 0.5464495556095144
Energy: 0.5467283841290372
Energy: 0.5469837117747451
Energy: 0.6943809330272251
Energy: 0.5469837117747451
Energy: 0.5965126065469304
Energy: 0.5464572186442552
Energy: 0.6937364702402649
Energy: 0.5464572186433398
Energy: 0.6247601593803063
Energy: 0.6505109019058888
Energy: 0.6671191162107543
Energy: 0.6505109019049733
Energy: 0.6244134903656957
Energy: 0.6285236116851504
Energy: 0.6505366522379477
Energy: 0.6285236116869812
Energy: 0.5893888513450218
Energy: 0.6108317103240007
Energy: 0.6382446815581839
Energy: 0.6108317103230854
Energy: 0.5507386136914558
Energy: 0.6231927107097489
Energy: 0.638788891119847
Energy: 0.6231927107097489
Energy: 0.6002947736945685
Energy: 0.5700704541150132
Energy: 0.554397011728629
Energy: 0.5700704541168441
Energy: 0.5849952984863953
Energy: 0.5874032631510347
Energy: 0.6623729698104504
Energy: 0.5874032631492039
Energy: 0.629364775921494
Energy: 0.5701406356722087
Energy: 0.6170574973292874
Energy: 0.5701406356722087
Energy: 0.6287649569674785
Energy: 0.5834054060210063
Energy: 0.5846993716810032
Energy: 0.5834054060210063
Energy: 0.6540848854442263
Energy: 0.5497421336577818
Energy: 0.5545318780203022
Energy: 0.5497421336586972
Energy: 0.6932264552226629
Energy: 0.5569427850828622
Energy: 0.5563085906892202
Energy: 0.5569427850819468
Energy: 0.6890060186938797
Energy: 0.5483450094844499
Energy: 0.587605228344566
Energy: 0.5483450094853652
Energy: 0.6552623784269856
Energy: 0.6550181220456922
Energy: 0.6251456032616052
Energy: 0.6550181220447768
Energy: 0.637085461721224
Energy: 0.6276561698829451
Energy: 0.6246536836940161
Energy: 0.6276561698820297
Energy: 0.6023691270555029
Energy: 0.5692773686661194
Energy: 0.6102216363879219
Energy: 0.5692773686679503
Energy: 0.637491792337405
Energy: 0.5901376221175197
Energy: 0.5529037066014775
Energy: 0.5901376221175197
Energy: 0.6925601974459649
Energy: 0.6302356578656951
Energy: 0.6400981924706322
Energy: 0.6302356578666106

minimum gb energy = 0.546086508811415 eV
minimum distance =  2.55137620288143 Angstroms
sigma value = 7


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

Energy: 0.8989214724615
Energy: 0.6671091679778666
Energy: 0.6696501511961491
Energy: 0.6671091679798085
Energy: 0.6539026337368279
Energy: 0.6353124696648657
Energy: 0.6598685999300787
Energy: 0.6353124696622765
Energy: 0.532980709573873
Energy: 0.5328427744068979
Energy: 0.581797444305991
Energy: 0.5328427744101343
Energy: 0.5351509997346615
Energy: 0.5329391388103006
Energy: 0.6605151771578063
Energy: 0.5329391388154789
Energy: 0.5694251570815668
Energy: 0.5656079207369638
Energy: 0.6399737742397655
Energy: 0.5656079207369638
Energy: 0.566615184676475
Energy: 0.5658418856906559
Energy: 0.6413277131162939
Energy: 0.5658418856906559
Energy: 0.6943578977642725
Energy: 0.581109527176805
Energy: 0.5666959965749789
Energy: 0.581109527176805
Energy: 0.7076466435205904
Energy: 0.5659180907250863
Energy: 0.5661892440648435
Energy: 0.5659180907212025
Energy: 0.6961239202440332
Energy: 0.5474440442738387
Energy: 0.5327190294137164
Energy: 0.5474440442744861
Energy: 0.6393268356629211
Energy: 0.5327356410904437
Energy: 0.5321651714385934
Energy: 0.532735641091091
Energy: 0.7043920974386477
Energy: 0.6241450198004437
Energy: 0.5656944200911972
Energy: 0.6241450198062694
Energy: 0.6432080797892399
Energy: 0.6436020969954842
Energy: 0.695611665440531
Energy: 0.6436020969935423
Energy: 0.6341431836876438
Energy: 0.5581373709606341
Energy: 0.6452297021787
Energy: 0.5581373709625759
Energy: 0.5862591005505547
Energy: 0.5568202396747071
Energy: 0.527489480867053
Energy: 0.5568202396740598
Energy: 0.6426104326195868
Energy: 0.5577589687691661
Energy: 0.5675310712131759
Energy: 0.5577589687685188
Energy: 0.7416143427996236
Energy: 0.6440774920035687
Energy: 0.6436923677734316
Energy: 0.6440774920061578
Energy: 0.7421926081037389
Energy: 0.6248118189322361
Energy: 0.6628566827134759
Energy: 0.6248118189309416
Energy: 0.5739118996274094
Energy: 0.5326441098007614
Energy: 0.5815363490374986
Energy: 0.5326441097949357
Energy: 0.5321254255275548
Energy: 0.5471771205547146
Energy: 0.6612546443377553
Energy: 0.5471771205495363
Energy: 0.5659063037542359
Energy: 0.5656551475971274
Energy: 0.7468965522714539
Energy: 0.5656551476003638
Energy: 0.5677328341964774
Energy: 0.5808715345415448
Energy: 0.637772217836496
Energy: 0.5808715345428394
Energy: 0.7089945354084604
Energy: 0.5665577280360927
Energy: 0.6514031196607606
Energy: 0.5665577280386818
Energy: 0.6929858734376692
Energy: 0.5666618318701929
Energy: 0.5674575875531751
Energy: 0.5666618318727821
Energy: 0.6574880059006112
Energy: 0.5330471981880405
Energy: 0.5349369661527493
Energy: 0.5330471981886877
Energy: 0.6389235101168033
Energy: 0.5331873978942258
Energy: 0.532093133154582
Energy: 0.533187397894873
Energy: 0.6809985891869623
Energy: 0.6233653745371228
Energy: 0.6521401255191285
Energy: 0.6233653745403592
Energy: 0.6700289086237815
Energy: 0.6471675441656833
Energy: 0.7681547908306614
Energy: 0.6471675441624469
Energy: 0.6336652665937335
Energy: 0.6238568170111535
Energy: 0.6516277525430307
Energy: 0.62385681701439
Energy: 0.583019456187565
Energy: 0.5584964637448147
Energy: 0.6029100993913696
Energy: 0.5584964637448147
Energy: 0.6369008845529716
Energy: 0.5582627799418582
Energy: 0.5288279676669304
Energy: 0.5582627799399162
Energy: 0.7465808960945408
Energy: 0.6435560683655843
Energy: 0.6442708712023834
Energy: 0.6435560683636424

minimum gb energy = 0.527489480867053 eV
minimum distance =  2.57341713675374 Angstroms
sigma value = 29


