Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973
cohesive_energy=4.450349963542659
mass=58.6934
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: 0.018159437403098944
Energy: 0.018664754918548614
Energy: 1.1752410216588154
Energy: 0.018664754918548614
Energy: 0.018664754918548614
Energy: 1.2953787456374732
Energy: 0.018664754918548614
Energy: 1.2953787456368482
Energy: 1.175241021657529
Energy: 0.018664754918548614
Energy: 0.018159437403098944
Energy: 0.018664754919173392
Energy: 0.018664754919173392
Energy: 1.2953787456355619
Energy: 0.018664754919173392
Energy: 1.2953787456374732

minimum gb energy = 0.018159437403098944 eV
minimum distance =  2.46557232726137 Angstroms
sigma value = 1


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

Energy: 1.4004662920021287
Energy: 1.443220027667753
Energy: 1.284048329044759
Energy: 1.4432200276685552
Energy: 1.312604432152293
Energy: 1.3971777355524682
Energy: 1.3175824820265278
Energy: 1.3971777355508634
Energy: 1.264390464024998
Energy: 1.4267098049345694
Energy: 1.2917391890671641
Energy: 1.4267098049337672
Energy: 1.2793549269438333
Energy: 1.3501106911571799
Energy: 1.280341520302521
Energy: 1.350110691157982
Energy: 1.2828383471377154
Energy: 1.448873182702087
Energy: 1.313887641875839
Energy: 1.4488731827028893
Energy: 1.2524124041121305
Energy: 1.4112048458246014
Energy: 1.2408082237100686
Energy: 1.411204845826206
Energy: 1.3138333814147178
Energy: 1.4223933352088038
Energy: 1.2543700941143148
Energy: 1.422393335209606
Energy: 1.1761442642627744
Energy: 1.4502319056673947
Energy: 1.2137953494487241
Energy: 1.45023190566579
Energy: 1.2801714832339655
Energy: 1.5999201034687924
Energy: 1.3214558550731017
Energy: 1.5999201034703971
Energy: 1.2243628574878886
Energy: 1.4253794364146135
Energy: 1.1595974279251533
Energy: 1.425379436413811
Energy: 1.3106346371534072
Energy: 1.3963832408664532
Energy: 1.2804600788375748
Energy: 1.3963832408656507
Energy: 1.266069564018392
Energy: 1.4493819433132074
Energy: 1.2474720000147752
Energy: 1.4493819433132074
Energy: 1.3157143930387927
Energy: 1.4204790143696493
Energy: 1.3139005706935425
Energy: 1.4204790143696493
Energy: 1.2950938731357156
Energy: 1.4289198069951943
Energy: 1.2597901215247198
Energy: 1.428919806994392
Energy: 1.2943903133013075
Energy: 1.44390478229885
Energy: 1.291918165222796
Energy: 1.4439047822996522
Energy: 1.2927633730921653
Energy: 1.4436445521471555
Energy: 1.3114383305506334
Energy: 1.443644552146353
Energy: 1.2921828048402944
Energy: 1.426899650473994
Energy: 1.2202856598561034
Energy: 1.426899650473994
Energy: 1.3175159305708553
Energy: 1.3793363299689971
Energy: 1.3129141527116788
Energy: 1.3793363299681949
Energy: 1.1983113022410086
Energy: 1.4491401127035164
Energy: 1.2459591740204254
Energy: 1.4491401127011099
Energy: 1.3359878802818963
Energy: 1.2970038241158608
Energy: 1.283252114916471
Energy: 1.297003824114256
Energy: 1.2288569498389366
Energy: 1.426669519070602
Energy: 1.190919931903235
Energy: 1.4266695190697998
Energy: 1.280408264573916
Energy: 1.3041439924099612
Energy: 1.2940543702991272
Energy: 1.304143992409159
Energy: 1.293288159788091
Energy: 1.4487696965839794
Energy: 1.2286782776673
Energy: 1.4487696965823746
Energy: 1.270510554717431
Energy: 1.422217925204626
Energy: 1.2526484426819886
Energy: 1.4222179252038238
Energy: 1.2545093773552936
Energy: 1.4008915999734575
Energy: 1.316547543191078
Energy: 1.4008915999758644
Energy: 1.281712691469564
Energy: 1.4500175091909004
Energy: 1.2453556631542786
Energy: 1.4500175091917027
Energy: 1.3033855760129152
Energy: 1.3745312788355817
Energy: 1.280118318522579
Energy: 1.3745312788347794
Energy: 1.235012621116292
Energy: 1.4225455036733765
Energy: 1.3687305375902343
Energy: 1.422545503674179
Energy: 1.3115085187353377
Energy: 1.3670835334670475
Energy: 1.2922852960037499
Energy: 1.3670835334670475
Energy: 1.318759127099755
Energy: 1.4448825670998504
Energy: 1.2714946745478697
Energy: 1.4448825671006527
Energy: 1.3067239510062256
Energy: 1.4283108901280046
Energy: 1.3157789346113138
Energy: 1.4283108901280046
Energy: 1.2714133361271895
Energy: 1.4220653212234395
Energy: 1.2957290235756698
Energy: 1.4220653212234395
Energy: 1.2827063816231992
Energy: 1.4552568440844182
Energy: 1.2825463834325967
Energy: 1.4552568440852207

minimum gb energy = 1.1595974279251533 eV
minimum distance =  2.18809092519006 Angstroms
sigma value = 1


