Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001
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=4.049985826015473
cohesive_energy=3.3534000933305403
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.010337466538110917
Energy: 0.010932256227824778
Energy: 0.2709901217102198
Energy: 0.010932256227824778
Energy: 0.010932256228324498
Energy: 0.4200787676713509
Energy: 0.010932256228324498
Energy: 0.4200787676713509
Energy: 0.2709901217102198
Energy: 0.010932256228324498
Energy: 0.010337466538110917
Energy: 0.010932256227824778
Energy: 0.010932256228324498
Energy: 0.42007876767085117
Energy: 0.010932256228324498
Energy: 0.4200787676713509

minimum gb energy = 0.010337466538110917 eV
minimum distance =  2.7334822935133 Angstroms
sigma value = 1


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

Energy: 0.6444011393490802
Energy: 0.5855133911477225
Energy: 0.6124217472998671
Energy: 0.5855133911477225
Energy: 0.6299562027137948
Energy: 0.5837922971552743
Energy: 0.5689466843527661
Energy: 0.5837922968342315
Energy: 0.5340695632397197
Energy: 0.5731268330345451
Energy: 0.6033598891329405
Energy: 0.5731268330345451
Energy: 0.5565535300819533
Energy: 0.6197742508857219
Energy: 0.620782886394252
Energy: 0.6197742508717827
Energy: 0.5633027724514068
Energy: 0.5961697135221239
Energy: 0.5780398868522535
Energy: 0.5961697135093967
Energy: 0.5919174808130864
Energy: 0.6537877026541029
Energy: 0.5532691101873719
Energy: 0.6537877026541029
Energy: 0.571219439182808
Energy: 0.6337365098616379
Energy: 0.5240112920273483
Energy: 0.6337365098616379
Energy: 0.5653323715501147
Energy: 0.5846933568732267
Energy: 0.5459490439623966
Energy: 0.5846933568738325
Energy: 0.537619906955357
Energy: 0.7480891887058262
Energy: 0.6468746876826348
Energy: 0.7480891887052202
Energy: 0.5535353113085894
Energy: 0.5701964310264911
Energy: 0.5093296783231226
Energy: 0.5701964310264911
Energy: 0.6371042402445755
Energy: 0.6203806293073663
Energy: 0.5371675709438911
Energy: 0.6203806289233217
Energy: 0.5653057644777432
Energy: 0.5910067335907944
Energy: 0.5578098055965192
Energy: 0.5910067335683704
Energy: 0.5585470159911822
Energy: 0.6270929990333923
Energy: 0.5769235060530886
Energy: 0.6270929990339984
Energy: 0.6220141783369404
Energy: 0.595142515525978
Energy: 0.5434655148653444
Energy: 0.595142515525372
Energy: 0.5740201457760173
Energy: 0.5887515797170123
Energy: 0.68122236987421
Energy: 0.5887515797176184
Energy: 0.5541526497594876
Energy: 0.6050944382769846
Energy: 0.5658538357542257
Energy: 0.6050944382763785
Energy: 0.5747697303409103
Energy: 0.5727909374386916
Energy: 0.5316313124532985
Energy: 0.5727909374392977
Energy: 0.6044258192368126
Energy: 0.6165399290161918
Energy: 0.6703964500445881
Energy: 0.616539929017404
Energy: 0.5265079393664345
Energy: 0.5997915706528636
Energy: 0.5581202663247423
Energy: 0.5997915706528636
Energy: 0.6240911767538343
Energy: 0.7154561281227098
Energy: 0.537996644618204
Energy: 0.7154561281221038
Energy: 0.5575943581388564
Energy: 0.5704534663747195
Energy: 0.5075072489264286
Energy: 0.5704534663747195
Energy: 0.5384067053909527
Energy: 0.6742004809176068
Energy: 0.6498237582693127
Energy: 0.6742004809163946
Energy: 0.6059671319833954
Energy: 0.5826270330924986
Energy: 0.5221552865480201
Energy: 0.5826270330591659
Energy: 0.592815622244924
Energy: 0.5904480456515067
Energy: 0.5277069923342655
Energy: 0.5904480456539309
Energy: 0.5859292155682637
Energy: 0.6630974748747617
Energy: 0.61386432976443
Energy: 0.6630974748747617
Energy: 0.551467804192905
Energy: 0.5833811541158317
Energy: 0.5407094034786926
Energy: 0.5833811541206801
Energy: 0.5529453293356277
Energy: 0.6898370318481665
Energy: 0.5990110852030818
Energy: 0.6898370318481665
Energy: 0.5354538520781209
Energy: 0.5666940023300822
Energy: 0.5928950417428678
Energy: 0.5666940023306882
Energy: 0.5572966419061399
Energy: 0.5855368511748759
Energy: 0.5971443709267861
Energy: 0.5855368512318448
Energy: 0.5987267583180672
Energy: 0.5789520510771377
Energy: 0.5842405083247548
Energy: 0.578952051078956
Energy: 0.624383234598372
Energy: 0.6145803035492825
Energy: 0.5979223591862083
Energy: 0.6145803035492825
Energy: 0.5661115511857402
Energy: 0.5787723721408965
Energy: 0.6175825605378091
Energy: 0.5787723721408965
Energy: 0.5554632769569303
Energy: 0.6424513922568995
Energy: 0.541031165314218
Energy: 0.6424513922575055

minimum gb energy = 0.5075072489264286 eV
minimum distance =  2.54967295071918 Angstroms
sigma value = 1


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

Energy: 0.6227688924007541
Energy: 0.6185237721152751
Energy: 0.654367742883153
Energy: 0.6185237718217229
Energy: 0.5688151386640159
Energy: 0.6109643426336537
Energy: 0.6364086420446384
Energy: 0.610964342717925
Energy: 0.564420668231212
Energy: 0.6136989800632446
Energy: 0.6631272265892858
Energy: 0.6136989799727542
Energy: 0.5952144495291566
Energy: 0.6426178612260788
Energy: 0.5455773151254366
Energy: 0.6426210349382566
Energy: 0.6239572983923094
Energy: 0.6177970911037582
Energy: 0.6335204296299353
Energy: 0.6177970911037582
Energy: 0.599920886215037
Energy: 0.6163785602456466
Energy: 0.5784560457848937
Energy: 0.6163785602428827
Energy: 0.690604332523708
Energy: 0.6710898441489653
Energy: 0.5450444204899992
Energy: 0.6710898509565104
Energy: 0.5334062502945922
Energy: 0.6216561125220935
Energy: 0.5780203874768977
Energy: 0.6216561125234756
Energy: 0.5487904291394685
Energy: 0.7066520353078569
Energy: 0.7042121755243194
Energy: 0.7066520358693941
Energy: 0.5860559575499824
Energy: 0.6180696604751632
Energy: 0.5470643837909835
Energy: 0.6180696604744722
Energy: 0.648254056736091
Energy: 0.6377314865007256
Energy: 0.6299356405074658
Energy: 0.6377314865007256
Energy: 0.546453201058134
Energy: 0.628117420992518
Energy: 0.6558799007351664
Energy: 0.6281174209918269
Energy: 0.5936858765973566
Energy: 0.6240379758838106
Energy: 0.5745861371327647
Energy: 0.6240379758796646
Energy: 0.6029034673948249
Energy: 0.627951079236786
Energy: 0.5749741815275458
Energy: 0.6279510792374768
Energy: 0.5435715492521629
Energy: 0.6280019141170069
Energy: 0.6566031453304957
Energy: 0.6280019141170069
Energy: 0.6567545018502483
Energy: 0.6354547308219068
Energy: 0.6308673495098658
Energy: 0.6354547308205247
Energy: 0.5850334337890907
Energy: 0.6110448259106985
Energy: 0.5569680955272561
Energy: 0.6110448259548916
Energy: 0.5496079957747737
Energy: 0.7138001685082874
Energy: 0.7009504604234585
Energy: 0.7138001684938077
Energy: 0.5329591847727966
Energy: 0.6170589671157123
Energy: 0.57996227866983
Energy: 0.6170589671157123
Energy: 0.6924687323477945
Energy: 0.682244558174078
Energy: 0.5457201612717251
Energy: 0.682244558174078
Energy: 0.6366857789315145
Energy: 0.6079101377361512
Energy: 0.5787295160962846
Energy: 0.6079101377050872
Energy: 0.6268019870251673
Energy: 0.6160766349623649
Energy: 0.6323692824608417
Energy: 0.6160766349623649
Energy: 0.6320971316504123
Energy: 0.6549668512421379
Energy: 0.6463618596858428
Energy: 0.6549668512428288
Energy: 0.5652510392105238
Energy: 0.61944351783599
Energy: 0.6173155172047915
Energy: 0.619443517834608
Energy: 0.5688274498421798
Energy: 0.6294358390073655
Energy: 0.6358285074891751
Energy: 0.6294358390080566
Energy: 0.6227688924718965
Energy: 0.6185237717105336
Energy: 0.6490752972459206
Energy: 0.6185237716815114
Energy: 0.5688151386667799
Energy: 0.6109643426771557
Energy: 0.6364086420446384
Energy: 0.6109643427213802
Energy: 0.5644206682305211
Energy: 0.6136989800563347
Energy: 0.6631272265885947
Energy: 0.6136989800936177
Energy: 0.5952144506018185
Energy: 0.6315210029772932
Energy: 0.678269943751166
Energy: 0.6281609385768198

minimum gb energy = 0.5329591847727966 eV
minimum distance =  2.49594086075601 Angstroms
sigma value = 25