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

Energy: 0.46319207418883135
Energy: 0.6126368783939565
Energy: 0.537769403886981
Energy: 0.6126368783935306
Energy: 0.5998751984131756
Energy: 0.5347108085643734
Energy: 0.5613210893815398
Energy: 0.5347108085650497
Energy: 0.6007104962670922
Energy: 0.5805918858983466
Energy: 0.5318197838141077
Energy: 0.5805918859005513
Energy: 0.5385305385911197
Energy: 0.4744949378878596
Energy: 0.5991539472603016
Energy: 0.47449493789139197
Energy: 0.5351420517799671
Energy: 0.5344941274440407
Energy: 0.4637324821879784
Energy: 0.5344941274416107
Energy: 0.5988773722380836
Energy: 0.5795325025277248
Energy: 0.4639762713596436
Energy: 0.5795325025274992
Energy: 0.46973853733158866
Energy: 0.5801217235318591
Energy: 0.599689867252448
Energy: 0.5801217235316336
Energy: 0.5612315146669639
Energy: 0.4753234003261598
Energy: 0.5932897395957915
Energy: 0.4753234003274875
Energy: 0.538282319614111
Energy: 0.4760867848919162
Energy: 0.5328160246315865
Energy: 0.4760867848916907

minimum gb energy = 0.46319207418883135 eV
minimum distance =  2.60799210446234 Angstroms
sigma value = 5


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

Energy: 0.6784839703440678
Energy: 0.554277641379761
Energy: 0.6351167462396567
Energy: 0.554277641375481
Energy: 0.647474621481935
Energy: 0.5037671695967004
Energy: 0.6413921785274064
Energy: 0.5037671695967004
Energy: 0.6012326879270564
Energy: 0.5439209688285033
Energy: 0.5887567309540741
Energy: 0.5439209688266688
Energy: 0.5122679456789246
Energy: 0.5027443803089056
Energy: 0.6554042130620311
Energy: 0.5027443803089056
Energy: 0.6010328796589058
Energy: 0.5526753602931282
Energy: 0.7022859971758265
Energy: 0.5526753602949627
Energy: 0.5684285049293196
Energy: 0.520217913683606
Energy: 0.7019765728717083
Energy: 0.5202179136842174
Energy: 0.5033463670195346
Energy: 0.5032448511698462
Energy: 0.6547755527928265
Energy: 0.5032448511692348
Energy: 0.520003824765781
Energy: 0.5040943149953637
Energy: 0.6634223800777556
Energy: 0.5040943149953637
Energy: 0.6266537228900634
Energy: 0.5823590367584403
Energy: 0.6756609954732291
Energy: 0.5823590367578287
Energy: 0.5935008090150511
Energy: 0.49501442371962767
Energy: 0.5102751098632052
Energy: 0.49501442372023907
Energy: 0.6242667879841534
Energy: 0.49520774129246065
Energy: 0.5219357718710927
Energy: 0.49520774129246065
Energy: 0.6587306212382004
Energy: 0.5097270627626632
Energy: 0.5081338669600756
Energy: 0.5097270627620517
Energy: 0.6606207114893085
Energy: 0.49784926339071617
Energy: 0.6659759042509005
Energy: 0.49784926334427404
Energy: 0.6116295760476329
Energy: 0.5811340921678697
Energy: 0.5865090404319511
Energy: 0.5811340921678697
Energy: 0.5045572724052351
Energy: 0.5164388542571537
Energy: 0.588584947353832
Energy: 0.5164388542577375
Energy: 0.5643392235844744
Energy: 0.5041426332433295
Energy: 0.6469268117813941
Energy: 0.5041426332433295
Energy: 0.556223280785614
Energy: 0.5515801677826959
Energy: 0.6126919348653916
Energy: 0.5515801677771929
Energy: 0.6428987086303789
Energy: 0.5037636023610409
Energy: 0.6130109472056772
Energy: 0.5037636023610409
Energy: 0.587373933197206
Energy: 0.5454090580344212
Energy: 0.603324526677789
Energy: 0.5454090580350327
Energy: 0.654409367375815
Energy: 0.5029684467178608
Energy: 0.5105119348769548
Energy: 0.5029684467209179
Energy: 0.7009623971720774
Energy: 0.5200094391286993
Energy: 0.6376646212823274
Energy: 0.5200094391305337
Energy: 0.6391047529163068
Energy: 0.5533672485206473
Energy: 0.5674820743776382
Energy: 0.5533672485212588
Energy: 0.6407389208112111
Energy: 0.5031948392763663
Energy: 0.5046814674464473
Energy: 0.5031948392763663
Energy: 0.6610240363216958
Energy: 0.5037618620712853
Energy: 0.5226062177754931
Energy: 0.5037618620712853
Energy: 0.6763071016192481
Energy: 0.5824678021967176
Energy: 0.6102173298705671
Energy: 0.582467802197329
Energy: 0.5125403067099051
Energy: 0.495791393558716
Energy: 0.593405652930425
Energy: 0.49579139356419116
Energy: 0.522857285325664
Energy: 0.49528244478380423
Energy: 0.6264098428990728
Energy: 0.49528244478502714
Energy: 0.5210037042650351
Energy: 0.5087462590505317
Energy: 0.6149910593067528
Energy: 0.5087462590511432
Energy: 0.6502706578801505
Energy: 0.49540544200462777
Energy: 0.6621479802381582
Energy: 0.4954054420058507
Energy: 0.5879647836449445
Energy: 0.5825522783664658
Energy: 0.6118140580210814
Energy: 0.5825522783664658
Energy: 0.5868429890632306
Energy: 0.5039282860281997
Energy: 0.5076971646358898
Energy: 0.5039282860281997
Energy: 0.6514188930459517
Energy: 0.5037920157834441
Energy: 0.5215718964857293
Energy: 0.5037920157840556
Energy: 0.6128954057834345
Energy: 0.5462416079482537
Energy: 0.5559360009741119
Energy: 0.5462416079482537

minimum gb energy = 0.49501442371962767 eV
minimum distance =  2.59230155975041 Angstroms
sigma value = 1