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

Energy: 1.484474797697542
Energy: 1.537853436910573
Energy: 1.294299254271208
Energy: 1.5378534369169763
Energy: 1.355892772519159
Energy: 1.4715518203577544
Energy: 1.3720185914687542
Energy: 1.4715518203641578
Energy: 1.2971021774970353
Energy: 1.5399126307175144
Energy: 1.3595700879377852
Energy: 1.5399126307147701
Energy: 1.311367358754513
Energy: 1.334516211658487
Energy: 1.3032847048190404
Energy: 1.334516211658487
Energy: 1.311254518571021
Energy: 1.5060520028122255
Energy: 1.357933764974184
Energy: 1.5060520028131401
Energy: 1.3716939693397778
Energy: 1.5062622225558733
Energy: 1.2741002831193668
Energy: 1.5062622225549585
Energy: 1.3484683496554666
Energy: 1.3353176917938996
Energy: 1.3471131933982161
Energy: 1.33531769179207
Energy: 1.2111884940833335
Energy: 1.5403984291279516
Energy: 1.2741270398077302
Energy: 1.5403984291316108
Energy: 1.3255881076420788
Energy: 1.3752963356427594
Energy: 1.3949321658220835
Energy: 1.3752963356445893
Energy: 1.295105339910836
Energy: 1.5400064134520657
Energy: 1.2954193706469284
Energy: 1.540006413462128
Energy: 1.3482666998535437
Energy: 1.4474472546034238
Energy: 1.3806143690533565
Energy: 1.4474472546107418
Energy: 1.2691219066565431
Energy: 1.521562506441796
Energy: 1.34945121765098
Energy: 1.5215625064427103
Energy: 1.3691113224262228
Energy: 1.501690335949393
Energy: 1.3458132350027507
Energy: 1.501690335949393
Energy: 1.369077292280524
Energy: 1.501748875626977
Energy: 1.3583247026609988
Energy: 1.501748875623318
Energy: 1.2689999492572361
Energy: 1.5215879470183715
Energy: 1.355238363544335
Energy: 1.5215879470256481
Energy: 1.3482638941975857
Energy: 1.4475485453115302
Energy: 1.3466807690189364
Energy: 1.4475485453078714
Energy: 1.2950860657333383
Energy: 1.5399744536967273
Energy: 1.2953644779185471
Energy: 1.5399744536976419
Energy: 1.3255940913080224
Energy: 1.3754663137213987
Energy: 1.3949789735499392
Energy: 1.3754663137186547
Energy: 1.2111687103988613
Energy: 1.5403622603496572
Energy: 1.270375435972678
Energy: 1.5403622603560605
Energy: 1.3484623750900264
Energy: 1.335228524212337
Energy: 1.3033804112936644
Energy: 1.3352285242132516
Energy: 1.371770301988621
Energy: 1.506328570623035
Energy: 1.3331339767865595
Energy: 1.5063285706202905
Energy: 1.3113145150161787
Energy: 1.506241634710683
Energy: 1.3383322122597858
Energy: 1.5062416347070242
Energy: 1.311314556997519
Energy: 1.3344600611372304
Energy: 1.3470570855650719
Energy: 1.3344600611381452
Energy: 1.2972290264426516
Energy: 1.5399287094191914
Energy: 1.345612500958666
Energy: 1.5399287094146175
Energy: 1.3559816216291802
Energy: 1.4715276321986746
Energy: 1.3719858449993243
Energy: 1.4715276322023336
Energy: 1.4844747976966273
Energy: 1.537853436910573
Energy: 1.3825965079171374
Energy: 1.5378534369169763
Energy: 1.355892772520074
Energy: 1.4715518203577544
Energy: 1.3720185914687542
Energy: 1.4715518203641578
Energy: 1.297102177496121
Energy: 1.5399126307184292
Energy: 1.3494207943869732
Energy: 1.5399126307147701
Energy: 1.3113673587535983
Energy: 1.3345162116575722
Energy: 1.294419234097728
Energy: 1.3345162116575722

minimum gb energy = 1.2111687103988613 eV
minimum distance =  2.15798740606085 Angstroms
sigma value = 25


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

Energy: 1.5015405744858183
Energy: 1.60320873167026
Energy: 1.467448971872683
Energy: 1.603208731664943
Energy: 1.4658113591804611
Energy: 1.5020471699676818
Energy: 1.434430292838692
Energy: 1.5020471699687454
Energy: 1.3691968168538402
Energy: 1.659870215977343
Energy: 1.4311901120021684
Energy: 1.659870215980533
Energy: 1.407878531564203
Energy: 1.4170403015378532
Energy: 1.376565203919723
Energy: 1.4170403015389168
Energy: 1.4066262555497349
Energy: 1.6052290004931338
Energy: 1.4097315708029654
Energy: 1.6052290004910068
Energy: 1.4598781620144692
Energy: 1.6620101107647118
Energy: 1.4229829006038655
Energy: 1.6620101107636485
Energy: 1.4462294231537183
Energy: 1.44895999679628
Energy: 1.4101998796881787
Energy: 1.448959996795217
Energy: 1.4414102474280976
Energy: 1.6126088859139953
Energy: 1.337336893950261
Energy: 1.6126088859139953
Energy: 1.4092744267221893
Energy: 1.540333511459646
Energy: 1.4463566611020149
Energy: 1.5403335114607093
Energy: 1.449009342367692
Energy: 1.6620767586294791
Energy: 1.403083579017872
Energy: 1.6620767586305425
Energy: 1.423887989960925
Energy: 1.603140557194466
Energy: 1.4076158235919929
Energy: 1.603140557194466
Energy: 1.3989987149933718
Energy: 1.6012913680816643
Energy: 1.407729398595181
Energy: 1.6012913680827279
Energy: 1.4317481542485277
Energy: 1.6062593668651097
Energy: 1.3586755434401443
Energy: 1.6062593668661733
Energy: 1.4527345543095362
Energy: 1.4789938096335615
Energy: 1.4497931430262134
Energy: 1.4789938096335615
Energy: 1.3231531823669038
Energy: 1.6100957277699333
Energy: 1.3362529638636556
Energy: 1.6100957277699333
Energy: 1.4205011587569936
Energy: 1.5875171894603755
Energy: 1.4073188753931751
Energy: 1.5875171894571851
Energy: 1.2977174990327387
Energy: 1.6635252483258047
Energy: 1.2978632644756438
Energy: 1.6635252483258047
Energy: 1.3583032641120008
Energy: 1.5383682713292868
Energy: 1.4020455658638953
Energy: 1.5383682713282234
Energy: 1.4087248754595678
Energy: 1.6029308196348666
Energy: 1.3589841699612224
Energy: 1.60293081963593
Energy: 1.4472124624886655
Energy: 1.6617770994330325
Energy: 1.4282874242365045
Energy: 1.6617770994351595
Energy: 1.423038532739455
Energy: 1.495242360913534
Energy: 1.4300598509625118
Energy: 1.495242360913534
Energy: 1.4837197077712885
Energy: 1.6017456924158713
Energy: 1.4582307911798602
Energy: 1.6017456924148081
Energy: 1.4659110162334557
Energy: 1.5671195510829374
Energy: 1.4303146048942672
Energy: 1.567119551087191
Energy: 1.3679339894012181
Energy: 1.6594434783249588
Energy: 1.4492191875622455
Energy: 1.6594434783260221
Energy: 1.4051453310163897
Energy: 1.4177969928932068
Energy: 1.3773338207856218
Energy: 1.4177969928900165

minimum gb energy = 1.2977174990327387 eV
minimum distance =  2.16377020134771 Angstroms
sigma value = 9