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

Energy: 0.6237979994914765
Energy: 0.6398468885151672
Energy: 0.7041726645731954
Energy: 0.6398468885151672
Energy: 0.61131535900249
Energy: 0.6837536829674138
Energy: 0.6321234904994879
Energy: 0.6837536829682171
Energy: 0.5992681275920474
Energy: 0.6526385709452691
Energy: 0.6357882618514485
Energy: 0.6526385709452691
Energy: 0.58613934265222
Energy: 0.6734409817561093
Energy: 0.5665827207906619
Energy: 0.6734409817625356
Energy: 0.5683793627750241
Energy: 0.6635944151975074
Energy: 0.5798434656489241
Energy: 0.6635944151975074
Energy: 0.6947830956363301
Energy: 0.6613035391675615
Energy: 0.6909608123882448
Energy: 0.6613035391675615
Energy: 0.7492076574952873
Energy: 0.7137292699102321
Energy: 0.5682198452731165
Energy: 0.7137292699102321
Energy: 0.6780260962162206
Energy: 0.6443682227524198
Energy: 0.5598648249018829
Energy: 0.6443682227524198
Energy: 0.6976486195760101
Energy: 0.6629337976431162
Energy: 0.6992223302850741
Energy: 0.6629337976439195
Energy: 0.6286522835395351
Energy: 0.6475267944447436
Energy: 0.5796818953280846
Energy: 0.6475267944407271
Energy: 0.6093641470883666
Energy: 0.6789728034904915
Energy: 0.6118781026160739
Energy: 0.6789728034904915
Energy: 0.6042751281860905
Energy: 0.6631922481231124
Energy: 0.5881898465978384
Energy: 0.6631922481231124
Energy: 0.6297341119531856
Energy: 0.6747263440455147
Energy: 0.5683451471595916
Energy: 0.6747263440455147
Energy: 0.729165410718
Energy: 0.6845842833309831
Energy: 0.773062702451723
Energy: 0.6845842833309831
Energy: 0.5849827290574603
Energy: 0.6539658078453584
Energy: 0.5631728487450597
Energy: 0.6539658078453584
Energy: 0.7535025414564165
Energy: 0.7343935946929655
Energy: 0.5689661708632859
Energy: 0.7343935906807706
Energy: 0.5669635028325272
Energy: 0.6583036954851197
Energy: 0.5600257819998576
Energy: 0.6583036943843172
Energy: 0.5653827531241221
Energy: 0.6508107594419082
Energy: 0.601881277926401
Energy: 0.65081075933834
Energy: 0.6053263737960282
Energy: 0.6909817853612099
Energy: 0.586052973511315
Energy: 0.6909817853612099
Energy: 0.6392062598627086
Energy: 0.6573808844016867
Energy: 0.6247552890015102
Energy: 0.6573808845943824
Energy: 0.5811079918158641
Energy: 0.674554408195
Energy: 0.6367044743054429
Energy: 0.6745544081805593
Energy: 0.6218816161892717
Energy: 0.6358444151534298
Energy: 0.6370410858499479
Energy: 0.6358444151534298
Energy: 0.6609964857709524
Energy: 0.6393351217290938
Energy: 0.6759071611314935
Energy: 0.6393340144721552
Energy: 0.5973848615110757
Energy: 0.656446674668394
Energy: 0.6221368437046826
Energy: 0.6564466746700007
Energy: 0.7202192348300734
Energy: 0.7537620520594349
Energy: 0.5654677518870918
Energy: 0.7537620520594349

minimum gb energy = 0.5598648249018829 eV
minimum distance =  2.56688099470314 Angstroms
sigma value = 9


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

Energy: 0.6632133168500663
Energy: 0.7162989811770956
Energy: 0.7593785959812909
Energy: 0.7162989811780537
Energy: 0.7770324202331195
Energy: 0.7056629005128802
Energy: 0.5886597100788895
Energy: 0.7056629005128802
Energy: 0.6247001863668301
Energy: 0.6905064713265814
Energy: 0.6093246255613871
Energy: 0.6905064713265814
Energy: 0.7133328402461155
Energy: 0.71167747225276
Energy: 0.6009767187885685
Energy: 0.71167747225276
Energy: 0.6610539872161499
Energy: 0.6670630421195306
Energy: 0.7293952805926895
Energy: 0.667063041916468
Energy: 0.6048349981958823
Energy: 0.7015850727182088
Energy: 0.6574221239206033
Energy: 0.7015850727172506
Energy: 0.8076752894985311
Energy: 0.7526975712802948
Energy: 0.5809591075475947
Energy: 0.7526975712793366
Energy: 0.634363223807832
Energy: 0.7018692138610847
Energy: 0.6073379599516457
Energy: 0.7018692138601264
Energy: 0.6478141328724466
Energy: 0.65172836943304
Energy: 0.6761036992564835
Energy: 0.65172836943304
Energy: 0.6214604874881154
Energy: 0.7147601270841479
Energy: 0.6309400966279962
Energy: 0.7147601270841479
Energy: 0.6036764364086564
Energy: 0.7087579440764332
Energy: 0.6074039757727658
Energy: 0.7087579440754749
Energy: 0.7243207816197879
Energy: 0.6868650271387146
Energy: 0.6013222030180013
Energy: 0.6868650271396727
Energy: 0.6056582007201687
Energy: 0.690232520324711
Energy: 0.6129157317452171
Energy: 0.6902325138028582
Energy: 0.8192640681088248
Energy: 0.6749469723078707
Energy: 0.6100076638788733
Energy: 0.6749469723088289
Energy: 0.6032588816799354
Energy: 0.7070966854721364
Energy: 0.6143585898376469
Energy: 0.7070966854711781
Energy: 0.7491858693935979
Energy: 0.6839318426889945
Energy: 0.5844928669635454
Energy: 0.6839318426487697
Energy: 0.6424101886150849
Energy: 0.7017484865137843
Energy: 0.6374753387292945
Energy: 0.7017484865137843
Energy: 0.6506026828169422
Energy: 0.7071580080381483
Energy: 0.6846197590483724
Energy: 0.7071580080314405
Energy: 0.6881043825095151
Energy: 0.661682493735945
Energy: 0.6676452358305482
Energy: 0.6616824936909288
Energy: 0.6713415787832671
Energy: 0.6950907910567261
Energy: 0.5993612908050103
Energy: 0.6950907910567261
Energy: 0.7034889448074109
Energy: 0.6858036137945774
Energy: 0.6029652865961012
Energy: 0.6858036162466178

minimum gb energy = 0.5809591075475947 eV
minimum distance =  2.55339857687763 Angstroms
sigma value = 25


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

Energy: 0.5857409320831114
Energy: 0.7194376802776417
Energy: 0.8224171595494727
Energy: 0.7194376802776417
Energy: 0.5841331221303021
Energy: 0.7276273854020433
Energy: 0.6262195282435757
Energy: 0.7276273854020433
Energy: 0.7796167355603961
Energy: 0.7197047166677588
Energy: 0.6115435193090574
Energy: 0.7197047166760542
Energy: 0.7866896700894236
Energy: 0.7184876110715087
Energy: 0.6795553518349446
Energy: 0.7184876110715087
Energy: 0.6834564643611607
Energy: 0.7005187466813314
Energy: 0.664783129619635
Energy: 0.7005187466801465
Energy: 0.6039292239584184
Energy: 0.7307464898757038
Energy: 0.7919347151839942
Energy: 0.7307539342827474
Energy: 0.6393169491012776
Energy: 0.7236310423822211
Energy: 0.5842097286109819
Energy: 0.7236310423810361
Energy: 0.6903274049663002
Energy: 0.7252100653997546
Energy: 0.5876922861921641
Energy: 0.7252100653985696
Energy: 0.6056838259307813
Energy: 0.7204421193838496
Energy: 0.589123751723864
Energy: 0.7204421193779242
Energy: 0.722519810633251
Energy: 0.6848819333147034
Energy: 0.5959283638761771
Energy: 0.6848818923082801
Energy: 0.6370401845872155
Energy: 0.7287179545379291
Energy: 0.7817899479590488
Energy: 0.7287179545331889
Energy: 0.6236775842799919
Energy: 0.6982520562036832
Energy: 0.7781657916538852
Energy: 0.6982520562107937
Energy: 0.7005950431655701
Energy: 0.7017290703816924
Energy: 0.6043204643916085
Energy: 0.7017290703816924
Energy: 0.585241724492248
Energy: 0.7146361846854896
Energy: 0.5856497023174299
Energy: 0.7146361846854896
Energy: 0.6063194011909012
Energy: 0.7301639761129911
Energy: 0.7740538935527361
Energy: 0.7301639761129911
Energy: 0.6071522923709258
Energy: 0.7129675018029165
Energy: 0.6094269949500635
Energy: 0.7129675018029165
Energy: 0.6023968150646295
Energy: 0.6451737376809864
Energy: 0.7359490902279938
Energy: 0.6451737376809864

minimum gb energy = 0.5841331221303021 eV
minimum distance =  2.62045816111539 Angstroms
sigma value = 17