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

Energy: 0.8082062194503759
Energy: 0.5328332221601043
Energy: 0.6344670995257563
Energy: 0.5328332221668677
Energy: 0.6700360044116924
Energy: 0.4900408207516787
Energy: 0.6029289460595588
Energy: 0.4900408207533696
Energy: 0.6074543617887402
Energy: 0.5448059554584588
Energy: 0.6001884784319963
Energy: 0.5448059554601498
Energy: 0.5487468191408625
Energy: 0.59139612566964
Energy: 0.6469822095569397
Energy: 0.59139612566964
Energy: 0.606852124874663
Energy: 0.5035277996972474
Energy: 0.6424245151362016
Energy: 0.503527799710755
Energy: 0.5070406111848459
Energy: 0.5040506778825352
Energy: 0.6436479630477967
Energy: 0.5040506778833806
Energy: 0.49405600898982643
Energy: 0.4942544237179716
Energy: 0.7105010136173809
Energy: 0.49425442371881706
Energy: 0.504229806236921
Energy: 0.4948201919088763
Energy: 0.6723526501362164
Energy: 0.49482019191056714
Energy: 0.6169827254555359
Energy: 0.527243228501854
Energy: 0.6831740259348807
Energy: 0.527243228501854
Energy: 0.6638746104719527
Energy: 0.47029829938289375
Energy: 0.5231695560597609
Energy: 0.47029829938289375
Energy: 0.6103845154059703
Energy: 0.4774859060363049
Energy: 0.5246805425061661
Energy: 0.4774859060363049
Energy: 0.6815243390539212
Energy: 0.46964821850815713
Energy: 0.5138009450246177
Energy: 0.4696482185073117
Energy: 0.681232883869366
Energy: 0.4690206982414584
Energy: 0.6062644267517486
Energy: 0.4690206982414584
Energy: 0.6238741189197814
Energy: 0.4688599912158101
Energy: 0.6325662421357566
Energy: 0.468859991217501
Energy: 0.5497801744790972
Energy: 0.575096719656575
Energy: 0.6297074572508337
Energy: 0.575096719656575
Energy: 0.5487344907152848
Energy: 0.4944836576332143
Energy: 0.6315124005288888
Energy: 0.4944836576332143
Energy: 0.5492945375485602
Energy: 0.5676445204855909
Energy: 0.6429775593254804
Energy: 0.5676445204855909
Energy: 0.4943540827128652
Energy: 0.4946361223309751
Energy: 0.6460132107321955
Energy: 0.49463612233012966
Energy: 0.5032768555818894
Energy: 0.49438419393469996
Energy: 0.6761277489568233
Energy: 0.4943841939338546
Energy: 0.49512991948104224
Energy: 0.5836789796106215
Energy: 0.6720459218549937
Energy: 0.5836789796123124
Energy: 0.6544887334281807
Energy: 0.49045071805751295
Energy: 0.6885915674910358
Energy: 0.4904507180583584
Energy: 0.6448020422898557
Energy: 0.49015487929951057
Energy: 0.4910921395006432
Energy: 0.49015487929951057
Energy: 0.6711711284943948
Energy: 0.49003301959119133
Energy: 0.49137166560206286
Energy: 0.4900330195928822
Energy: 0.67235775158319
Energy: 0.518855618102461
Energy: 0.5192314596229809
Energy: 0.5188556181016345

minimum gb energy = 0.4688599912158101 eV
minimum distance =  2.56805300123224 Angstroms
sigma value = 17


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

Energy: 0.7796120877333664
Energy: 0.5154915938338073
Energy: 0.635684380217885
Energy: 0.5154915988620759
Energy: 0.6729465351142827
Energy: 0.48301824108605307
Energy: 0.5606366364403091
Energy: 0.4830182410844854
Energy: 0.6195699280854509
Energy: 0.5838630901327685
Energy: 0.556071559526245
Energy: 0.583863090132246
Energy: 0.6195402647935274
Energy: 0.5112796119927694
Energy: 0.6220977784797658
Energy: 0.5112796119917242
Energy: 0.6592259409653135
Energy: 0.4890329098867345
Energy: 0.6772826270652343
Energy: 0.48903290988725706
Energy: 0.47602350474168564
Energy: 0.4790057856634578
Energy: 0.7012556435556477
Energy: 0.47900578566398033
Energy: 0.47715487363925274
Energy: 0.4754080140041916
Energy: 0.6437369849474137
Energy: 0.4754080140047141
Energy: 0.48208436663718207
Energy: 0.4757703985283624
Energy: 0.7204145284562756
Energy: 0.4757703985283624
Energy: 0.6769554196084666
Energy: 0.4761357649606179
Energy: 0.6795130713180445
Energy: 0.47613576496166293
Energy: 0.5575908158341829
Energy: 0.512934063565493
Energy: 0.5625047686913092
Energy: 0.5129340635675832
Energy: 0.671820131138021
Energy: 0.4824356397578258
Energy: 0.48753454814209457
Energy: 0.4824356397588708
Energy: 0.6998561837367286
Energy: 0.4833513992965122
Energy: 0.5514305446135772
Energy: 0.4833513992959897
Energy: 0.7045448084235518
Energy: 0.5163089605488844
Energy: 0.5180953129238818
Energy: 0.5163089605457492
Energy: 0.7004411300804607
Energy: 0.4821959013037326
Energy: 0.4844633812799821
Energy: 0.48219590130425505
Energy: 0.6171912975351145
Energy: 0.483070703933769
Energy: 0.48775010504304533
Energy: 0.4830707039332464
Energy: 0.71829162685999
Energy: 0.4828011016148403
Energy: 0.6848311660644757
Energy: 0.48280110161588535
Energy: 0.4841996779859022
Energy: 0.5012774113613725
Energy: 0.6815577083457259
Energy: 0.5012774113613725
Energy: 0.4977380885568316
Energy: 0.4825606080744954
Energy: 0.705155810223969
Energy: 0.482560608076063
Energy: 0.5009983549935241
Energy: 0.48355923767641157
Energy: 0.6787779451711338
Energy: 0.48355923767745657
Energy: 0.6040615965645597
Energy: 0.5723464316141076
Energy: 0.7236566580114584
Energy: 0.57234643161254
Energy: 0.5590499670426651
Energy: 0.48282712860050364
Energy: 0.6717048155837447
Energy: 0.4828271286015488
Energy: 0.5573393020158883
Energy: 0.5853795419766378
Energy: 0.6175479972578748
Energy: 0.5853795419766378
Energy: 0.6450150688481403
Energy: 0.5100248120872507
Energy: 0.6172888298135498
Energy: 0.5100248120862055
Energy: 0.6791416700170714
Energy: 0.48922574062290675
Energy: 0.6627163331521672
Energy: 0.48922574062290675
Energy: 0.6989709525938341
Energy: 0.47635442878723444
Energy: 0.4900513148679764
Energy: 0.47635442878827944
Energy: 0.6432583317722013
Energy: 0.4756157286992741
Energy: 0.47848432657042433
Energy: 0.47561572870084173
Energy: 0.7243205800742362
Energy: 0.4761039327098594
Energy: 0.4836236205653242
Energy: 0.4761039327093368
Energy: 0.6768853360627319
Energy: 0.4785201103770413
Energy: 0.6761864051929105
Energy: 0.4785201103822667
Energy: 0.561661367397289
Energy: 0.5854341496723433
Energy: 0.5556860417070956
Energy: 0.5854341496718208
Energy: 0.48862206039714107
Energy: 0.4820724094938228
Energy: 0.6738876837260053
Energy: 0.48207240949852564
Energy: 0.5725513637945476
Energy: 0.4984355083109158
Energy: 0.7013705360058382
Energy: 0.4984355083109158
Energy: 0.5161842371496113
Energy: 0.49782881355597636
Energy: 0.7019591218221907
Energy: 0.49782881355597636
Energy: 0.48255275136426895
Energy: 0.4820545254081539
Energy: 0.6981858663510025
Energy: 0.48205452540867644
Energy: 0.4828778829673542
Energy: 0.48307915099095833
Energy: 0.6184057362195042
Energy: 0.4830791509930485
Energy: 0.6856907781898725
Energy: 0.4823235821121871
Energy: 0.7167695466063756
Energy: 0.4823235821106195
Energy: 0.7006806368712177
Energy: 0.48323940767130535
Energy: 0.48432332534313105
Energy: 0.4832394076718279
Energy: 0.7041614991672309
Energy: 0.4824984220748946
Energy: 0.4834000282703789
Energy: 0.4824984220748946
Energy: 0.6796445877757047
Energy: 0.4838634205134098
Energy: 0.5336932306796249
Energy: 0.4838634205128873