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

Energy: 1.4998188439515765
Energy: 1.4994928293348624
Energy: 1.4811880912914208
Energy: 1.4994928293310565
Energy: 1.466821712954505
Energy: 1.6019641244283496
Energy: 1.4868270944196589
Energy: 1.6019641244270808
Energy: 1.4521506645540416
Energy: 1.507166457735328
Energy: 1.4680018786958642
Energy: 1.507166457735328
Energy: 1.5102521091132917
Energy: 1.491916216363164
Energy: 1.3927766935117543
Energy: 1.491916216363164
Energy: 1.5649996285504157
Energy: 1.6021442739152545
Energy: 1.4659582878382695
Energy: 1.6021442739152545
Energy: 1.3235114034350233
Energy: 1.5063183723790317
Energy: 1.5018962360651904
Energy: 1.5063183723790317
Energy: 1.499404114594882
Energy: 1.3931192043556917
Energy: 1.3938679794580437
Energy: 1.3931192043582288
Energy: 1.4383968106572942
Energy: 1.50644471099716
Energy: 1.3779288417343196
Energy: 1.5064447109946226
Energy: 1.4998027226291255
Energy: 1.6021808280215186
Energy: 1.4868261109877263
Energy: 1.6021808280227583
Energy: 1.5082373662231914
Energy: 1.49926540101141
Energy: 1.3929625432710975
Energy: 1.4992654010126785
Energy: 1.4136352602581064
Energy: 1.5905233535295284
Energy: 1.4679874949678084
Energy: 1.5905233535295284
Energy: 1.5089092873607683
Energy: 1.5809547634901289
Energy: 1.3931365554172561
Energy: 1.5809547634913976
Energy: 1.3233132395932286
Energy: 1.5069569669759066
Energy: 1.3544667567406634
Energy: 1.5069569669721012
Energy: 1.4929110627993971
Energy: 1.505660313332586
Energy: 1.5033308427998529
Energy: 1.5056603133351234
Energy: 1.3233140098893983
Energy: 1.5069628381023656
Energy: 1.438858669792988
Energy: 1.506962838101097
Energy: 1.5086593897171872
Energy: 1.5809059216942465
Energy: 1.3932548113190495
Energy: 1.580905921695515
Energy: 1.4137787268332027
Energy: 1.590502464860721
Energy: 1.4101793930231072
Energy: 1.5905024648619897
Energy: 1.508229730239665
Energy: 1.4992472217188562
Energy: 1.3928532083513674
Energy: 1.4992472217188562
Energy: 1.4999673941569651
Energy: 1.6021878725447722
Energy: 1.4276116414099127
Energy: 1.6021878725422352
Energy: 1.4383160635411603
Energy: 1.506428712031343
Energy: 1.3779441219774045
Energy: 1.5064287120301034
Energy: 1.4993999682639427
Energy: 1.3930954761496572
Energy: 1.393879273966324
Energy: 1.3930954761509258

minimum gb energy = 1.3233132395932286 eV
minimum distance =  2.28718613189878 Angstroms
sigma value = 25


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

Energy: 1.4430969276910106
Energy: 1.7812704290615413
Energy: 1.6396015220843816
Energy: 1.7812704290615413
Energy: 1.4086666056555692
Energy: 1.6111014475140806
Energy: 1.3792554741109362
Energy: 1.6111014475125116
Energy: 1.3792655704997012
Energy: 1.742751394390126
Energy: 1.3791470978810831
Energy: 1.742751394390126
Energy: 1.4417974648184237
Energy: 1.600669117762937
Energy: 1.5499280522675052
Energy: 1.600669117764506
Energy: 1.5489295267572005
Energy: 1.4074666608412103
Energy: 1.4502105006513373
Energy: 1.4074666608412103
Energy: 1.3794408230727533
Energy: 1.6474920105406636
Energy: 1.3794426835510678
Energy: 1.6474920105406636
Energy: 1.448788374972362
Energy: 1.6026796254255125
Energy: 1.3787166079775588
Energy: 1.6026796254255125
Energy: 1.5309786581922553
Energy: 1.611413933414771
Energy: 1.4430430192123525
Energy: 1.6114139334163398
Energy: 1.3792383896130522
Energy: 1.5156326056141582
Energy: 1.4095459987553491
Energy: 1.5156326056141582
Energy: 1.6147302953199607
Energy: 1.648539067188066
Energy: 1.3789611889818834
Energy: 1.648539067188066
Energy: 1.495606014110811
Energy: 1.7061849366530162
Energy: 1.6955091777197626
Energy: 1.7061849366545851
Energy: 1.3787262202869208
Energy: 1.5447489722015026
Energy: 1.6173512188497612
Energy: 1.5447489722015026
Energy: 1.5231773498759829
Energy: 1.5186701397913867
Energy: 1.3790340486730301
Energy: 1.5186701397913867
Energy: 1.3786965746608824
Energy: 1.489605159448499
Energy: 1.4417096500903874
Energy: 1.489605159448499
Energy: 1.5175622588523605
Energy: 1.6100961659637096
Energy: 1.5312959171663003
Energy: 1.610096165962141
Energy: 1.4078905263404216
Energy: 1.547347232434361
Energy: 1.3792082502168128
Energy: 1.5473472324327922
Energy: 1.3787411485784278
Energy: 1.5270828869322897
Energy: 1.6158094846906645
Energy: 1.5270828869322897

minimum gb energy = 1.3786965746608824 eV
minimum distance =  2.26927998019261 Angstroms
sigma value = 17