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

Energy: 0.654383181529107
Energy: 0.7460670963998298
Energy: 0.8559661896662651
Energy: 0.7460670963991588
Energy: 0.6988207090302173
Energy: 0.6799196936076625
Energy: 0.6266972977731153
Energy: 0.6799196935895411
Energy: 0.7900183179847665
Energy: 0.7462963079022118
Energy: 0.6267032293455255
Energy: 0.7462963079022118
Energy: 0.6428859977232286
Energy: 0.7329007838767624
Energy: 0.6610305674354352
Energy: 0.7329007838801183
Energy: 0.7690373830839117
Energy: 0.6904920375331568
Energy: 0.6848887547766455
Energy: 0.6910257515206468
Energy: 0.6114162940027649
Energy: 0.7446015929129102
Energy: 0.8196154902229089
Energy: 0.7446015929149237
Energy: 0.6019452638121644
Energy: 0.7076674874193393
Energy: 0.5975440414391696
Energy: 0.7076674874200104
Energy: 0.7576208787595213
Energy: 0.7530371372844711
Energy: 0.6290457650537655
Energy: 0.753037121712317
Energy: 0.5986379200444366
Energy: 0.7483322660581077
Energy: 0.6996769210441726
Energy: 0.7483322660587787
Energy: 0.7547918846210021
Energy: 0.7036911581359838
Energy: 0.6500799049404304
Energy: 0.7036911503418681
Energy: 0.6108483414097939
Energy: 0.7345298685353865
Energy: 0.8112938651515208
Energy: 0.7345298685360577
Energy: 0.6069354516452067
Energy: 0.7084849593596942
Energy: 0.6261138220360944
Energy: 0.7084849593563385
Energy: 0.8241667107513552
Energy: 0.7201143993295008
Energy: 0.6668727592274979
Energy: 0.7201143995307588
Energy: 0.6165332334236162
Energy: 0.7243295139806026
Energy: 0.7020960911211435
Energy: 0.7243295139792603
Energy: 0.7119918767297231
Energy: 0.7069163523309964
Energy: 0.6020596666704693
Energy: 0.7069163523383791
Energy: 0.7067180352877765
Energy: 0.7533746778617249
Energy: 0.7105006500913101
Energy: 0.7533746778529997
Energy: 0.6452547579457257
Energy: 0.6680893448619241
Energy: 0.717227586232367
Energy: 0.6680893235303819
Energy: 0.7760568430669013
Energy: 0.7147540806959372
Energy: 0.6089397703640778
Energy: 0.7147540807046623
Energy: 0.6226678315306907
Energy: 0.730187946947582
Energy: 0.6790929310394742
Energy: 0.7301879469630188
Energy: 0.6118022117991241
Energy: 0.7423498674650788
Energy: 0.6309847260866172
Energy: 0.7423498674650788
Energy: 0.6633494016059557
Energy: 0.7239215573547517
Energy: 0.7033101352292248
Energy: 0.7239215574936217
Energy: 0.6374869068142752
Energy: 0.7313731898422386
Energy: 0.7548473543166602
Energy: 0.731373189839554
Energy: 0.7135494690653201
Energy: 0.7271257713575265
Energy: 0.6013937095569479
Energy: 0.7271257713421202
Energy: 0.6088433718210551
Energy: 0.7049254743943832
Energy: 0.684296374444296
Energy: 0.7049254743950544
Energy: 0.6139534371295207
Energy: 0.7431275014884828
Energy: 0.8069986133632667
Energy: 0.7431275014911675
Energy: 0.708313261167529
Energy: 0.7279158531961544
Energy: 0.6046466493210383
Energy: 0.7279158531954831
Energy: 0.6428679520943308
Energy: 0.7159832821043256
Energy: 0.871155353635293
Energy: 0.7159827142342773
Energy: 0.7038157162722226
Energy: 0.7140534830614349
Energy: 0.7001583353546338
Energy: 0.7140534830614349
Energy: 0.7287780055916502
Energy: 0.7496058767895709
Energy: 0.6875918160816457
Energy: 0.7496058767895709
Energy: 0.6067708628267193
Energy: 0.721699688085778
Energy: 0.7107326001177919
Energy: 0.721699688126719

minimum gb energy = 0.5975440414391696 eV
minimum distance =  2.53097968934531 Angstroms
sigma value = 53


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

Energy: 0.5711087002343745
Energy: 0.5711689508096272
Energy: 0.8543706138091905
Energy: 0.571168950808082
Energy: 0.6970248838600221
Energy: 0.6169820925356315
Energy: 0.6158494574833895
Energy: 0.6169820925356315
Energy: 0.5747371039298963
Energy: 0.5710677453795389
Energy: 0.6203285122545628
Energy: 0.5710677453795389
Energy: 0.5874133715039405
Energy: 0.6678752699772814
Energy: 0.6177779798905685
Energy: 0.6678752699788265
Energy: 0.7676840480944146
Energy: 0.617061549089393
Energy: 0.6153967817795253
Energy: 0.617061549089393
Energy: 0.5711087002343745
Energy: 0.571168950808082
Energy: 0.8543706138061002
Energy: 0.571168950808082
Energy: 0.6970248839063411
Energy: 0.6169820925356315
Energy: 0.6158494574833895
Energy: 0.6169820925356315
Energy: 0.5747371039422574
Energy: 0.5710677453810842
Energy: 0.6203285122545628
Energy: 0.5710677453810842
Energy: 0.5874133715008502
Energy: 0.6678752699772814
Energy: 0.6177779798905685
Energy: 0.6678752699788265
Energy: 0.7677175322901175
Energy: 0.617061549089393
Energy: 0.6153967817795253
Energy: 0.617061549089393
Energy: 0.5711087002343745
Energy: 0.571168950808082
Energy: 0.8543706138061002
Energy: 0.5711689508096272
Energy: 0.6970248839109764
Energy: 0.6169820925356315
Energy: 0.6158494574833895
Energy: 0.6169820925356315
Energy: 0.5747371039391671
Energy: 0.5710677453795389
Energy: 0.6203285122545628
Energy: 0.5710677453810842

minimum gb energy = 0.5710677453795389 eV
minimum distance =  2.59484069823678 Angstroms
sigma value = 9


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

Energy: 0.648625594595707
Energy: 0.7573866905108272
Energy: 0.8319833505638352
Energy: 0.7573866905113991
Energy: 0.7686373575053012
Energy: 0.650136476175155
Energy: 0.6284888755908976
Energy: 0.6501273705045337
Energy: 0.6319896066529348
Energy: 0.7139773787126161
Energy: 0.6159343392277986
Energy: 0.713977376818234
Energy: 0.7265903713934492
Energy: 0.7428116271684514
Energy: 0.6239482220370637
Energy: 0.7428116271678796
Energy: 0.8245232606915013
Energy: 0.6634356224752683
Energy: 0.6544153749310806
Energy: 0.6634356112239238
Energy: 0.6471624705722319
Energy: 0.7610029300852377
Energy: 0.8477495291117728
Energy: 0.7610029300961034
Energy: 0.8274700762253966
Energy: 0.7048823694870793
Energy: 0.6315353211917749
Energy: 0.7140105106500835
Energy: 0.7068441279294159
Energy: 0.7494328646072513
Energy: 0.6946817311358444
Energy: 0.7494328624670644
Energy: 0.6415248505106942
Energy: 0.7703739817717996
Energy: 0.6421254448085724
Energy: 0.7703739817637932
Energy: 0.723777661731316
Energy: 0.6815050974313823
Energy: 0.6302035801356597
Energy: 0.6815050974342418
Energy: 0.632225163886689
Energy: 0.7549296086927598
Energy: 0.7965429846653604
Energy: 0.754929608692188
Energy: 0.7839512060935162
Energy: 0.7539722544252822
Energy: 0.6411576960205907
Energy: 0.754215679562013
Energy: 0.6314984675121241
Energy: 0.7966990259470125
Energy: 0.7597270144354796
Energy: 0.7966990259487282
Energy: 0.7717884378527302
Energy: 0.757123306813757
Energy: 0.6183590532372142
Energy: 0.7571233068017735
Energy: 0.6128602543915976
Energy: 0.677339871685084
Energy: 0.6910991960943698
Energy: 0.6773398712717961
Energy: 0.6348411750216821
Energy: 0.750757574924373
Energy: 0.7113657274619453
Energy: 0.7507575747060184
Energy: 0.6681976366406606
Energy: 0.722716256277925
Energy: 0.620600756063357
Energy: 0.7227162562790687
Energy: 0.6235859231431877
Energy: 0.7160593928248397
Energy: 0.8528048485485489
Energy: 0.7160593928259834
Energy: 0.7971867639708742
Energy: 0.7578800559885228
Energy: 0.6385943919924276
Energy: 0.7578800560045355
Energy: 0.6237927976799303
Energy: 0.6634366941372964
Energy: 0.747537807050969
Energy: 0.663436694274496
Energy: 0.696330204199304
Energy: 0.7459552627890241
Energy: 0.7005517015789164
Energy: 0.7459552635744249
Energy: 0.6809206664555568
Energy: 0.6988972819320916
Energy: 0.6284027957355596
Energy: 0.6988972818177674
Energy: 0.6410268139218398
Energy: 0.7132617220279169
Energy: 0.6638563310004043
Energy: 0.7132617366061276
Energy: 0.7906156681618749
Energy: 0.741564653818732
Energy: 0.6406006485134219
Energy: 0.741564654540134
Energy: 0.618958277856005
Energy: 0.753417549061282
Energy: 0.8217751100032104
Energy: 0.7534175496117697
Energy: 0.6545876552805133
Energy: 0.7216055610251265
Energy: 0.6426264021105054
Energy: 0.7216055610285578
Energy: 0.7542674574072323
Energy: 0.718749603306612
Energy: 0.7174562339984694
Energy: 0.7187496033129026
Energy: 0.647889049476807
Energy: 0.745359684639011
Energy: 0.733116508606669
Energy: 0.7453596743645694
Energy: 0.6771831271533074
Energy: 0.6823594738184052
Energy: 0.6293495596667326
Energy: 0.6823569959231705
Energy: 0.6427679483143217
Energy: 0.7557394766758377
Energy: 0.8268817512777566
Energy: 0.7557394775326977
Energy: 0.7267775323955784
Energy: 0.7347474295697459
Energy: 0.6561139110214435
Energy: 0.7347474295708898
Energy: 0.636303881005075
Energy: 0.7111682346613578
Energy: 0.6710845781976911
Energy: 0.7111682346470607
Energy: 0.6380709485577679
Energy: 0.7294103841019933
Energy: 0.6277554519372246
Energy: 0.7294103841031371
Energy: 0.6927152839541406
Energy: 0.740667048178544
Energy: 0.7123879842419549
Energy: 0.740667048178544
Energy: 0.6493135171323183
Energy: 0.7619538365241834
Energy: 0.8191261298320647
Energy: 0.7619538425314042

minimum gb energy = 0.6128602543915976 eV
minimum distance =  2.51601956938743 Angstroms
sigma value = 73