minimum gb energy = 0.4754080140041916 eV
minimum distance =  2.5822471931723 Angstroms
sigma value = 89


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

Energy: 0.8212491109315617
Energy: 0.4370158805308606
Energy: 0.4378123596424383
Energy: 0.4370158804269817
Energy: 0.5867702740809433
Energy: 0.48354341728125005
Energy: 0.5816525550048641
Energy: 0.48354341728125005
Energy: 0.43113582433718944
Energy: 0.48423870151919907
Energy: 0.5866655034651292
Energy: 0.48423870151919907
Energy: 0.43378440894447595
Energy: 0.48418012677871586
Energy: 0.5875944252314098
Energy: 0.48418012677871586
Energy: 0.45479040264600606
Energy: 0.43864381277458464
Energy: 0.5836840214993207
Energy: 0.43864381277458464
Energy: 0.4361989216709309
Energy: 0.438394529758181
Energy: 0.5835865910679481
Energy: 0.438394529758181
Energy: 0.43651386966667616
Energy: 0.4355828798483737
Energy: 0.7289163665878944
Energy: 0.4355828798483737
Energy: 0.43659394351206954
Energy: 0.43730704684987093
Energy: 0.7216852908675749
Energy: 0.43730704684850374
Energy: 0.5803797895594889
Energy: 0.4366991296365715
Energy: 0.723069677202524
Energy: 0.43669912963520424
Energy: 0.5876990321236732
Energy: 0.4840635356273354
Energy: 0.5874047485967292
Energy: 0.4840635356273354
Energy: 0.5795165848520469
Energy: 0.48352545518686063
Energy: 0.43083316382554615
Energy: 0.48352545518686063
Energy: 0.5837525337759119
Energy: 0.4373994678286609
Energy: 0.5874609919494221
Energy: 0.4373994678286609
Energy: 0.5843669681306524
Energy: 0.4372993240706909
Energy: 0.4369065796122485
Energy: 0.4372993240706909
Energy: 0.7279493005678913
Energy: 0.43532092555595847
Energy: 0.43563488489233826
Energy: 0.43532092555595847
Energy: 0.7219282077318653
Energy: 0.4365498818021627
Energy: 0.4389652270198433
Energy: 0.4365498818021627

minimum gb energy = 0.43083316382554615 eV
minimum distance =  2.60228864348348 Angstroms
sigma value = 13