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

Energy: 1.5739458344596617
Energy: 1.5721537132104138
Energy: 1.7575008695998584
Energy: 1.5721537132095256
Energy: 1.611062847400991
Energy: 1.5335598963590522
Energy: 1.4269306980335494
Energy: 1.5335598963599408
Energy: 1.5844632155221272
Energy: 1.5558230831974464
Energy: 1.4264185853188651
Energy: 1.5558230831956696
Energy: 1.4287926846014554
Energy: 1.6929464668461014
Energy: 1.5319005388208597
Energy: 1.69294646684699
Energy: 1.6381560472226802
Energy: 1.5381807874471825
Energy: 1.5170076691185972
Energy: 1.5381807874471825
Energy: 1.4550348139712725
Energy: 1.5838772924873572
Energy: 1.5686003488537046
Energy: 1.5838772924873572
Energy: 1.4287796938031898
Energy: 1.5980987312227017
Energy: 1.5142051673307595
Energy: 1.5980987312227017
Energy: 1.5678004483491375
Energy: 1.5836768831467698
Energy: 1.4528046201025906
Energy: 1.5836768831458814
Energy: 1.4537562195379077
Energy: 1.5964260619177395
Energy: 1.622088637814224
Energy: 1.5964260619195165
Energy: 1.7208191151166434
Energy: 1.5523092778503964
Energy: 1.4277487454459008
Energy: 1.5523092778503964
Energy: 1.4329928282409963
Energy: 1.5990989066315489
Energy: 1.587096482740869
Energy: 1.5990989066306605
Energy: 1.453531294013222
Energy: 1.5953546120440854
Energy: 1.4526526102614499
Energy: 1.5953546120449735
Energy: 1.7132958783106773
Energy: 1.572649140990213
Energy: 1.5758217067714058
Energy: 1.572649140990213
Energy: 1.4268414649263497
Energy: 1.61502104390155
Energy: 1.6134384893281184
Energy: 1.6150210439024382
Energy: 1.5574920814659166
Energy: 1.5949467112114828
Energy: 1.455959783308225
Energy: 1.5949467112114828
Energy: 1.5846253001402284
Energy: 1.583373042265801
Energy: 1.5681614697408948
Energy: 1.583373042265801
Energy: 1.5144842963888894
Energy: 1.645855257074986
Energy: 1.7274539917059502
Energy: 1.6458552570740976
Energy: 1.559939227391509
Energy: 1.555585996084415
Energy: 1.4548551767912947
Energy: 1.555585996082638
Energy: 1.5010488875660404
Energy: 1.6498589176227263
Energy: 1.506482422584796
Energy: 1.6498589176227263
Energy: 1.5161369780933558
Energy: 1.6921854547539084
Energy: 1.4293720812199837
Energy: 1.6921854547530195
Energy: 1.498380618193453
Energy: 1.5816164502736598
Energy: 1.584236693839152
Energy: 1.5816164502727714
Energy: 1.5140183559894547
Energy: 1.6840417570041353
Energy: 1.7203608363381278
Energy: 1.6840417570041353
Energy: 1.5894791061249725
Energy: 1.6000640460995033
Energy: 1.426657727434572
Energy: 1.6000640460995033
Energy: 1.5386529598975833
Energy: 1.5973126859755324
Energy: 1.5982713011272238
Energy: 1.5973126859773095
Energy: 1.5384653550157454
Energy: 1.5552964792474362
Energy: 1.5969479736651735
Energy: 1.5552964792465476
Energy: 1.6706147445493562
Energy: 1.5956833318480785
Energy: 1.4282987811457206
Energy: 1.5956833318480785
Energy: 1.516498299416919
Energy: 1.6198608601561197
Energy: 1.7671397619148725
Energy: 1.6198608601561197
Energy: 1.5675690721119162
Energy: 1.5833226054767102
Energy: 1.585738352465229
Energy: 1.5833226054767102
Energy: 1.7270605431302803
Energy: 1.692105724130807
Energy: 1.429145262723306
Energy: 1.6921057241299189
Energy: 1.4523836303144246
Energy: 1.6479783387501383
Energy: 1.6988990705930864
Energy: 1.6479783387519154

minimum gb energy = 1.4264185853188651 eV
minimum distance =  2.13987692210802 Angstroms
sigma value = 53


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

Energy: 1.3775146934814562
Energy: 1.3769271026773222
Energy: 1.73519036432138
Energy: 1.3769271026793677
Energy: 1.6418522517871739
Energy: 1.5474703330892645
Energy: 1.52652551830281
Energy: 1.5474703330872188
Energy: 1.4062882987816243
Energy: 1.376936118034954
Energy: 1.3809836121003474
Energy: 1.3769361180308632
Energy: 1.4062288044106022
Energy: 1.3769184491176976
Energy: 1.380980477901707
Energy: 1.3769184491197428
Energy: 1.6418948647288576
Energy: 1.549290574856326
Energy: 1.5115999884741
Energy: 1.5492905748542807
Energy: 1.377514693479411
Energy: 1.3769271026773222
Energy: 1.7351903643193345
Energy: 1.3769271026793677
Energy: 1.6418522517851284
Energy: 1.5474703330892645
Energy: 1.577399066384184
Energy: 1.5474703330872188
Energy: 1.406288297601911
Energy: 1.3769361180329087
Energy: 1.497970383263214
Energy: 1.3769361180329087
Energy: 1.4062288060421737
Energy: 1.3769184491176976
Energy: 1.5241795512828897
Energy: 1.3769184491197428
Energy: 1.6418948647309028
Energy: 1.549290574856326
Energy: 1.4827741700906856
Energy: 1.5492905748542807
Energy: 1.3775146934814562
Energy: 1.3769271026773222
Energy: 1.795629398642167
Energy: 1.3769271026793677
Energy: 1.6418522517871739
Energy: 1.5474703330872188
Energy: 1.5773990663800928
Energy: 1.5474703330892645
Energy: 1.406288298534218
Energy: 1.376936118034954
Energy: 1.577176422486629
Energy: 1.3769361180308632

minimum gb energy = 1.3769184491176976 eV
minimum distance =  2.24881205214318 Angstroms
sigma value = 9