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

Energy: 0.6508511806555114
Energy: 0.6793164651373697
Energy: 0.8315336338331556
Energy: 0.6793476331795223
Energy: 0.6754132902893594
Energy: 0.7946281429136547
Energy: 0.6213075414385885
Energy: 0.7946281428982506
Energy: 0.6109377899416478
Energy: 0.7017382556356399
Energy: 0.6376641553323235
Energy: 0.7017382544393791
Energy: 0.6354605452524237
Energy: 0.68358401319275
Energy: 0.6304848680610271
Energy: 0.6837006989084192
Energy: 0.6846785575955353
Energy: 0.6544152320240224
Energy: 0.6798855437896334
Energy: 0.6544152320276311
Energy: 0.6403959423262311
Energy: 0.7350395392163257
Energy: 0.7844706473256811
Energy: 0.7350395395618559
Energy: 0.8580940771737955
Energy: 0.7816615516522719
Energy: 0.6236681963652501
Energy: 0.7816615516531792
Energy: 0.6403068770158818
Energy: 0.6598178619849477
Energy: 0.7917524266270473
Energy: 0.6598178673666878
Energy: 0.8426036766553748
Energy: 0.7285378368999373
Energy: 0.6039494565888522
Energy: 0.7285378368972153
Energy: 0.6651483159672454
Energy: 0.6759907314689192
Energy: 0.6002104598239822
Energy: 0.6759907314680118
Energy: 0.6424328562559979
Energy: 0.7174403930476737
Energy: 0.7593155808230867
Energy: 0.7174403929896248
Energy: 0.7605866579617887
Energy: 0.6916201644150434
Energy: 0.6280372932090182
Energy: 0.6916201686359292
Energy: 0.6290797911105763
Energy: 0.721856585867283
Energy: 0.907427855088247
Energy: 0.7218565859897115
Energy: 0.7721806590388118
Energy: 0.7555988621187316
Energy: 0.6327428257391158
Energy: 0.7555988621178242
Energy: 0.6175692915860066
Energy: 0.6854952403157659
Energy: 0.7974442119210334
Energy: 0.6878815329455412
Energy: 0.7732447487519502
Energy: 0.7805948875346767
Energy: 0.6515750645218799
Energy: 0.780594887532862
Energy: 0.6609317181815619
Energy: 0.7508424754471286
Energy: 0.6340625550134792
Energy: 0.7508424754471286
Energy: 0.6477257654533359
Energy: 0.7047028699100556
Energy: 0.6133071850335274
Energy: 0.7047026371075468
Energy: 0.7699817074918257
Energy: 0.6591036008851181
Energy: 0.6300237049291754
Energy: 0.6591035936632181
Energy: 0.6419174318667356
Energy: 0.7672883726118279
Energy: 0.8361618642009815
Energy: 0.7672883623489706
Energy: 0.753908800036658
Energy: 0.7271070760471933
Energy: 0.6296239125333847
Energy: 0.727107076027232
Energy: 0.6296731616521779
Energy: 0.7216732136854088
Energy: 0.7077253906874517
Energy: 0.7216732129716447

minimum gb energy = 0.6002104598239822 eV
minimum distance =  2.50482535137555 Angstroms
sigma value = 7


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

Energy: 0.6083977322331351
Energy: 0.7193437261353222
Energy: 0.839604446031875
Energy: 0.7193437261353222
Energy: 0.8062231754775492
Energy: 0.8318213884803312
Energy: 0.6480852631000692
Energy: 0.8318213884822558
Energy: 0.6548888369713718
Energy: 0.7242155873376743
Energy: 0.6526114903695885
Energy: 0.7242155873267674
Energy: 0.6642256148816759
Energy: 0.6789478286834338
Energy: 0.6279586349716824
Energy: 0.6789482368443723
Energy: 0.6458420224585221
Energy: 0.6851569640483364
Energy: 0.6317528962324652
Energy: 0.6851569639720171
Energy: 0.6351710446259494
Energy: 0.7206179669144076
Energy: 0.8261453891142044
Energy: 0.7206179669201819
Energy: 0.830822417288059
Energy: 0.7649627161250157
Energy: 0.6524311150513481
Energy: 0.7649627207750669
Energy: 0.627242237226659
Energy: 0.6400056970382408
Energy: 0.8578382455672127
Energy: 0.6621046660418518
Energy: 0.8574912316037936
Energy: 0.6622831140037759
Energy: 0.6335737363753337
Energy: 0.6622830254192673
Energy: 0.6406860473129139
Energy: 0.6853675015985278
Energy: 0.7521042963865793
Energy: 0.6853675082013257
Energy: 0.6768961187594569
Energy: 0.7379238415866566
Energy: 0.6564732818488684
Energy: 0.7379238415847319
Energy: 0.6129036702710697
Energy: 0.7000930331443872
Energy: 0.6358462681239446
Energy: 0.7000930331437456
Energy: 0.6276687447247467
Energy: 0.7117833791804821
Energy: 0.649811678815534
Energy: 0.7117833857403231
Energy: 0.6737263665750448
Energy: 0.7197700421912894
Energy: 0.6463082653728307
Energy: 0.7197700422040919
Energy: 0.6680948501064186
Energy: 0.7672023372213643
Energy: 0.7946796051443357
Energy: 0.7672022800265018
Energy: 0.8012008796123988
Energy: 0.719972450082922
Energy: 0.6235851854390776
Energy: 0.7199724500816389
Energy: 0.6341543045032895
Energy: 0.7571261167015174
Energy: 0.7059948440891941
Energy: 0.757126116702159
Energy: 0.6482395724362697
Energy: 0.7561732421530667
Energy: 0.6388029950163086
Energy: 0.7561732421530667
Energy: 0.6349107076705041
Energy: 0.7269000626112123
Energy: 0.7888647002084735
Energy: 0.7269000605616155
Energy: 0.640973705841264
Energy: 0.660017631865637
Energy: 0.6396146864392072
Energy: 0.6600176376161788
Energy: 0.8227211274659473
Energy: 0.7379312759685586
Energy: 0.6249993888415751
Energy: 0.7379312759653506
Energy: 0.6686446093531859
Energy: 0.7348566605503609
Energy: 0.7632339364624494
Energy: 0.7348567592135042
Energy: 0.8591803078079949
Energy: 0.7120488019944822
Energy: 0.6570948200401758
Energy: 0.7120488019919158
Energy: 0.6138230779449234
Energy: 0.7345265081163217
Energy: 0.8470251708714227
Energy: 0.7345265081169633
Energy: 0.6613673785640842
Energy: 0.66485581475781
Energy: 0.6383653875662261
Energy: 0.6648586848025748
Energy: 0.7088081304727981
Energy: 0.7219009745861976
Energy: 0.661456326896816
Energy: 0.721900974593255
Energy: 0.6427161032402943
Energy: 0.6726059022864443
Energy: 0.7667421755836464
Energy: 0.6725986765568187
Energy: 0.6667685869824552
Energy: 0.6828050125874879
Energy: 0.6308455066236377
Energy: 0.6828050125874879
Energy: 0.6163769012032932
Energy: 0.6967037010800171
Energy: 0.8004066086426018
Energy: 0.6965643903520703
Energy: 0.7138121861396847
Energy: 0.844650994179698
Energy: 0.6565818807702969
Energy: 0.8446509941816227
Energy: 0.6190561921174539
Energy: 0.8036573285857627
Energy: 0.7454579106874522
Energy: 0.8036573285838379

minimum gb energy = 0.6083977322331351 eV
minimum distance =  2.51316396376096 Angstroms
sigma value = 29


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

Energy: 0.6112295318709573
Energy: 0.7141468242243781
Energy: 0.8404669107629958
Energy: 0.7141468242243781
Energy: 0.7722539064217147
Energy: 0.7794337091359469
Energy: 0.6880121515166663
Energy: 0.779433709087029
Energy: 0.6058943624804528
Energy: 0.7063020125129502
Energy: 0.6861406753880938
Energy: 0.706302012510765
Energy: 0.6169654981501467
Energy: 0.6813411808263309
Energy: 0.6859909779732496
Energy: 0.6813411808263309
Energy: 0.6132986978967498
Energy: 0.7394511626881322
Energy: 0.5854935044107903
Energy: 0.7394511626819988
Energy: 0.6807906455318105
Energy: 0.6187441227433864
Energy: 0.676271152369163
Energy: 0.6187441227431629
Energy: 0.5854490819286705
Energy: 0.7004781257406498
Energy: 0.6196645130069244
Energy: 0.7004781257404512
Energy: 0.6906242598394507
Energy: 0.6818486520389198
Energy: 0.6101258778969708
Energy: 0.6818486520386963
Energy: 0.7731838677210147
Energy: 0.6757718599287578
Energy: 0.6053579362081724
Energy: 0.6757718599276653

minimum gb energy = 0.5854490819286705 eV
minimum distance =  2.597731608514 Angstroms
sigma value = 5


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

Energy: 0.5953554517554998
Energy: 0.7327086967898221
Energy: 0.8355147323951254
Energy: 0.7327086967855798
Energy: 0.7359103221584639
Energy: 0.8151578916743184
Energy: 0.6125544080689554
Energy: 0.8151578916749246
Energy: 0.5809388113906119
Energy: 0.6167460077458937
Energy: 0.801315564981641
Energy: 0.6167460076871342
Energy: 0.7212686332174351
Energy: 0.6190899160526805
Energy: 0.5780747076612054
Energy: 0.6191117171445879
Energy: 0.6748033397149285
Energy: 0.7644962642435718
Energy: 0.7435301191246088
Energy: 0.764496263060474
Energy: 0.6871040909549719
Energy: 0.6806762943041904
Energy: 0.5860720746450558
Energy: 0.6806762884541278
Energy: 0.6282387424395774
Energy: 0.7125344820924614
Energy: 0.6435838311629442
Energy: 0.7125344795723834
Energy: 0.6251049426190805
Energy: 0.7765269605215916
Energy: 0.6841017219059271
Energy: 0.7765269605209856
Energy: 0.6316850203765484
Energy: 0.7784303185968952
Energy: 0.659697701411038
Energy: 0.7784303185920468
Energy: 0.6813055416223349
Energy: 0.7608112385243363
Energy: 0.6569827396138528
Energy: 0.7608112385455481
Energy: 0.6804027079964517
Energy: 0.7303006083827228
Energy: 0.5839026127234027
Energy: 0.7303006087474014
Energy: 0.6105571104379393
Energy: 0.7047427790250392
Energy: 0.7149023420121887
Energy: 0.7026616267701135
Energy: 0.7878443178102953
Energy: 0.6336925472272686
Energy: 0.607430406623431
Energy: 0.6336925215044856
Energy: 0.7203565316392953
Energy: 0.7794184470427568
Energy: 0.7826209574008713
Energy: 0.7794184470276054
Energy: 0.7887807373950221
Energy: 0.7347910976656438
Energy: 0.5829364291007725
Energy: 0.7347910976638256
Energy: 0.5837290903496378
Energy: 0.5733041135306749
Energy: 0.8265751600812704
Energy: 0.5733041120774154
Energy: 0.7454802228465394
Energy: 0.7451341784366445
Energy: 0.7023011834679751
Energy: 0.7451341784378566
Energy: 0.5765802836141527
Energy: 0.6171060765385117
Energy: 0.7362448603651478
Energy: 0.6171060001207043
Energy: 0.7491678480596706
Energy: 0.680579832416953
Energy: 0.589331120032968
Energy: 0.6805752983314852
Energy: 0.590024842383757
Energy: 0.832719291843944
Energy: 0.7064601675044201
Energy: 0.8327192728011306
Energy: 0.6459986093335305
Energy: 0.7204859315583995
Energy: 0.6045007590615382
Energy: 0.7204859316207953
Energy: 0.6720928557107374
Energy: 0.7094313802736432
Energy: 0.6944874954428778
Energy: 0.7094313751002386
Energy: 0.6551865129930919
Energy: 0.7423626066729923
Energy: 0.6440215007668932
Energy: 0.7423626063186167
Energy: 0.6110924868410609
Energy: 0.6352110948089955
Energy: 0.6425689625866658
Energy: 0.698771293856347
Energy: 0.60272813117976
Energy: 0.656606341118087
Energy: 0.652649986778705
Energy: 0.6566062177459782
Energy: 0.7597078260005619
Energy: 0.7421015627185326
Energy: 0.6254166250585171
Energy: 0.7421015627258053
Energy: 0.6446742485123341
Energy: 0.6766833525926247
Energy: 0.7649397984322278
Energy: 0.676683244068893
Energy: 0.8093336672076569
Energy: 0.7830941228991887
Energy: 0.5811598352628495
Energy: 0.7830941236091796
Energy: 0.6701926452249426
Energy: 0.778721472240719
Energy: 0.7694261289029106
Energy: 0.7787214722413252
Energy: 0.8478888252145309
Energy: 0.7227598369293007
Energy: 0.5778419027825052
Energy: 0.7227598399527606
Energy: 0.577160864444886
Energy: 0.6184979559129208
Energy: 0.8498370785215782
Energy: 0.6184979884865249
Energy: 0.7774496510572169
Energy: 0.6937746633781328
Energy: 0.6395887401238838
Energy: 0.6937746633109159
Energy: 0.6127576985206545
Energy: 0.7888919598268055
Energy: 0.8116153427498098
Energy: 0.7888919598286236