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

Energy: 0.7342718790188795
Energy: 0.43512963723667075
Energy: 0.4401295162306077
Energy: 0.43512962415896633
Energy: 0.6617402566723263
Energy: 0.43124361986548776
Energy: 0.5192651306016918
Energy: 0.4312436198637685
Energy: 0.6893432100616573
Energy: 0.430470631155019
Energy: 0.5064660734009289
Energy: 0.4304706311567382
Energy: 0.5680155339691727
Energy: 0.4306730240323071
Energy: 0.6009299205364841
Energy: 0.430673024031161
Energy: 0.6834801451415614
Energy: 0.43041495949362474
Energy: 0.6320102065303177
Energy: 0.4304149594959169
Energy: 0.5092615324897398
Energy: 0.4309141461473678
Energy: 0.6310421461143089
Energy: 0.4309141461485139
Energy: 0.5069883956188619
Energy: 0.43073043549981865
Energy: 0.7600725873437191
Energy: 0.4307304354935151
Energy: 0.5189640664916219
Energy: 0.44658265119771323
Energy: 0.7326322483529897
Energy: 0.44658265120057855
Energy: 0.44705987568060934
Energy: 0.4318037578774791
Energy: 0.7314554662038987
Energy: 0.4318037578791983
Energy: 0.43315135069599675
Energy: 0.4309887929141282
Energy: 0.757970320229406
Energy: 0.43098879291298203
Energy: 0.4306268162240968
Energy: 0.4323168697386638
Energy: 0.6968439702218231
Energy: 0.4323168697380907
Energy: 0.6339466464471869
Energy: 0.5413565272450008
Energy: 0.7578902363074778
Energy: 0.5413565272455739
Energy: 0.6329468284924081
Energy: 0.4556600125748825
Energy: 0.6346127834847552
Energy: 0.45566001257373634
Energy: 0.6664200650049882
Energy: 0.4576467635785541
Energy: 0.5773982719060186
Energy: 0.45764676357282347
Energy: 0.7347421662508684
Energy: 0.43187408891470286
Energy: 0.6396409688713411
Energy: 0.4318740889129837
Energy: 0.7339938348147392
Energy: 0.4315872700752941
Energy: 0.4311101882900889
Energy: 0.43158727007472103
Energy: 0.7611945123023985
Energy: 0.43089703631410403
Energy: 0.4340809480376979
Energy: 0.43089703631639625
Energy: 0.691747302737227
Energy: 0.44636245870254254
Energy: 0.44552375544127015
Energy: 0.4463624586435435
Energy: 0.7717845614635342
Energy: 0.431684777335096
Energy: 0.5227467453891356
Energy: 0.43168477733108457
Energy: 0.732350593022642
Energy: 0.43051845725512533
Energy: 0.5015799772036771
Energy: 0.4305184572568445
Energy: 0.5705106383373286
Energy: 0.43125287872960855
Energy: 0.5191433836113077
Energy: 0.4312528787313277
Energy: 0.7325265154621466
Energy: 0.5400970453770813
Energy: 0.6315032322648241
Energy: 0.5400970453747891
Energy: 0.510419306723719
Energy: 0.4312921940622885
Energy: 0.632712195675166
Energy: 0.4312921940611424
Energy: 0.4335424789529183
Energy: 0.4303231487395117
Energy: 0.7356214875081413
Energy: 0.4303231487481076
Energy: 0.5155812308430847
Energy: 0.43153359959710985
Energy: 0.7325787960137266
Energy: 0.43153359959653675
Energy: 0.45128049950400445
Energy: 0.43165141774117516
Energy: 0.7330398903037914
Energy: 0.4316514177451866
Energy: 0.43074472882537007
Energy: 0.43061237870011687
Energy: 0.7564455452753083
Energy: 0.4306123787006899
Energy: 0.4309159056768783
Energy: 0.43186309819498303
Energy: 0.6929628660504381
Energy: 0.43186309819326385
Energy: 0.6345244980085792
Energy: 0.4312611908993264
Energy: 0.7718533722506329
Energy: 0.43126119090161863
Energy: 0.5005088828164489
Energy: 0.45817748994430696
Energy: 0.6376004340440137
Energy: 0.45817748994430696
Energy: 0.6392924239369548
Energy: 0.46023586542810546
Energy: 0.5696124236204831
Energy: 0.46023586542581324
Energy: 0.7337480028358243
Energy: 0.43155380312228586
Energy: 0.6366135437481196
Energy: 0.4315538031211398
Energy: 0.7343793533719287
Energy: 0.4317447841813588
Energy: 0.43248801609347526
Energy: 0.4317447841813588
Energy: 0.7573584532441917
Energy: 0.43039084088086305
Energy: 0.43125789013791177
Energy: 0.43039084087971696
Energy: 0.7776305169406978
Energy: 0.44632013623160466
Energy: 0.45038350680363237
Energy: 0.4463201362344699

minimum gb energy = 0.4303231487395117 eV
minimum distance =  2.58451086360861 Angstroms
sigma value = 37


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

Energy: 0.7114351146104839
Energy: 0.4099334816428386
Energy: 0.40996837688669574
Energy: 0.4099334816359372
Energy: 0.7917480879289602
Energy: 0.41029827405936303
Energy: 0.5306054748526461
Energy: 0.41029827405837715
Energy: 0.6676197265225922
Energy: 0.54284765403443
Energy: 0.529682304556182
Energy: 0.542847654033444
Energy: 0.6671886092888488
Energy: 0.5436302505447674
Energy: 0.6157101975244917
Energy: 0.5436302505467393
Energy: 0.6752452321014367
Energy: 0.4037464114281306
Energy: 0.5711822315751559
Energy: 0.4037464114281306
Energy: 0.51465545257473
Energy: 0.5026257321258077
Energy: 0.7108467633939418
Energy: 0.5026257321248219
Energy: 0.45375083628059987
Energy: 0.5022127706958508
Energy: 0.7387294360626664
Energy: 0.5022127706958508
Energy: 0.5129382922767467
Energy: 0.4042188968793015
Energy: 0.737842151155323
Energy: 0.4042188968793015
Energy: 0.45158487287155225
Energy: 0.4039924232308436
Energy: 0.7388427009130815
Energy: 0.4039924232308436
Energy: 0.45311266165757486
Energy: 0.3932842323931888
Energy: 0.7708853343019794
Energy: 0.3932842323931888
Energy: 0.49987284796100423
Energy: 0.5005489551748833
Energy: 0.6364926011637269
Energy: 0.5005489551738975
Energy: 0.5691342926578733
Energy: 0.3931465242113903
Energy: 0.7709677396307665
Energy: 0.39314652421040436
Energy: 0.582300390535347
Energy: 0.537055516660906
Energy: 0.6673983830706023
Energy: 0.5370555166628778
Energy: 0.646712551721478
Energy: 0.5372622727032202
Energy: 0.6674608131840486
Energy: 0.537262272704206
Energy: 0.5711822315741699
Energy: 0.5174054827679486
Energy: 0.6653016340906552
Energy: 0.5174054827679486
Energy: 0.6491520700444933
Energy: 0.5172890605462113
Energy: 0.52171951251734
Energy: 0.5172890605481831
Energy: 0.7009935174441714
Energy: 0.41028856851434103
Energy: 0.4536756458105139
Energy: 0.4102885685222285
Energy: 0.7378421511563089
Energy: 0.4113918267086403
Energy: 0.5030130086381116
Energy: 0.4113918267106122
Energy: 0.7388427009130815
Energy: 0.4106089761142247
Energy: 0.41023455090356004
Energy: 0.41060897611323877
Energy: 0.7917580570177951
Energy: 0.410631036213543
Energy: 0.4102674459692838
Energy: 0.410631036213543

minimum gb energy = 0.39314652421040436 eV
minimum distance =  2.58924555501879 Angstroms
sigma value = 25