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

Energy: 1.4959872521800128
Energy: 1.6575504728453807
Energy: 1.8399403685222557
Energy: 1.6575504728446235
Energy: 1.7360196783796453
Energy: 1.573242765467143
Energy: 1.5067793437620194
Energy: 1.5732427654633578
Energy: 1.489004537100359
Energy: 1.4756746527492048
Energy: 1.48296355392352
Energy: 1.4756746527492048
Energy: 1.628592746156791
Energy: 1.733554625528802
Energy: 1.5058263009029262
Energy: 1.7335546255280447
Energy: 1.6524563796740261
Energy: 1.565450957643728
Energy: 1.5061648377254913
Energy: 1.5654509576444853
Energy: 1.475948394307424
Energy: 1.47465777948907
Energy: 1.6207404728388517
Energy: 1.47465777948907
Energy: 1.8581097717691155
Energy: 1.5587486213595514
Energy: 1.507420154547736
Energy: 1.5587486213565231
Energy: 1.5066199419907949
Energy: 1.7379700417002457
Energy: 1.6524876150966654
Energy: 1.7379700417010029
Energy: 1.4927361419349667
Energy: 1.748292312706083
Energy: 1.474533245386369
Energy: 1.748292312705326
Energy: 1.4976001964912982
Energy: 1.5709329518311828
Energy: 1.5086390911194236
Energy: 1.5709329518334538
Energy: 1.509199162958301
Energy: 1.7334567662200346
Energy: 1.8060800055208128
Energy: 1.7334567662177636
Energy: 1.6772089052951078
Energy: 1.6814008283143183
Energy: 1.498119236689521
Energy: 1.681400828313561
Energy: 1.4925002447327007
Energy: 1.5743406739519097
Energy: 1.7513366727729893
Energy: 1.5743406739526664
Energy: 1.6333129353846416
Energy: 1.657496962332131
Energy: 1.493427422132001
Energy: 1.657496962330617
Energy: 1.511126943058804
Energy: 1.6669320435823025
Energy: 1.6621775034874968
Energy: 1.6669320435815456
Energy: 1.4967511392549873
Energy: 1.746438472385236
Energy: 1.6264167911930065
Energy: 1.7464384723867503
Energy: 1.5934445087690452
Energy: 1.6667776791598348
Energy: 1.5110933939305262
Energy: 1.666777679162106
Energy: 1.5132005392877774
Energy: 1.5586043011908026
Energy: 1.6967189040824122
Energy: 1.5586043011908026
Energy: 1.6873314754544628
Energy: 1.5726079070556653
Energy: 1.4790492037693372
Energy: 1.5726079070556653
Energy: 1.4965161532580349
Energy: 1.592660069362532
Energy: 1.6182370567077735
Energy: 1.592660069362532
Energy: 1.6276061287565307
Energy: 1.7317542943597446
Energy: 1.6314101615092704
Energy: 1.7317542943597446
Energy: 1.6171947860139464
Energy: 1.6591866945594047
Energy: 1.5031872329424738
Energy: 1.6591866945601617
Energy: 1.4745848764240472
Energy: 1.6503859106946766
Energy: 1.492698541663923
Energy: 1.6503859106946766
Energy: 1.8393436482501644
Energy: 1.581271445674512
Energy: 1.5060635220430334
Energy: 1.581271445675269
Energy: 1.5071866403688492
Energy: 1.6967505095462179
Energy: 1.7801991112768178
Energy: 1.6967505095462179
Energy: 1.5566084519578407
Energy: 1.4754246292725228
Energy: 1.489488968307684
Energy: 1.475424629274794
Energy: 1.601663503967277
Energy: 1.672631369559704
Energy: 1.6276005840641614
Energy: 1.6726313695619752
Energy: 1.4940356310500464
Energy: 1.7351433765465525
Energy: 1.6282643329389348
Energy: 1.7351433765473097
Energy: 1.5476118752190857
Energy: 1.4749105135197347
Energy: 1.4884346646560584
Energy: 1.4749105135197347
Energy: 1.5068763428684029
Energy: 1.6970129974557735
Energy: 1.779648307074199
Energy: 1.6970129974572874
Energy: 1.7431213302268516
Energy: 1.5806557426118717
Energy: 1.5046186775207602
Energy: 1.5806557426118717
Energy: 1.4750156924207947
Energy: 1.560429299783698
Energy: 1.4896151028041171
Energy: 1.560429299783698
Energy: 1.507842054519852
Energy: 1.6544928919510744
Energy: 1.4892289727666022
Energy: 1.6544928919510744
Energy: 1.627466779555551
Energy: 1.7328166816505695
Energy: 1.628252454038447
Energy: 1.7328166816520838
Energy: 1.4948607695307499
Energy: 1.7262231634334382
Energy: 1.8600356291325542
Energy: 1.7262231634334382

minimum gb energy = 1.474533245386369 eV
minimum distance =  2.18235705018706 Angstroms
sigma value = 73


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

Energy: 1.474416347985217
Energy: 1.4740183234221125
Energy: 1.8089850262724978
Energy: 1.4740183234221125
Energy: 1.5965337258875079
Energy: 1.6215806032877715
Energy: 1.528223912714467
Energy: 1.6215806032877715
Energy: 1.52691200163171
Energy: 1.6272844034652627
Energy: 1.4854488611183532
Energy: 1.6272844034640617
Energy: 1.498448492395729
Energy: 1.6231000382239025
Energy: 1.5286766139117918
Energy: 1.6231000382239025
Energy: 1.4967058425049413
Energy: 1.5940673172126354
Energy: 1.526375639479757
Energy: 1.5940673172126354
Energy: 1.5373417531584712
Energy: 1.5169861293402098
Energy: 1.7680499832086212
Energy: 1.5169861293390088
Energy: 1.8585524028975846
Energy: 1.7886649748263859
Energy: 1.5294181368889557
Energy: 1.7886649748263859
Energy: 1.4986939089885174
Energy: 1.4737478741552277
Energy: 1.8007726177571162
Energy: 1.4737478741552277
Energy: 1.7702803717781503
Energy: 1.474388259982209
Energy: 1.4736863506731368
Energy: 1.47438825998341
Energy: 1.526921291339943
Energy: 1.6058061364723728
Energy: 1.5275982167407494
Energy: 1.6058061364723728
Energy: 1.496160553784533
Energy: 1.6286252500603386
Energy: 1.768464760141223
Energy: 1.6286252500603386
Energy: 1.6576051860073926
Energy: 1.6545792039540195
Energy: 1.501741006424328
Energy: 1.6545792039540195
Energy: 1.5371851909584056
Energy: 1.589324621657864
Energy: 1.6407579711053142
Energy: 1.589324621659065
Energy: 1.8260571824305634
Energy: 1.589693090712349
Energy: 1.5371761238155126
Energy: 1.589693090712349
Energy: 1.4874411487109993
Energy: 1.5783909270677645
Energy: 1.6854872475850617
Energy: 1.5783909270665635
Energy: 1.7816090092786516
Energy: 1.4740667907502896
Energy: 1.4988411721517232
Energy: 1.4740667907502896
Energy: 1.5283846345554994
Energy: 1.4738177301762285
Energy: 1.526880885848624
Energy: 1.4738177301762285
Energy: 1.4736559263422555
Energy: 1.4755056758046605
Energy: 1.537461266426962
Energy: 1.4755056758046605
Energy: 1.5018179557299776
Energy: 1.47388062060676
Energy: 1.4956314169638654
Energy: 1.47388062060676
Energy: 1.5283219080423478
Energy: 1.5778223210623827
Energy: 1.8571684407869482
Energy: 1.577822321063584
Energy: 1.7788748791431763
Energy: 1.5090920222494824
Energy: 1.53858879818398
Energy: 1.5090920222482813
Energy: 1.528414607384146
Energy: 1.5912720174161565
Energy: 1.6395823050091167
Energy: 1.5912720174161565

minimum gb energy = 1.4736559263422555 eV
minimum distance =  2.21197571958687 Angstroms
sigma value = 7