minimum gb energy = 0.5733041120774154 eV
minimum distance =  2.47705069219882 Angstroms
sigma value = 1


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

Energy: 0.5468621486482678
Energy: 0.5469706921341162
Energy: 0.8188071317663876
Energy: 0.5469706921341162
Energy: 0.7694235169885277
Energy: 0.7635717438233579
Energy: 0.5637861765751669
Energy: 0.7635717436725998
Energy: 0.5553088349425981
Energy: 0.7034131176030307
Energy: 0.7507910789951417
Energy: 0.7034131177186131
Energy: 0.7419373099428561
Energy: 0.6082559994876606
Energy: 0.6009461930597982
Energy: 0.6082564078980339
Energy: 0.579349204296212
Energy: 0.634219544111718
Energy: 0.738000265732678
Energy: 0.6342195441343432
Energy: 0.7134336247104155
Energy: 0.7455603688251772
Energy: 0.6060050525756331
Energy: 0.745560368646766
Energy: 0.623784312436126
Energy: 0.7142013294878967
Energy: 0.7061975649607607
Energy: 0.7142012807129868
Energy: 0.6247705147140037
Energy: 0.7889826089245469
Energy: 0.6503938941299104
Energy: 0.788982608923709
Energy: 0.5466352808890133
Energy: 0.6139548660752702
Energy: 0.5677402367841833
Energy: 0.5561989213920774
Energy: 0.5466725880562183
Energy: 0.7104073858704082
Energy: 0.574475356870842
Energy: 0.7104073856911591
Energy: 0.617972830532182
Energy: 0.7799038293250732
Energy: 0.5658597194054834
Energy: 0.7799038284724022
Energy: 0.6162055140409997
Energy: 0.6894347047474286
Energy: 0.6158486939545257
Energy: 0.6894346791387489
Energy: 0.7031561905524132
Energy: 0.7652305903713421
Energy: 0.5470365507382831
Energy: 0.7652305903755321
Energy: 0.5787774233745455
Energy: 0.6337720497625045
Energy: 0.7004933692926534
Energy: 0.6337720497826157
Energy: 0.7389935437945168
Energy: 0.5940609111196455
Energy: 0.5468609009595148
Energy: 0.5940609111238353
Energy: 0.552371477721538
Energy: 0.6884816252678024
Energy: 0.7485510820539439
Energy: 0.6884816248506845
Energy: 0.7710020209794295
Energy: 0.7784402711386985
Energy: 0.6523132869267784
Energy: 0.7784402711395365
Energy: 0.5468621486482678
Energy: 0.5469706921341162
Energy: 0.6990757938352022
Energy: 0.5469706921349542
Energy: 0.769423516647627
Energy: 0.7635717464483895
Energy: 0.5637861787495619
Energy: 0.7635717465689998
Energy: 0.5553088349425981
Energy: 0.7034131222198564
Energy: 0.7750730810015845
Energy: 0.7034131222098006
Energy: 0.741937309917717
Energy: 0.6082502341226046
Energy: 0.6009461930597982
Energy: 0.6082501841934882
Energy: 0.57934920434729
Energy: 0.6342195439735103
Energy: 0.7492897894556314
Energy: 0.6342195439743483
Energy: 0.7134336247104155
Energy: 0.7455603698621251
Energy: 0.6060050525680913
Energy: 0.7455603700271287
Energy: 0.6237843124713015
Energy: 0.7142015162886773
Energy: 0.7121571652607724
Energy: 0.7142015435583061

minimum gb energy = 0.5466352808890133 eV
minimum distance =  2.55093552504768 Angstroms
sigma value = 17


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

Energy: 0.545604390732236
Energy: 0.7690978155526812
Energy: 0.7990879275895696
Energy: 0.769097815553717
Energy: 0.6826560363970078
Energy: 0.6797522519725743
Energy: 0.5606347498906779
Energy: 0.6797522517323482
Energy: 0.5455774920929052
Energy: 0.5825007944612409
Energy: 0.7354536077130682
Energy: 0.5825007944612409
Energy: 0.8226670878595939
Energy: 0.6647315732654003
Energy: 0.5824042454470376
Energy: 0.6647315692692308
Energy: 0.5625482319005446
Energy: 0.666629891162962
Energy: 0.7319495839025533
Energy: 0.6665471540196528
Energy: 0.7032185493524825
Energy: 0.8055415305988477
Energy: 0.5950178741455577
Energy: 0.8055415305869823
Energy: 0.6454710037240364
Energy: 0.7103936558962813
Energy: 0.6509604286177285
Energy: 0.7103936560717659
Energy: 0.6415628726776463
Energy: 0.6588053280595343
Energy: 0.5951944299769829
Energy: 0.6588053297068853
Energy: 0.5569119766880425
Energy: 0.653665073159179
Energy: 0.6118712032166591
Energy: 0.6536599614282828
Energy: 0.5699663784215637
Energy: 0.7624137873972179
Energy: 0.5931587789027135
Energy: 0.7624137873697675
Energy: 0.6361862690430349
Energy: 0.7121046797108588
Energy: 0.6455357981927871
Energy: 0.7121139369156354
Energy: 0.6452318840720512
Energy: 0.7458607167553197
Energy: 0.583253335986177
Energy: 0.7458607155345557
Energy: 0.5956938640878274
Energy: 0.7021688697191201
Energy: 0.5521620122721546
Energy: 0.7021688013483743
Energy: 0.6013667952752519
Energy: 0.6719878805522418
Energy: 0.7181979073976833
Energy: 0.671988980144221
Energy: 0.6319836373986619
Energy: 0.7523663829417876
Energy: 0.5514991424060597
Energy: 0.7523663828921132
Energy: 0.6821034277731846
Energy: 0.6557797027127605
Energy: 0.7912138057363824
Energy: 0.6557797027106889
Energy: 0.737544132761648
Energy: 0.6601836699584551
Energy: 0.591465389921138
Energy: 0.6601836696219411
Energy: 0.5378710664989896
Energy: 0.7473905974863769
Energy: 0.7567940745300136
Energy: 0.7473905974874129
Energy: 0.7117503896348892
Energy: 0.7501355005601694
Energy: 0.6285528930908441
Energy: 0.7501355005306473
Energy: 0.5461589204330382
Energy: 0.5852197454214194
Energy: 0.7020246791492056
Energy: 0.5852197112029226
Energy: 0.7309487658976369
Energy: 0.6235747985594952
Energy: 0.6127248468788574
Energy: 0.6235747985853918
Energy: 0.5908793911694463
Energy: 0.6658828293471059
Energy: 0.732929144486797
Energy: 0.6658828295019201
Energy: 0.8203461305853202
Energy: 0.6622792161365381
Energy: 0.5555818345767933
Energy: 0.6619705038873184
Energy: 0.5636647981020594
Energy: 0.6792666285777782
Energy: 0.6903262580284084
Energy: 0.6792666284835619
Energy: 0.667188407309522
Energy: 0.642402254849303
Energy: 0.5838804249778559
Energy: 0.6424022549922048
Energy: 0.6208925054777663
Energy: 0.7545942736032761
Energy: 0.7376659916198549
Energy: 0.7545942737047436
Energy: 0.7319074332899459
Energy: 0.7151768630249238
Energy: 0.5887512358978246
Energy: 0.7151768520470874
Energy: 0.5529131774204576
Energy: 0.7650539884195561
Energy: 0.6140444744564783
Energy: 0.765053988419038
Energy: 0.7093864594176975
Energy: 0.6696176028137577
Energy: 0.5817133076008602
Energy: 0.6696228879466414
Energy: 0.6307793283095783
Energy: 0.7487169727325635
Energy: 0.6643137669702369
Energy: 0.7487170494237815
Energy: 0.6027501378896964
Energy: 0.7734519289734544
Energy: 0.5987714940791973
Energy: 0.7734519289729364
Energy: 0.644139705100864
Energy: 0.7207050744789439
Energy: 0.578995055028996
Energy: 0.7207050743764406
Energy: 0.5968512369817642
Energy: 0.7432591110067777
Energy: 0.6896194756976637
Energy: 0.7432591110052239
Energy: 0.5968302871596445
Energy: 0.7729820152442952
Energy: 0.5613779682874585
Energy: 0.772982015244813
Energy: 0.5496466572270398
Energy: 0.6542542615952677
Energy: 0.69616199503596
Energy: 0.6542542746703492
Energy: 0.6440336385876924
Energy: 0.7005105581405272
Energy: 0.6201641766154955
Energy: 0.70051055814985
Energy: 0.5475760311831329
Energy: 0.7730076029888592
Energy: 0.70103292967691
Energy: 0.7730076009284342
Energy: 0.6950410876753838
Energy: 0.674521197588681
Energy: 0.6010917226950385
Energy: 0.6745211970513036

minimum gb energy = 0.5378710664989896 eV
minimum distance =  2.52615559119083 Angstroms
sigma value = 89