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

Energy: 0.8176348995922547
Energy: 0.37039747068556117
Energy: 0.3703019182950891
Energy: 0.37039747088023595
Energy: 0.7456555136136064
Energy: 0.3709686540106191
Energy: 0.47075345457276774
Energy: 0.3709686540106191
Energy: 0.705598941681904
Energy: 0.48167532913645045
Energy: 0.46069481194422296
Energy: 0.48167532913722033
Energy: 0.577710628711956
Energy: 0.48188738779915546
Energy: 0.6148906615706604
Energy: 0.48188738779992535
Energy: 0.7157043752857205
Energy: 0.49185475372094006
Energy: 0.6181089771027838
Energy: 0.49185475372094006
Energy: 0.5866329119417368
Energy: 0.5842391110976606
Energy: 0.6166390311137983
Energy: 0.5842391110984305
Energy: 0.5797196898239346
Energy: 0.4531339421004788
Energy: 0.7436496703918984
Energy: 0.4531339421004788
Energy: 0.5958024097238965
Energy: 0.4438938896430427
Energy: 0.644406358629288
Energy: 0.44389388964535237
Energy: 0.45447788660275446
Energy: 0.4440925851630599
Energy: 0.7433660653645586
Energy: 0.44409258516536954
Energy: 0.45468103460725334
Energy: 0.44380464851419865
Energy: 0.7424478752659626
Energy: 0.4438046485157384
Energy: 0.40975368925855254
Energy: 0.3689340352232845
Energy: 0.70305540175234
Energy: 0.3689340352240544
Energy: 0.4098825713221122
Energy: 0.36818652646687994
Energy: 0.7418441273940531
Energy: 0.3681865264676498
Energy: 0.4149870523735295
Energy: 0.36301478314174085
Energy: 0.8020278764966379
Energy: 0.3630147831402011
Energy: 0.4995900107671717
Energy: 0.3642673010642501
Energy: 0.6714307395578839
Energy: 0.36426730106502003
Energy: 0.49525869450990995
Energy: 0.3625829884703097
Energy: 0.7990310079958123
Energy: 0.3625829884710795
Energy: 0.5222110378666376
Energy: 0.4783886002537064
Energy: 0.7080310261968247
Energy: 0.4783886002544762
Energy: 0.6068374699668397
Energy: 0.3688958092664692
Energy: 0.7058899925588177
Energy: 0.3688958092703187
Energy: 0.4940553334266443
Energy: 0.5532579045599267
Energy: 0.7139807960845947
Energy: 0.5532579045614665
Energy: 0.6085841439643858
Energy: 0.5544712581838787
Energy: 0.5798340807533022
Energy: 0.5544712581846485
Energy: 0.7454529201002812
Energy: 0.46594369872666574
Energy: 0.5873489406222487
Energy: 0.46594369872435615
Energy: 0.6446341073660359
Energy: 0.47939869904043314
Energy: 0.46106036546526075
Energy: 0.47939869904197296
Energy: 0.7454981394163126
Energy: 0.48018536781597876
Energy: 0.40832086725047334
Energy: 0.4801853678136691
Energy: 0.7693573508396883
Energy: 0.3712530399451377
Energy: 0.4612236521522433
Energy: 0.3712530399459075
Energy: 0.6448993970662449
Energy: 0.3724871866842439
Energy: 0.3707353620689251
Energy: 0.372487186683474
Energy: 0.8094511202438043
Energy: 0.3705340074014766
Energy: 0.37232071204278294
Energy: 0.37053400740301634
Energy: 0.7068790388951307
Energy: 0.37147757286549815
Energy: 0.37474419304168266
Energy: 0.3714775728670379

minimum gb energy = 0.3625829884703097 eV
minimum distance =  2.58679188944853 Angstroms
sigma value = 41


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

Energy: 0.831831995965646
Energy: 0.33744588568838696
Energy: 0.3372753777059934
Energy: 0.33744623681840813
Energy: 0.7613311292027531
Energy: 0.33828216094737285
Energy: 0.41304972313785826
Energy: 0.33828216094737285
Energy: 0.7044578988968453
Energy: 0.3393068481024072
Energy: 0.4125535506266534
Energy: 0.3393068481024072
Energy: 0.6038546361249858
Energy: 0.3383591787227829
Energy: 0.542380871455229
Energy: 0.3383591787227829
Energy: 0.7126813572721292
Energy: 0.44779672392741143
Energy: 0.5519463680665012
Energy: 0.44779672392993614
Energy: 0.598316229900078
Energy: 0.5307314078608478
Energy: 0.5511466422835127
Energy: 0.5307314078614791
Energy: 0.6013815857787449
Energy: 0.5383793926206056
Energy: 0.6582604192473795
Energy: 0.5383793926199744
Energy: 0.6118640334150323
Energy: 0.44735911180081794
Energy: 0.5407503107791133
Energy: 0.4473591118001868
Energy: 0.4799809250705562
Energy: 0.5342657462699449
Energy: 0.6527427902885269
Energy: 0.5342657462712074
Energy: 0.4919500894602163
Energy: 0.4479281824322334
Energy: 0.7613099092353949
Energy: 0.44792818243160226
Energy: 0.40926193151902085
Energy: 0.33818440720945403
Energy: 0.651886182539378
Energy: 0.3381844071974617
Energy: 0.40812000914401625
Energy: 0.33790522620411173
Energy: 0.7611976247273242
Energy: 0.33790522620221825
Energy: 0.4255924836137679
Energy: 0.33837225627401707
Energy: 0.7613791551500576
Energy: 0.3383722562752794
Energy: 0.33811806355427154
Energy: 0.3392755404032823
Energy: 0.6600428759982454
Energy: 0.3392755404032823
Energy: 0.3394048663666776
Energy: 0.3383012990354674
Energy: 0.8210829721917164
Energy: 0.3383012990348362
Energy: 0.3380879022953658
Energy: 0.3385025934457631
Energy: 0.7062077261729323
Energy: 0.33850259344513195
Energy: 0.40916448328915767
Energy: 0.3388163910786178
Energy: 0.7101927382363673
Energy: 0.338816391079249
Energy: 0.407390123810193
Energy: 0.33715007563349964
Energy: 0.7647819530825759
Energy: 0.3371500756316061
Energy: 0.42149371695132465
Energy: 0.33857760457365493
Energy: 0.6002445986562491
Energy: 0.33857760457365493
Energy: 0.5563851085702145
Energy: 0.3393140747987407
Energy: 0.5982474477329621
Energy: 0.3393140747981096
Energy: 0.5438275216170823
Energy: 0.4479211360332664
Energy: 0.6574075594876431
Energy: 0.44792113603389755
Energy: 0.5553308815020951
Energy: 0.44711572170210834
Energy: 0.6027066180248652
Energy: 0.44711572170084596
Energy: 0.6528047590035485
Energy: 0.5460829467864964
Energy: 0.59872218740371
Energy: 0.5460829467852341
Energy: 0.5404046818271334
Energy: 0.5389743683595564
Energy: 0.5555731317370365
Energy: 0.5389743683601875
Energy: 0.6589163253279089
Energy: 0.449244162269729
Energy: 0.4769213017399598
Energy: 0.4492441622665731
Energy: 0.6529370732603714
Energy: 0.33888468148278594
Energy: 0.541012049821361
Energy: 0.3388846814657729
Energy: 0.6562434681988141
Energy: 0.33849189500010357
Energy: 0.4217966347743226
Energy: 0.33849189499884125
Energy: 0.766822306823371
Energy: 0.33751913195071825
Energy: 0.4073999184246898
Energy: 0.33751913195008715
Energy: 0.6549454278449184
Energy: 0.33887015882344473
Energy: 0.41289461640194636
Energy: 0.33887015882407595
Energy: 0.6535614715791658
Energy: 0.3382116690315842
Energy: 0.3384154536065495
Energy: 0.3382116690334777
Energy: 0.7632229840931524
Energy: 0.3381875700287471
Energy: 0.338907496172007
Energy: 0.33818757002937827
Energy: 0.7035587165596418
Energy: 0.33889576327517484
Energy: 0.3389376028180478
Energy: 0.33889576327517484

minimum gb energy = 0.3371500756316061 eV
minimum distance =  2.59573886327405 Angstroms
sigma value = 15