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

Energy: 1.5004212914509558
Energy: 1.4997701709922666
Energy: 1.7849331610539743
Energy: 1.4997701709956253
Energy: 1.8277574884330503
Energy: 1.5560234508868869
Energy: 1.528501114649341
Energy: 1.5560234508885855
Energy: 1.4937381145444477
Energy: 1.6988117122853754
Energy: 1.5245066604564081
Energy: 1.6988117122913209
Energy: 1.5505176881111289
Energy: 1.6049281807628193
Energy: 1.5449177742674463
Energy: 1.6049281807628193
Energy: 1.509444623330034
Energy: 1.595012628570921
Energy: 1.4963623100225913
Energy: 1.5950126285692223
Energy: 1.4983291829052432
Energy: 1.6193634344030503
Energy: 1.7402026104635626
Energy: 1.6193634344055985
Energy: 1.6712817925971555
Energy: 1.6974858478693586
Energy: 1.5500419248252373
Energy: 1.6974858478736052
Energy: 1.4982411894844139
Energy: 1.5008993921719327
Energy: 1.8026876495952917
Energy: 1.5008993921736313
Energy: 1.6725874356764934
Energy: 1.5883855003251024
Energy: 1.518963467963846
Energy: 1.5883855003234038
Energy: 1.5101124006156246
Energy: 1.6053962417116623
Energy: 1.6192668013607912
Energy: 1.6053962417184569
Energy: 1.5351767264231468
Energy: 1.7029584110856322
Energy: 1.5653900547886985
Energy: 1.702958411084783
Energy: 1.5010267609735457
Energy: 1.5926120052710122
Energy: 1.563229678347626
Energy: 1.5926120052701631
Energy: 1.4998765670881447
Energy: 1.5015696965712233
Energy: 1.5653748460570007
Energy: 1.5015696965729222
Energy: 1.5238327538547172
Energy: 1.4902432930840284
Energy: 1.5611189175287836
Energy: 1.490243293083179
Energy: 1.507212039723383
Energy: 1.7275202725034753
Energy: 1.7193091814506
Energy: 1.7275202725034753
Energy: 1.8410955596732301
Energy: 1.4895475376596585
Energy: 1.5147792686679797
Energy: 1.4895475376596585
Energy: 1.5308443370207776
Energy: 1.620752201229787
Energy: 1.7183384125344883
Energy: 1.620752201229787
Energy: 1.4977192072325294
Energy: 1.6986416200970316
Energy: 1.5626786109719095
Energy: 1.6986416200987302
Energy: 1.493511240416672
Energy: 1.6201706158274454
Energy: 1.5644777799699572
Energy: 1.6201706158215001
Energy: 1.5097239576143515
Energy: 1.5931953339695828
Energy: 1.5392397162209526
Energy: 1.5931953339653362
Energy: 1.5464832172169451
Energy: 1.7079343184565416
Energy: 1.518644050215283
Energy: 1.7079343184522948
Energy: 1.5114863589012622
Energy: 1.6989005536966488
Energy: 1.6448636036639874
Energy: 1.6989005536957995
Energy: 1.7791116683360515
Energy: 1.5906822786120711
Energy: 1.554794627922509
Energy: 1.5906822786146193
Energy: 1.5057967890213961
Energy: 1.5008163036431443
Energy: 1.7448763576049957
Energy: 1.50081630363635
Energy: 1.58632039241272
Energy: 1.5927439526122256
Energy: 1.5136307728013878
Energy: 1.5927439526130749
Energy: 1.550330789785541
Energy: 1.7013963185470269
Energy: 1.5375985013083302
Energy: 1.7013963185478764
Energy: 1.5103703181586938
Energy: 1.605238312982696
Energy: 1.5118577447283346
Energy: 1.6052383129843948
Energy: 1.5504381570111259
Energy: 1.6192752067357603
Energy: 1.544379391077011
Energy: 1.6192752067340617
Energy: 1.4929136451024505
Energy: 1.500680136410502
Energy: 1.6379845441041838
Energy: 1.500680136407105
Energy: 1.6855922428515653
Energy: 1.5549648549147321
Energy: 1.5283709095881757
Energy: 1.5549648549198278
Energy: 1.4929142685439705
Energy: 1.5008480281453522
Energy: 1.7565636154537259
Energy: 1.5008480281495986

minimum gb energy = 1.4895475376596585 eV
minimum distance =  2.19780332305342 Angstroms
sigma value = 29


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

Energy: 1.4320452743696988
Energy: 1.4278302961166673
Energy: 1.7648094828354801
Energy: 1.4278302961164042
Energy: 1.4365965461875558
Energy: 1.433184986762248
Energy: 1.5014171787254174
Energy: 1.4331849867628395
Energy: 1.4894560467080828
Energy: 1.5026691845982765
Energy: 1.3846779862284508
Energy: 1.5026691845977176
Energy: 1.4300298315417648
Energy: 1.386406168655634
Energy: 1.3804478510030878
Energy: 1.3864061686558968
Energy: 1.4321140563249275
Energy: 1.4840855336889176
Energy: 1.6401034703255344
Energy: 1.4840855336903642
Energy: 1.489307745417714
Energy: 1.5038187052090848
Energy: 1.489142527555944
Energy: 1.5038187052038583
Energy: 1.435909908319269
Energy: 1.484058372583607
Energy: 1.4321204364115767
Energy: 1.4840583725844616
Energy: 1.3806327779822956
Energy: 1.3864232623215285
Energy: 1.4300257988816594
Energy: 1.3864232623223829
Energy: 1.3853498406399036
Energy: 1.5026596030982051
Energy: 1.4894499529762426
Energy: 1.5026596030990926

minimum gb energy = 1.3804478510030878 eV
minimum distance =  2.26247097029369 Angstroms
sigma value = 5