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

Energy: 0.4745901100445728
Energy: 0.52279565869313
Energy: 0.8148532238809683
Energy: 0.5227956586917749
Energy: 0.6632328348077731
Energy: 0.6560476796997209
Energy: 0.4972021757669257
Energy: 0.6560476796983657
Energy: 0.4953928381776372
Energy: 0.630760667717093
Energy: 0.7357493658106441
Energy: 0.630760667717093
Energy: 0.7558677911257596
Energy: 0.6462985108696563
Energy: 0.5986819279489468
Energy: 0.6462985105134146
Energy: 0.5974040893020266
Energy: 0.6133402969522012
Energy: 0.6061862289550316
Energy: 0.6133402969508461
Energy: 0.5158486111087648
Energy: 0.7189560831857533
Energy: 0.47865387399478143
Energy: 0.7189560831546152
Energy: 0.48911385283560205
Energy: 0.7184944763457038
Energy: 0.5323094715844221
Energy: 0.7184943948179712
Energy: 0.6330326282625591
Energy: 0.630775667134783
Energy: 0.5948649564146983
Energy: 0.630775667134783
Energy: 0.5981540330881868
Energy: 0.7031260393443924
Energy: 0.584524544245844
Energy: 0.7031260393443924
Energy: 0.7424419639545071
Energy: 0.6150678120448664
Energy: 0.6066627178182905
Energy: 0.6150678120448664
Energy: 0.49072408536572426
Energy: 0.5377037338448489
Energy: 0.5137640459378661
Energy: 0.5377037338448489
Energy: 0.50461923189087
Energy: 0.7732726368522105
Energy: 0.5007323322535312
Energy: 0.7732726368522105
Energy: 0.5954359310254808
Energy: 0.6160195731300245
Energy: 0.7821935466701923
Energy: 0.6160195731273141
Energy: 0.6136685508166946
Energy: 0.5290392103983063
Energy: 0.6066191211669767
Energy: 0.529039210396951
Energy: 0.4972286783030579
Energy: 0.6191544854538076
Energy: 0.5958253736617506
Energy: 0.6191544854538076

minimum gb energy = 0.4745901100445728 eV
minimum distance =  2.53931350694945 Angstroms
sigma value = 13


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

Energy: 0.4822502563283961
Energy: 0.645619066250949
Energy: 0.7811061442596937
Energy: 0.6456190662821891
Energy: 0.613068013992152
Energy: 0.7341144048452064
Energy: 0.4849154987885968
Energy: 0.7341144016595307
Energy: 0.4778743969122116
Energy: 0.6772646526416142
Energy: 0.6740143734860059
Energy: 0.6772646527120209
Energy: 0.728669174733122
Energy: 0.7513105518872841
Energy: 0.48223939402987115
Energy: 0.7513105518884202
Energy: 0.48675760807441315
Energy: 0.7022281639452257
Energy: 0.6061034136991831
Energy: 0.7022281637022233
Energy: 0.7835422281848702
Energy: 0.5898062736419136
Energy: 0.48612461290341097
Energy: 0.5898062734159255
Energy: 0.5417441330657287
Energy: 0.6990341710302993
Energy: 0.6091278126642778
Energy: 0.6990341718591977
Energy: 0.7005736847925663
Energy: 0.7568728691756657
Energy: 0.4829968779599068
Energy: 0.7568728691773695
Energy: 0.5261321260503795
Energy: 0.6911748776436768
Energy: 0.6924059664992344
Energy: 0.6911748623404904
Energy: 0.6753653296991897
Energy: 0.73198854049229
Energy: 0.4804178453006485
Energy: 0.731988540492858
Energy: 0.5770786362093325
Energy: 0.7147309860416469
Energy: 0.5212598732327648
Energy: 0.7147309864220545
Energy: 0.6796036240154295
Energy: 0.7628346979476509
Energy: 0.5823877832189339
Energy: 0.7628346979470828
Energy: 0.5025506034032575
Energy: 0.7427174157326686
Energy: 0.5342020169938827
Energy: 0.742717415762747
Energy: 0.6820717077689543
Energy: 0.7287016670832892
Energy: 0.531175336524142
Energy: 0.728701667051481
Energy: 0.49427555685624147
Energy: 0.751622625126137
Energy: 0.5841315335702106
Energy: 0.7516226249263029
Energy: 0.5045334042685262
Energy: 0.7055071408618862
Energy: 0.4992786744762807
Energy: 0.7055069461667572
Energy: 0.4971855599945371
Energy: 0.7074723820827163
Energy: 0.49816767901954695
Energy: 0.7074723820554779
Energy: 0.5157295172463969
Energy: 0.7060144916952364
Energy: 0.49672160445615926
Energy: 0.7060145124976557
Energy: 0.49201132319286617
Energy: 0.7370661187200108
Energy: 0.503031708740783
Energy: 0.7370661268978983
Energy: 0.5171863164882502
Energy: 0.7490999534636098
Energy: 0.5016201619864302
Energy: 0.7490999534545218
Energy: 0.517542332956339
Energy: 0.7189939634649306
Energy: 0.49866509177708396
Energy: 0.7189939631146272
Energy: 0.5366988128154964
Energy: 0.7190616918360533
Energy: 0.5029417039108065
Energy: 0.719052454594229
Energy: 0.5053186446243915
Energy: 0.6613305970064983
Energy: 0.5344577970455726
Energy: 0.680040839344908
Energy: 0.4916396748028899
Energy: 0.6650509906258381
Energy: 0.5311311942996003
Energy: 0.6650509533546369
Energy: 0.7506516301550232
Energy: 0.7400044835599403
Energy: 0.4948694727182762
Energy: 0.7400044834963756
Energy: 0.4878932269069545
Energy: 0.7319735334238807
Energy: 0.502319809553486
Energy: 0.7319735180338415
Energy: 0.6435977042558607
Energy: 0.7799235260299306
Energy: 0.5025808050960419
Energy: 0.7799235260287947
Energy: 0.484837703005112
Energy: 0.6738564050064427
Energy: 0.530062718365032
Energy: 0.6738565730473185
Energy: 0.6866168938354166
Energy: 0.7309377912413869
Energy: 0.4826532557908904
Energy: 0.730937791241955
Energy: 0.48924658238574975
Energy: 0.7490947524038378
Energy: 0.6991425040504976
Energy: 0.749094752402134
Energy: 0.7000902184534756
Energy: 0.7658417032012687
Energy: 0.48246054016834256
Energy: 0.7658417032007007
Energy: 0.5317902813292783
Energy: 0.782519574927749
Energy: 0.6290495619724662
Energy: 0.7825195749283171
Energy: 0.7801004231608607
Energy: 0.7120275672442287
Energy: 0.47944584726375344
Energy: 0.7120275672578608
Energy: 0.5004303245434532
Energy: 0.7557632402911634
Energy: 0.541714730323717
Energy: 0.7557632402917314
Energy: 0.7294552852155773
Energy: 0.7412840896823633
Energy: 0.4838110441743767
Energy: 0.7412840896812272

minimum gb energy = 0.4778743969122116 eV
minimum distance =  2.49481741212573 Angstroms
sigma value = 37


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

Energy: 0.5168261734651904
Energy: 0.6558505014532169
Energy: 0.7587596632512393
Energy: 0.6497365878008867
Energy: 0.5603417450393265
Energy: 0.5859186082321726
Energy: 0.4410210553040025
Energy: 0.585918592977555
Energy: 0.4986072453143245
Energy: 0.7449780539156606
Energy: 0.6986009501906005
Energy: 0.7449780539068656
Energy: 0.6871664161339589
Energy: 0.6483149416316457
Energy: 0.4453118862602236
Energy: 0.6483149416785305
Energy: 0.4399074895352972
Energy: 0.4423379660072733
Energy: 0.6212295109117836
Energy: 0.4423379660072733
Energy: 0.7692227940430335
Energy: 0.6532666620991591
Energy: 0.5011735107324085
Energy: 0.6532666622349275
Energy: 0.5148175238254813
Energy: 0.7056252482624682
Energy: 0.6152250981257851
Energy: 0.7134284859930127
Energy: 0.5235215089703935
Energy: 0.4425395422695562
Energy: 0.44438984316574637
Energy: 0.4425395422695562
Energy: 0.441843102699107
Energy: 0.6352861164414374
Energy: 0.5696097878670882
Energy: 0.6352769429993024
Energy: 0.6898172349940179
Energy: 0.7112116793110962
Energy: 0.5016740174686416
Energy: 0.7112116784456473
Energy: 0.5582107920244112
Energy: 0.7266158498993244
Energy: 0.5474156517843441
Energy: 0.7266158498993244
Energy: 0.6976863876718807
Energy: 0.6803909206371209
Energy: 0.44475410053510056
Energy: 0.6803909208383416
Energy: 0.5077251338651187
Energy: 0.6772216367118863
Energy: 0.5164781873837851
Energy: 0.677221690804944
Energy: 0.7880354259583339
Energy: 0.7026378902412174
Energy: 0.4620415774537791
Energy: 0.7026379345194349
Energy: 0.5220992903469968
Energy: 0.5398632316303094
Energy: 0.4648324213643518
Energy: 0.5398632316293321
Energy: 0.6577029447914038
Energy: 0.654836087805409
Energy: 0.45176621801378825
Energy: 0.6548360881316486
Energy: 0.5105644955004855
Energy: 0.7629883668082472
Energy: 0.5443750910281656
Energy: 0.7629883672302333
Energy: 0.5356009676806265
Energy: 0.7000752022501534
Energy: 0.566309059970462
Energy: 0.7000751757506295
Energy: 0.45683661257984126
Energy: 0.6131170903741151
Energy: 0.4620095748277852
Energy: 0.6131171891947168
Energy: 0.4724268725208127
Energy: 0.6999419327176751
Energy: 0.5151151543808787
Energy: 0.7050290036342988

minimum gb energy = 0.4399074895352972 eV
minimum distance =  2.55793798734706 Angstroms
sigma value = 25