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

Energy: 0.7219079900475226
Energy: 0.31757526071168374
Energy: 0.3175762615326219
Energy: 0.31774309946554913
Energy: 0.7778265929793207
Energy: 0.3165668179957511
Energy: 0.3797560468140416
Energy: 0.31656681799468167
Energy: 0.728967998155844
Energy: 0.31959770508221547
Energy: 0.3796629233217428
Energy: 0.3195977050843543
Energy: 0.63936854393455
Energy: 0.31959824183388713
Energy: 0.4916219579096878
Energy: 0.31959824183335245
Energy: 0.737411038923313
Energy: 0.41409405958479256
Energy: 0.49986469569605946
Energy: 0.41409405958853546
Energy: 0.6321746018955592
Energy: 0.491819974263707
Energy: 0.5014107367806783
Energy: 0.4918199742610334
Energy: 0.5422840000788121
Energy: 0.5000101878281704
Energy: 0.59503412994194
Energy: 0.5000101878265664
Energy: 0.6413452642716799
Energy: 0.508713968980854
Energy: 0.4889442591171541
Energy: 0.5087139689819233
Energy: 0.5418107314050109
Energy: 0.5034799301241188
Energy: 0.5886586978882353
Energy: 0.5034799301241188
Energy: 0.5415443113016281
Energy: 0.5062121433281039
Energy: 0.681945566663745
Energy: 0.5062121433291733
Energy: 0.4898344767163555
Energy: 0.4149981525229682
Energy: 0.5960292614744003
Energy: 0.4149981525224335
Energy: 0.4331252958051062
Energy: 0.4938858545889152
Energy: 0.6822913498844204
Energy: 0.49388585458731105
Energy: 0.5029773668479272
Energy: 0.41437023063009987
Energy: 0.6806643094892132
Energy: 0.41437023063170386
Energy: 0.38112597437391693
Energy: 0.31947420046674985
Energy: 0.591309444212789
Energy: 0.31947420046835395
Energy: 0.37558220938724984
Energy: 0.3181194901717894
Energy: 0.7786737768109555
Energy: 0.3181194901616788
Energy: 0.3804462097738966
Energy: 0.31719033096790683
Energy: 0.6827645100169083
Energy: 0.31719033096790683
Energy: 0.31667379391589284
Energy: 0.317216310030542
Energy: 0.6859623723966343
Energy: 0.3172163100316114
Energy: 0.3164028856354674
Energy: 0.31626907253504705
Energy: 0.8282335201498107
Energy: 0.31626907253611647
Energy: 0.3167448304594857
Energy: 0.31721921693666544
Energy: 0.6349048619538896
Energy: 0.31721921693666544
Energy: 0.38526863042246373
Energy: 0.3173952246094639
Energy: 0.7327176688113475
Energy: 0.31739522460892916
Energy: 0.37378277981076785
Energy: 0.31778917064250334
Energy: 0.7809605199465404
Energy: 0.31778917064196865
Energy: 0.37432370990368713
Energy: 0.31977991307333214
Energy: 0.6372870456409975
Energy: 0.31977991307333214
Energy: 0.5033198838571027
Energy: 0.41401165497119785
Energy: 0.6322084317025537
Energy: 0.4140116549701285
Energy: 0.49067051413288615
Energy: 0.41621050831443374
Energy: 0.6848175907447661
Energy: 0.41621050831336437
Energy: 0.4973543629999564
Energy: 0.41458401017470475
Energy: 0.5459153967243274
Energy: 0.4145840101736354
Energy: 0.5874928046989373
Energy: 0.5057033567609731
Energy: 0.6828207941808453
Energy: 0.5057033567609731
Energy: 0.48978300234596156
Energy: 0.5017157055804315
Energy: 0.5904712927974878
Energy: 0.5017157055820355
Energy: 0.6413596949240076
Energy: 0.5078928286385254
Energy: 0.5458939226162863
Energy: 0.5078928286379908
Energy: 0.5889992395519146
Energy: 0.49887517128087855
Energy: 0.593667219276774
Energy: 0.49887517128034387
Energy: 0.5876149609562316
Energy: 0.4972779902816974
Energy: 0.4936316707161529
Energy: 0.49727799028116276
Energy: 0.7375445886426746
Energy: 0.41517406513507776
Energy: 0.43313602633014037
Energy: 0.4151740651366818
Energy: 0.590735974971612
Energy: 0.3203486005676448
Energy: 0.4993758150756936
Energy: 0.320348600532355
Energy: 0.6805995566312444
Energy: 0.31841310029568837
Energy: 0.39154226591777835
Energy: 0.3184131002919455
Energy: 0.7370964774676334
Energy: 0.31671817375843614
Energy: 0.3906198459585374
Energy: 0.3167181737557626
Energy: 0.6808531191200389
Energy: 0.3176501274721264
Energy: 0.3772149149781724
Energy: 0.31765012747159166
Energy: 0.7771753568817404
Energy: 0.3170383525640897
Energy: 0.3214540571058212
Energy: 0.3170383525640897
Energy: 0.7282168918891161
Energy: 0.31694462296356335
Energy: 0.3218738006554051
Energy: 0.31694462296409803

minimum gb energy = 0.31626907253504705 eV
minimum distance =  2.58976420611266 Angstroms
sigma value = 85