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

Energy: 1.4216390478977823
Energy: 1.40448558915495
Energy: 1.6564260072949804
Energy: 1.40448558915495
Energy: 1.6117197481350312
Energy: 1.4888729144200037
Energy: 1.3848804250062292
Energy: 1.4888729144183992
Energy: 1.3741733097864763
Energy: 1.3962452431818275
Energy: 1.6402174381183354
Energy: 1.396245243185037
Energy: 1.3910861437777986
Energy: 1.4787529749276251
Energy: 1.3962315551101514
Energy: 1.4787529749252184
Energy: 1.3833241731536128
Energy: 1.4865605273460822
Energy: 1.6917418171919578
Energy: 1.4865605273468847
Energy: 1.4362636429659936
Energy: 1.407014731190639
Energy: 1.375907499875688
Energy: 1.4070147311930457
Energy: 1.3752698509054577
Energy: 1.4955155466465366
Energy: 1.3755733020393597
Energy: 1.4955155466433274
Energy: 1.3823669703355588
Energy: 1.408013284042964
Energy: 1.3847488362713305
Energy: 1.4080132840477775
Energy: 1.3893714365801084
Energy: 1.405467037009258
Energy: 1.3904390561316444
Energy: 1.4054670370108626
Energy: 1.395550068062855
Energy: 1.4886964144509043
Energy: 1.37668281636384
Energy: 1.4886964144517065
Energy: 1.3714786911679477
Energy: 1.407929795172056
Energy: 1.3768346058618948
Energy: 1.4079297951744627
Energy: 1.3737611901308073
Energy: 1.430316903231918
Energy: 1.5130391187419867
Energy: 1.43031690323272
Energy: 1.4599889632824754
Energy: 1.4062096210448314
Energy: 1.4096298675022012
Energy: 1.4062096210368085
Energy: 1.3829601632993354
Energy: 1.473574969214789
Energy: 1.4979190652402457
Energy: 1.473574969219603
Energy: 1.759362837070528
Energy: 1.4765487055696498
Energy: 1.376652842253117
Energy: 1.476548705578475
Energy: 1.3935431758973305
Energy: 1.3923925995022732
Energy: 1.589741532062714
Energy: 1.3923925995022732
Energy: 1.6053835097562257
Energy: 1.3805966020273843
Energy: 1.3918358053561695
Energy: 1.380596602029791
Energy: 1.3890977149457824
Energy: 1.4057605693600668
Energy: 1.548260433668624
Energy: 1.405760569358462
Energy: 1.3789221458715872
Energy: 1.497640570871451
Energy: 1.3787003000913751
Energy: 1.4976405708650327
Energy: 1.372767962365808
Energy: 1.4854389688196277
Energy: 1.396132866820219
Energy: 1.4854389688156162
Energy: 1.387799863654829
Energy: 1.4061490238957899
Energy: 1.3898646078989716
Energy: 1.4061490238917786
Energy: 1.4058403418601493
Energy: 1.4875105357837826
Energy: 1.3875272578176046
Energy: 1.487510535787794
Energy: 1.381688202949022
Energy: 1.4074129863155893
Energy: 1.3682615696110805
Energy: 1.407412986321205
Energy: 1.5126987990555578
Energy: 1.4184275217689473
Energy: 1.3736020123721084
Energy: 1.4184275217689473
Energy: 1.5171191445181185
Energy: 1.4017375772376903
Energy: 1.3868240134350733
Energy: 1.4017375772352834
Energy: 1.3914421667349652
Energy: 1.406164208431287
Energy: 1.3836941602842714
Energy: 1.4061642084272756
Energy: 1.375546452515075
Energy: 1.4677182677214589
Energy: 1.5214600477908378
Energy: 1.4677182677238658
Energy: 1.4113828895079654
Energy: 1.4883438558155175
Energy: 1.3915520970111412
Energy: 1.4883438558211337
Energy: 1.3743940465595978
Energy: 1.3806195648459114
Energy: 1.7350349733200168
Energy: 1.3806195648427022
Energy: 1.6101150136236633
Energy: 1.4053874506562514
Energy: 1.3880157580954293
Energy: 1.4053874506530422
Energy: 1.3765716942940904
Energy: 1.3967862638747806
Energy: 1.595758147912735
Energy: 1.3967862638771873
Energy: 1.6084892464600757
Energy: 1.4636003450705553
Energy: 1.37371913799642
Energy: 1.4636003450649393
Energy: 1.3977594117373797
Energy: 1.4799962041016905
Energy: 1.3677396549470313
Energy: 1.479996204106504

minimum gb energy = 1.3677396549470313 eV
minimum distance =  2.20467861252223 Angstroms
sigma value = 1


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

Energy: 1.3473914565036296
Energy: 1.346887727474477
Energy: 1.374296162089336
Energy: 1.3468877274733677
Energy: 1.4186380608304319
Energy: 1.373139727801662
Energy: 1.3353364777784715
Energy: 1.3731397278038802
Energy: 1.303804634052929
Energy: 1.347015619895767
Energy: 1.8040451855377357
Energy: 1.3470156199002041
Energy: 1.4022084581604324
Energy: 1.447320796340448
Energy: 1.318550096790789
Energy: 1.447320796340448
Energy: 1.3040940734123594
Energy: 1.4796057364135102
Energy: 1.5825136196223033
Energy: 1.4796057364112916
Energy: 1.3051136275061903
Energy: 1.3506015795083726
Energy: 1.3182932274282038
Energy: 1.350601579509482
Energy: 1.3041295908016584
Energy: 1.4800990280226953
Energy: 1.3367654922173935
Energy: 1.4800990280215858
Energy: 1.2989551945969944
Energy: 1.351019937300634
Energy: 1.3552761385624281
Energy: 1.3510199372984153
Energy: 1.3463581855902143
Energy: 1.3530329972680675
Energy: 1.3652522869740744
Energy: 1.353032997273614
Energy: 1.3463387643692428
Energy: 1.3530577021563324
Energy: 1.3546161450605008
Energy: 1.3530577021518955
Energy: 1.2987952345455511
Energy: 1.3512170496694258
Energy: 1.365196993758063
Energy: 1.3512170496683165
Energy: 1.299549277025415
Energy: 1.4800618461999586
Energy: 1.3196986919710896
Energy: 1.4800618462032866
Energy: 1.304911275932248
Energy: 1.3505352790013612
Energy: 1.318291424149771
Energy: 1.350535279000252
Energy: 1.3043051200669304
Energy: 1.479616766340804
Energy: 1.491411539341813
Energy: 1.4796167663396946
Energy: 1.4023779861042922
Energy: 1.4473264813619948
Energy: 1.3182750593603407
Energy: 1.4473264813642135
Energy: 1.3038070795210497
Energy: 1.3469679363432576
Energy: 1.424852353615043
Energy: 1.3469679363465854
Energy: 1.4188022902278443
Energy: 1.373124430262539
Energy: 1.335370922394506
Energy: 1.373124430262539
Energy: 1.3473914565036296
Energy: 1.3468877274733677
Energy: 1.6226353982459565
Energy: 1.3468877274733677
Energy: 1.4186380608337599
Energy: 1.373139727801662
Energy: 1.3353364777784715
Energy: 1.3731397278027713
Energy: 1.3038046340507103
Energy: 1.347015619895767
Energy: 1.8040451855366266
Energy: 1.3470156199002041
Energy: 1.4022084581582137
Energy: 1.4473207963393386
Energy: 1.3185500967930075
Energy: 1.4473207963415573
Energy: 1.3040940734112505
Energy: 1.4796057364124007
Energy: 1.5825136196234126
Energy: 1.4796057364112916
Energy: 1.3051136275040223
Energy: 1.350601579507263
Energy: 1.3182932274304224
Energy: 1.350601579510591
Energy: 1.3041295908016584
Energy: 1.4800990280226953
Energy: 1.3201556766761409
Energy: 1.4800990280215858