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

Energy: 0.4710722446715656
Energy: 0.6358684329090906
Energy: 0.7128426649025705
Energy: 0.6358684327405173
Energy: 0.6250456929391336
Energy: 0.6156819221021096
Energy: 0.39666274856840944
Energy: 0.6156819278143516
Energy: 0.4510495187091157
Energy: 0.5995973116329941
Energy: 0.6779731901940643
Energy: 0.5995973116429144
Energy: 0.507003905652896
Energy: 0.5727037702567489
Energy: 0.39798889064387005
Energy: 0.5724176652804489
Energy: 0.4013917156200566
Energy: 0.6200695006978025
Energy: 0.5727133601706145
Energy: 0.6200695009365453
Energy: 0.7374280320620787
Energy: 0.6169372115513101
Energy: 0.40260138324584227
Energy: 0.616937211516971
Energy: 0.39736721912657225
Energy: 0.5251482990791053
Energy: 0.5059421565581023
Energy: 0.5159134940838341
Energy: 0.5722474223504248
Energy: 0.6436617721755415
Energy: 0.4548223925967741
Energy: 0.6436644867427512
Energy: 0.3960542966186817
Energy: 0.6504907058232843
Energy: 0.6917149405614312
Energy: 0.6504907062435731
Energy: 0.6040197509104887
Energy: 0.6098123160977128
Energy: 0.41349540207524205
Energy: 0.6098123161007651
Energy: 0.49900399728085654
Energy: 0.5180704654886009
Energy: 0.49419272467475195
Energy: 0.5180704523052314
Energy: 0.6318079923359442
Energy: 0.6561657551947863
Energy: 0.4558296883861921
Energy: 0.6561657383906284
Energy: 0.3988600955818367
Energy: 0.5756216702776312
Energy: 0.5656223738263298
Energy: 0.5756216702661849
Energy: 0.5357873851831582
Energy: 0.6402932730115267
Energy: 0.40267442728192027
Energy: 0.6402932733364638
Energy: 0.40245089718834903
Energy: 0.5711280203567294
Energy: 0.46227322732613196
Energy: 0.5711280203574924
Energy: 0.5856310661173441
Energy: 0.6704803004994253
Energy: 0.4789735009385777
Energy: 0.6704803002629718
Energy: 0.45217635969085
Energy: 0.5804573263221604
Energy: 0.5737167323574108
Energy: 0.5804573279147967
Energy: 0.5019757579599528
Energy: 0.6454690305967332
Energy: 0.39647210284373324
Energy: 0.6454690305967332
Energy: 0.47601214245450507
Energy: 0.6387601250835925
Energy: 0.4232407255115448
Energy: 0.638760308572314
Energy: 0.7013296200898482
Energy: 0.6776686440955998
Energy: 0.46080317329269815
Energy: 0.6776686433641096
Energy: 0.4560533098008178
Energy: 0.6623299680807653
Energy: 0.4321316927239789
Energy: 0.6623299684293236
Energy: 0.5700451488935742
Energy: 0.6088372642132021
Energy: 0.40088486453231276
Energy: 0.6068635913822179
Energy: 0.46300899054570865
Energy: 0.6584940129389342
Energy: 0.5314062319294652
Energy: 0.6584940129351188
Energy: 0.4762907343835844
Energy: 0.6530874674988347
Energy: 0.4008419071100426
Energy: 0.6530873977033437
Energy: 0.4856025975986561
Energy: 0.672952984175196
Energy: 0.5600709160303812
Energy: 0.6729529920803132
Energy: 0.4665826137828114
Energy: 0.593650708163035
Energy: 0.46034512786844184
Energy: 0.5936507048641316

minimum gb energy = 0.3960542966186817 eV
minimum distance =  2.48565809109401 Angstroms
sigma value = 41


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

Energy: 0.5429737805007576
Energy: 0.5442622278495507
Energy: 0.6996123660665411
Energy: 0.5442622290595617
Energy: 0.6827066205335162
Energy: 0.5410832141199011
Energy: 0.3602724401160321
Energy: 0.5410832141555608
Energy: 0.36632042439429036
Energy: 0.565901973827889
Energy: 0.6638965811302755
Energy: 0.5658957090200798
Energy: 0.6919381724648758
Energy: 0.5400967367475831
Energy: 0.3575127582920272
Energy: 0.5400967367482087
Energy: 0.3551653479183182
Energy: 0.5581529796834381
Energy: 0.4186466752111916
Energy: 0.5581502866308592
Energy: 0.4150319060258655
Energy: 0.5485216848914896
Energy: 0.36354498608722097
Energy: 0.5485216815897584
Energy: 0.3570232501587469
Energy: 0.6181584246723801
Energy: 0.4187196551496478
Energy: 0.6181590551252738
Energy: 0.545650272075364
Energy: 0.586784259355154
Energy: 0.355628430690221
Energy: 0.5867842586454018
Energy: 0.3617261341116676
Energy: 0.60037584159939
Energy: 0.5547205256156321
Energy: 0.6003758398065682
Energy: 0.7053468430065235
Energy: 0.5430420025972932
Energy: 0.36670114852060987
Energy: 0.5430420033308184
Energy: 0.3593191993201748
Energy: 0.5866749535552357
Energy: 0.6720282488805518
Energy: 0.5866749535539845
Energy: 0.5993514373581096
Energy: 0.6018357629243128
Energy: 0.541404190548654
Energy: 0.6019862579641739
Energy: 0.3590821040358289
Energy: 0.6336276629295027
Energy: 0.7441951830093023
Energy: 0.6336276629126397
Energy: 0.6191247049665181
Energy: 0.7205586866021378
Energy: 0.36677896177745534
Energy: 0.7205584873600883
Energy: 0.35726639753485023
Energy: 0.5913852710224714
Energy: 0.5004769714434336
Energy: 0.5913852703521041
Energy: 0.6240726057337459
Energy: 0.6007371190221832
Energy: 0.35563021855483795
Energy: 0.6007371190159273
Energy: 0.35886340614970097
Energy: 0.5767605026191286
Energy: 0.45290533127792876
Energy: 0.5767605026272331
Energy: 0.4819273160558453
Energy: 0.6303968814419328
Energy: 0.35748343154306583
Energy: 0.6303968821829654
Energy: 0.3570825889047419
Energy: 0.4749553525797391
Energy: 0.5528637134515225
Energy: 0.47492757672216324
Energy: 0.5197127253050858
Energy: 0.6007582823483418
Energy: 0.3643848567258382
Energy: 0.6007582823483418
Energy: 0.36811276307011503
Energy: 0.6819461247305324
Energy: 0.5481183888286707
Energy: 0.681946124270284
Energy: 0.6310817319321412
Energy: 0.6230034207288212
Energy: 0.3575502422667752
Energy: 0.6230034206375108
Energy: 0.5432975170093817
Energy: 0.588392802466493
Energy: 0.3849244332121798
Energy: 0.593949667143209
Energy: 0.5048708455902267
Energy: 0.5840907307208193
Energy: 0.4151408702222706
Energy: 0.584090730718317
Energy: 0.36815486442534795
Energy: 0.6298711525283647
Energy: 0.4094094317172514
Energy: 0.6298711522619695
Energy: 0.45223810610513476
Energy: 0.6773271729995219
Energy: 0.35761936628881275
Energy: 0.6773271448190412
Energy: 0.3571121408507185
Energy: 0.5915048047139669
Energy: 0.6219898510813467
Energy: 0.5915048047133413
Energy: 0.4523478518448909
Energy: 0.6720919915405064
Energy: 0.4092359908217139
Energy: 0.6720919896870292
Energy: 0.3589224680445372
Energy: 0.6390366968956557
Energy: 0.5358829943720288
Energy: 0.6390366968906509
Energy: 0.3994028036614062
Energy: 0.6628025692558756
Energy: 0.36221709375950895
Energy: 0.662802569598538
Energy: 0.36401928829112645
Energy: 0.6117077040726139
Energy: 0.4649635390442552
Energy: 0.606830678134809
Energy: 0.405701160171269
Energy: 0.5771289601180286
Energy: 0.3702652983417998
Energy: 0.5771289601180286

minimum gb energy = 0.3551653479183182 eV
minimum distance =  2.49395582817055 Angstroms
sigma value = 15