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

Energy: 0.7984621868393581
Energy: 0.2872522585058296
Energy: 0.2872317272323369
Energy: 0.28725226658294395
Energy: 0.781317529272019
Energy: 0.28742962993129884
Energy: 0.3378786656431216
Energy: 0.2874296299308351
Energy: 0.670070524255453
Energy: 0.2879907527104262
Energy: 0.33770959503486336
Energy: 0.2879907527127448
Energy: 0.5846763107546896
Energy: 0.2884778596158535
Energy: 0.4400356577180135
Energy: 0.28847785961631717
Energy: 0.76433310051888
Energy: 0.37555271696011044
Energy: 0.4385270902246863
Energy: 0.3755527169605742
Energy: 0.584758897342469
Energy: 0.37610380134161203
Energy: 0.4438844355626557
Energy: 0.37610380133975696
Energy: 0.5849051377091647
Energy: 0.42332250895171886
Energy: 0.5264537339416391
Energy: 0.42332250895264634
Energy: 0.662911867500338
Energy: 0.45911216398404875
Energy: 0.4624732378902981
Energy: 0.45911216398543997
Energy: 0.5872409309352195
Energy: 0.458979335999379
Energy: 0.5279566750534751
Energy: 0.4589793359975241
Energy: 0.5864026827815149
Energy: 0.4648036055991513
Energy: 0.610457101489493
Energy: 0.46480360559961503
Energy: 0.527604896489927
Energy: 0.45756059522498144
Energy: 0.5444064969804453
Energy: 0.4575605952277639
Energy: 0.5066329144402195
Energy: 0.45700123258424263
Energy: 0.6110169071331863
Energy: 0.4570012325837789
Energy: 0.5286277766356373
Energy: 0.45879526118473934
Energy: 0.6277625997648298
Energy: 0.45879526118520303
Energy: 0.43397516537592556
Energy: 0.34063087210098386
Energy: 0.5439394208147814
Energy: 0.3406308721005201
Energy: 0.41326695335361413
Energy: 0.33965047702158657
Energy: 0.6969427140788892
Energy: 0.33965047702112283
Energy: 0.43899794807625886
Energy: 0.34059240551588715
Energy: 0.6276587906359324
Energy: 0.34059240551588715
Energy: 0.33848964996219566
Energy: 0.3332083703734621
Energy: 0.6267494751649384
Energy: 0.3332083703757809
Energy: 0.3387634725116071
Energy: 0.33346984490513826
Energy: 0.7820411752740981
Energy: 0.3334698449046746
Energy: 0.3381844383875701
Energy: 0.33481450536139046
Energy: 0.7130100833241206
Energy: 0.33481450536370916
Energy: 0.3115716216899788
Energy: 0.2879748479268676
Energy: 0.713024158155708
Energy: 0.28797484792640393
Energy: 0.3110350634129867
Energy: 0.2853924295077581
Energy: 0.8050666877636387
Energy: 0.2853924295054394
Energy: 0.312932265131046
Energy: 0.287155580966003
Energy: 0.6473717541033972
Energy: 0.2871555809655393
Energy: 0.36772597977441185
Energy: 0.28603253518980354
Energy: 0.7374012539886265
Energy: 0.2860325351884123
Energy: 0.3635900398049876
Energy: 0.287024199885882
Energy: 0.7371126226812325
Energy: 0.28702419988495453
Energy: 0.3626568723400726
Energy: 0.2873420474169372
Energy: 0.5848289756891695
Energy: 0.28734204741508224
Energy: 0.4396308046874592
Energy: 0.4169664240639314
Energy: 0.7582836598407051
Energy: 0.41696642406300394
Energy: 0.4379210088120951
Energy: 0.4172834804354334
Energy: 0.6714529000207361
Energy: 0.41728348043636093
Energy: 0.5224150649457607
Energy: 0.4282747188040791
Energy: 0.5847703607356339
Energy: 0.4282747188054703
Energy: 0.5233252634773565
Energy: 0.428207363447142
Energy: 0.6949232688499151
Energy: 0.42820736344899696
Energy: 0.5237850082329731
Energy: 0.45596839762797425
Energy: 0.5859836024434449
Energy: 0.45596839763168423
Energy: 0.6098897204156246
Energy: 0.4593825003544248
Energy: 0.506068604757927
Energy: 0.45938250035488853
Energy: 0.5440843168040264
Energy: 0.4631159450154263
Energy: 0.6083218698506551
Energy: 0.4631159450154263
Energy: 0.6101353724459885
Energy: 0.4570296422617827
Energy: 0.5047622207373798
Energy: 0.45702964226317394
Energy: 0.695845200851919
Energy: 0.4592218364377202
Energy: 0.5047846362257153
Energy: 0.45922183644050263
Energy: 0.5440176175819649
Energy: 0.376805131174394
Energy: 0.5367209613257116
Energy: 0.376805131172539
Energy: 0.6957275090589458
Energy: 0.3769875714554024
Energy: 0.43833433527317883
Energy: 0.37698757145261996
Energy: 0.7141682439274994
Energy: 0.37530489760260033
Energy: 0.4388003897444731
Energy: 0.37530489760445535
Energy: 0.6269785895514912
Energy: 0.28833951084125814
Energy: 0.33823676044105777
Energy: 0.28833951084125814
Energy: 0.7815663422193012
Energy: 0.28839035699093657
Energy: 0.338304444615872
Energy: 0.2883903569900091
Energy: 0.7150515615405273
Energy: 0.2880850633384907
Energy: 0.34386847758398054
Energy: 0.2880850633375631
Energy: 0.6267166984889821
Energy: 0.28915141955423046
Energy: 0.2873987918354598
Energy: 0.2891514195546942
Energy: 0.8244776096666948
Energy: 0.28752152166903666
Energy: 0.2876996391478714
Energy: 0.2875215216681091
Energy: 0.6693636183167798
Energy: 0.2888175792559203
Energy: 0.2874452772615469
Energy: 0.2888175792559203

minimum gb energy = 0.2853924295054394 eV
minimum distance =  2.58687277769115 Angstroms
sigma value = 113


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

Energy: 0.01178520711877443
Energy: 0.3583618943841472
Energy: 0.6694531685513155
Energy: 0.35836189438450367
Energy: 0.3796868039323385
Energy: 0.06872315104914098
Energy: 0.37977012741610067
Energy: 0.06872315104949747
Energy: 0.012120778462754828
Energy: 0.06817845088731922
Energy: 0.3782851749017421
Energy: 0.06817845088767571
Energy: 0.01320215380839398
Energy: 0.06766725293308312
Energy: 0.37768834482701225
Energy: 0.06766725293238993
Energy: 0.3820261737736285
Energy: 0.06885875513653264
Energy: 0.3789092695956402
Energy: 0.06885875513617615
Energy: 0.012168291491022887
Energy: 0.06823374328568167
Energy: 0.3785955360472159
Energy: 0.06823374328534497

minimum gb energy = 0.01178520711877443 eV
minimum distance =  2.81545237841944 Angstroms
sigma value = 1