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

Energy: 0.5374594352926476
Energy: 0.6314105313179131
Energy: 0.6620336413528007
Energy: 0.6314102791530662
Energy: 0.6796178008097321
Energy: 0.5153208464398567
Energy: 0.3346909807524579
Energy: 0.5153216290661107
Energy: 0.3851264181618978
Energy: 0.5064831226295301
Energy: 0.586071402299729
Energy: 0.5064814460839429
Energy: 0.5828412982613217
Energy: 0.5630443518333378
Energy: 0.3347924955634457
Energy: 0.5630443515266251
Energy: 0.37667611784149274
Energy: 0.6400562989696869
Energy: 0.5207413475211333
Energy: 0.6400562986333438
Energy: 0.5032392623842311
Energy: 0.517207739217248
Energy: 0.33505645616321444
Energy: 0.5172077387605999
Energy: 0.3372904180964255
Energy: 0.5454228562183276
Energy: 0.4235135415792602
Energy: 0.5267167142868673
Energy: 0.4222814983086913
Energy: 0.4962081715141345
Energy: 0.33784867975164784
Energy: 0.496208165203303
Energy: 0.3739990907376039
Energy: 0.5766168485247102
Energy: 0.5377112794218392
Energy: 0.576616890491438
Energy: 0.7037995027493882
Energy: 0.5663494422577728
Energy: 0.37611932979597645
Energy: 0.5663493301112849
Energy: 0.3342688760564679
Energy: 0.5303306373852171
Energy: 0.5861511024741387
Energy: 0.5303306427313926
Energy: 0.5190179953784951
Energy: 0.5130735582118887
Energy: 0.38922540409015927
Energy: 0.51339488712529
Energy: 0.335455587249482
Energy: 0.5958140707061644
Energy: 0.766422534554645
Energy: 0.5958024182966987
Energy: 0.5113716112217371
Energy: 0.5976424419125413
Energy: 0.4951339213364842
Energy: 0.5976424430631232
Energy: 0.3343181680187804
Energy: 0.517189875171303
Energy: 0.6206968614103953
Energy: 0.5171921714489188
Energy: 0.5443959034200219
Energy: 0.5115284159346285
Energy: 0.38746777354218626
Energy: 0.5127462407032727
Energy: 0.3355370250495679
Energy: 0.5372792601132425
Energy: 0.613894335698107
Energy: 0.5372768471799911
Energy: 0.4444826768035556
Energy: 0.6003869247233424
Energy: 0.3744533121677795
Energy: 0.6003869278731934
Energy: 0.33532639094125927
Energy: 0.6624104875318693
Energy: 0.47769445343514355
Energy: 0.6624104875308093
Energy: 0.49128087893456274
Energy: 0.520051339888086
Energy: 0.3378237673727527
Energy: 0.5200513416203427
Energy: 0.3390430561632741
Energy: 0.5540432310173079
Energy: 0.46163129858279445
Energy: 0.5555819723700521
Energy: 0.5395768773837428
Energy: 0.5819232358491824
Energy: 0.3844281320314127
Energy: 0.5819232190981732
Energy: 0.3783830383556545
Energy: 0.5389108686831763
Energy: 0.5744944280821331
Energy: 0.5389109812863124
Energy: 0.6485323718084008
Energy: 0.5261353811849802
Energy: 0.3347787726706227
Energy: 0.5261353801800458
Energy: 0.38406969913955674
Energy: 0.5849467405311637
Energy: 0.734096933206918
Energy: 0.5849913204940587
Energy: 0.5579680119310626
Energy: 0.552222996362336
Energy: 0.3368446828422923
Energy: 0.5522229973900112
Energy: 0.5389160657072675
Energy: 0.5724190979131054
Energy: 0.353514181185572
Energy: 0.5724190984910703
Energy: 0.7471000288534392
Energy: 0.5200510515307158
Energy: 0.3346329475610694
Energy: 0.5200510548198547
Energy: 0.3868596394116084
Energy: 0.6429016492751615
Energy: 0.370552610410261
Energy: 0.6429016495071954
Energy: 0.5064735934074037
Energy: 0.545234457434468
Energy: 0.3838895613812112
Energy: 0.5453257442542622
Energy: 0.3741614557342524
Energy: 0.5747407037963584
Energy: 0.4412642284783995
Energy: 0.5747407036570223
Energy: 0.4831190248436908
Energy: 0.5502897431225163
Energy: 0.3362885429976715
Energy: 0.5502885231005514
Energy: 0.33896582010665144
Energy: 0.5801844562987469
Energy: 0.48329478674298226
Energy: 0.5801844442889195
Energy: 0.47565826656903754
Energy: 0.5251769654644869
Energy: 0.34090056810937486
Energy: 0.5251769647763348
Energy: 0.33124068372687554
Energy: 0.5702298005257087
Energy: 0.47675181886968626
Energy: 0.5702118234295672
Energy: 0.3978565998342682
Energy: 0.5656438529912127
Energy: 0.38292519410416004
Energy: 0.5656414609478565
Energy: 0.3355604526470171
Energy: 0.6233650880774344
Energy: 0.7087022194192074
Energy: 0.6233650881314922

minimum gb energy = 0.33124068372687554 eV
minimum distance =  2.48963969334272 Angstroms
sigma value = 85


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

Energy: 0.4511900234885373
Energy: 0.5542728910608847
Energy: 0.6361367180479148
Energy: 0.5542728914638313
Energy: 0.734743903789727
Energy: 0.539203522407109
Energy: 0.30379591595709526
Energy: 0.5392035218704668
Energy: 0.43116895754491624
Energy: 0.4408489029710963
Energy: 0.5878226296800669
Energy: 0.44084869488633976
Energy: 0.6662194610940504
Energy: 0.5106397672462256
Energy: 0.30362066045342406
Energy: 0.5106542105997193
Energy: 0.3162262269732351
Energy: 0.43248740043224276
Energy: 0.6554096388222307
Energy: 0.432487400351386
Energy: 0.40193782939849837
Energy: 0.49053541108671245
Energy: 0.30362331109529916
Energy: 0.4905345110367065
Energy: 0.3020918943491087
Energy: 0.44855328882428686
Energy: 0.35736901219650247
Energy: 0.44855328698190233
Energy: 0.434381521015779
Energy: 0.4824147571116983
Energy: 0.30366909508645445
Energy: 0.482692283653038
Energy: 0.30360550386323665
Energy: 0.44228947521001355
Energy: 0.42087635475655893
Energy: 0.44228946123364404
Energy: 0.3506255382864439
Energy: 0.6246351656990997
Energy: 0.30239271518393873
Energy: 0.6246351655203792
Energy: 0.3046090448009341
Energy: 0.5234503957457589
Energy: 0.4772665313473639
Energy: 0.5234498311299577
Energy: 0.49910295358646145
Energy: 0.48641019703660815
Energy: 0.31659004220917686
Energy: 0.4852418226686431
Energy: 0.303503600806512
Energy: 0.4350023360498024
Energy: 0.7085558336226628
Energy: 0.434998627939105
Energy: 0.6495717658751029
Energy: 0.43937579287539297
Energy: 0.433388183681234
Energy: 0.44040313698872957
Energy: 0.30473975189502334
Energy: 0.4709558373857432
Energy: 0.7356061500277161
Energy: 0.4709653920450102
Energy: 0.47122752955919467
Energy: 0.5546676767068761
Energy: 0.4470426022751719
Energy: 0.5546673008914781
Energy: 0.3034298781645676
Energy: 0.43938698878193355
Energy: 0.7511633484149698
Energy: 0.43938697258829257
Energy: 0.5462150038282926
Energy: 0.4410708165888914
Energy: 0.4322056798353587
Energy: 0.441070820254376
Energy: 0.30464575774728203
Energy: 0.47252260142598146
Energy: 0.6953334790274435
Energy: 0.4725226013974831
Energy: 0.5510887979169973
Energy: 0.5496629765624521
Energy: 0.31663814945247487
Energy: 0.5492385181215469
Energy: 0.3033848959376639
Energy: 0.43960167301416914
Energy: 0.40078871445855957
Energy: 0.4396049310242927
Energy: 0.4479094158349221
Energy: 0.4369690603805986
Energy: 0.3024636880459983
Energy: 0.4368897173402843
Energy: 0.30461448041766875
Energy: 0.5305541610003562
Energy: 0.37780510194995626
Energy: 0.530554161900415
Energy: 0.40256355863257876
Energy: 0.5289634629652316
Energy: 0.3038067166168383
Energy: 0.5289634627070124
Energy: 0.3033935812981637
Energy: 0.4501243648094464
Energy: 0.3699158513341336
Energy: 0.45012511374008657
Energy: 0.5949621501762229
Energy: 0.49150143990415124
Energy: 0.3300888992792089
Energy: 0.49150143982741046
Energy: 0.317484265379397
Energy: 0.5089430721218782
Energy: 0.49576907757757904
Energy: 0.5089430763984059
Energy: 0.4863782942889732
Energy: 0.5576830576145146
Energy: 0.30377877831983396
Energy: 0.5576830587658979
Energy: 0.4358132519109321
Energy: 0.4404920490745006
Energy: 0.6983711812693132
Energy: 0.4401690203858679
Energy: 0.6384009029651264
Energy: 0.47206151749438074
Energy: 0.30479432925109956
Energy: 0.47206169873781284
Energy: 0.4485851423256545
Energy: 0.6158807546900869
Energy: 0.340448695714431
Energy: 0.6158807546234584
Energy: 0.5740007848913866
Energy: 0.5556765739111363
Energy: 0.3038421565867707
Energy: 0.5556755010926546
Energy: 0.43549091844179233
Energy: 0.44083307369543717
Energy: 0.34821977626708167
Energy: 0.4406730793947372
Energy: 0.5536672271886572
Energy: 0.5230233384568808
Energy: 0.30483321618410014
Energy: 0.523023338361775
Energy: 0.3174633435401694
Energy: 0.5536236535497137
Energy: 0.5508155325571925
Energy: 0.5546936251804445
Energy: 0.37412629897414756
Energy: 0.6162048609795119
Energy: 0.30375792768198573
Energy: 0.6162048703710534
Energy: 0.30343175666362954
Energy: 0.4367750490134345
Energy: 0.4717962906068527
Energy: 0.45076873401710227
Energy: 0.37590940214180235
Energy: 0.4735266283833027
Energy: 0.3046367344628583
Energy: 0.4735266283731903
Energy: 0.3045142179828628
Energy: 0.5445753884868129
Energy: 0.40287652292060394
Energy: 0.5445754111986352
Energy: 0.3912786380240945
Energy: 0.5353611350949165
Energy: 0.3050204085264237
Energy: 0.5357065567617195
Energy: 0.3034861766059248
Energy: 0.49108755482138516
Energy: 0.5402320822719975
Energy: 0.49342264619084325
Energy: 0.3802959263366831
Energy: 0.47433980232455963
Energy: 0.3187229492755019
Energy: 0.4743398023397281
Energy: 0.3047407194345202
Energy: 0.5282082333861249
Energy: 0.5858769457070117
Energy: 0.528221365368161

minimum gb energy = 0.3020918943491087 eV
minimum distance =  2.49386168192372 Angstroms
sigma value = 113


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

Energy: 0.011682955069939277
Energy: 0.012316312812158494
Energy: 0.5700175329864566
Energy: 0.01231631281249222
Energy: 0.40963089245109774
Energy: 0.8691975418839147
Energy: 1.0200334537632951
Energy: 0.8691975418835615
Energy: 0.011682955069939277
Energy: 0.012316312812158494
Energy: 0.5700175329857695
Energy: 0.01231631281249222
Energy: 0.40963089245074435
Energy: 0.8691975418835615
Energy: 1.0200334537636484
Energy: 0.8691975418835615
Energy: 0.011682955069939277
Energy: 0.01231631281180514
Energy: 0.5700175329861228
Energy: 0.01231631281249222
Energy: 0.40963089245074435
Energy: 0.8691975418835615
Energy: 1.0200334537640021
Energy: 0.8691975418832081

minimum gb energy = 0.011682955069939277 eV
minimum distance =  2.81820837568994 Angstroms
sigma value = 1