minimum gb energy = 1.2987952345455511 eV
minimum distance =  2.22443124162633 Angstroms
sigma value = 17


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

Energy: 1.3359060118402843
Energy: 1.335706826346485
Energy: 1.6402276620491392
Energy: 1.3357068263471708
Energy: 1.5486899516326222
Energy: 1.3253419461213551
Energy: 1.3098389571108642
Energy: 1.3253419461227263
Energy: 1.3060679697154978
Energy: 1.3195837021312633
Energy: 1.596754584055412
Energy: 1.3195837021312633
Energy: 1.3985746617597214
Energy: 1.296021004076595
Energy: 1.3041248351886159
Energy: 1.2960210040772806
Energy: 1.2956336030240965
Energy: 1.422221902283086
Energy: 1.6349911456890134
Energy: 1.4222219022824003
Energy: 1.295500614660307
Energy: 1.31428665356391
Energy: 1.3216681724334722
Energy: 1.3142866535666524
Energy: 1.329912319304488
Energy: 1.4017465891985905
Energy: 1.3198510610837042
Energy: 1.4017465891992762
Energy: 1.2912512405047205
Energy: 1.5977367978919257
Energy: 1.2988301330697338
Energy: 1.5977367978939827
Energy: 1.3332772650495355
Energy: 1.602970406018775
Energy: 1.3623975257072252
Energy: 1.6029704060194605
Energy: 1.3200242530553696
Energy: 1.4008577934473279
Energy: 1.3067218629078023
Energy: 1.4008577934493847
Energy: 1.3102794085542477
Energy: 1.3752486626878375
Energy: 1.3012408837882068
Energy: 1.3752486626892086
Energy: 1.2975179812878057
Energy: 1.4001386717372561
Energy: 1.2886501175365401
Energy: 1.4001386717379418
Energy: 1.293044271218744
Energy: 1.3882738502320326
Energy: 1.3082868677466064
Energy: 1.3882738502327183
Energy: 1.3162186140345216
Energy: 1.42159619697241
Energy: 1.334688972805411
Energy: 1.4215961969703532
Energy: 1.2980507492437894
Energy: 1.3063410258675505
Energy: 1.346914113502439
Energy: 1.3063410258661792
Energy: 1.3116411071641585
Energy: 1.3205689237084535
Energy: 1.6247047044059828
Energy: 1.3205689237091391
Energy: 1.3051287840741224
Energy: 1.3044416736848023
Energy: 1.3075073241217672
Energy: 1.304441673683431
Energy: 1.298601049346327
Energy: 1.4570241867615294
Energy: 1.3549931957618944
Energy: 1.4570241867587872
Energy: 1.4885148093292793
Energy: 1.4030435147979787
Energy: 1.3093372396502856
Energy: 1.4030435148014067
Energy: 1.316257007575094
Energy: 1.3202278282284234
Energy: 1.515513525399023
Energy: 1.3202278282284234
Energy: 1.5429568005058398
Energy: 1.31559878396726
Energy: 1.3276852671027741
Energy: 1.315598783967946
Energy: 1.3282997559371081
Energy: 1.457602328607858
Energy: 1.356811159360696
Energy: 1.457602328607858
Energy: 1.4895869429849942
Energy: 1.3123005257629068
Energy: 1.3181502865723365
Energy: 1.312300525760164
Energy: 1.3089673043069263
Energy: 1.4035438659482493
Energy: 1.4946660943930874
Energy: 1.4035438659482493
Energy: 1.3794012872036039
Energy: 1.336252232864451
Energy: 1.3009790104251873
Energy: 1.336252232864451
Energy: 1.3113817221797626
Energy: 1.4249750576958418
Energy: 1.304075312133079
Energy: 1.4249750576951559
Energy: 1.4810244354420847
Energy: 1.3911813913794884
Energy: 1.3035714725664855
Energy: 1.391181391380174
Energy: 1.3450408285841953
Energy: 1.4802847971997384
Energy: 1.3043659558053597
Energy: 1.480284797199053
Energy: 1.3344692324207261
Energy: 1.4211162218300661
Energy: 1.3212272779621739
Energy: 1.4211162218307518
Energy: 1.3238826013150244
Energy: 1.3913655583199456
Energy: 1.3365019391067343
Energy: 1.3913655583220026
Energy: 1.3037788815302749
Energy: 1.421006603869405
Energy: 1.3097603138340492
Energy: 1.421006603871462
Energy: 1.3052305769198855
Energy: 1.3714692338108787
Energy: 1.3073750291356578
Energy: 1.3714692338095076
Energy: 1.303630661302825
Energy: 1.4013650995548288
Energy: 1.505111357151684
Energy: 1.4013650995548288
Energy: 1.3671811258385123
Energy: 1.5019329888280157
Energy: 1.3227822482829747
Energy: 1.5019329888211597
Energy: 1.2979815619221522
Energy: 1.3370579068707964
Energy: 1.340991664135021
Energy: 1.3370579068721682
Energy: 1.3210301417459098
Energy: 1.4042676750419996
Energy: 1.327526271575991
Energy: 1.4042676750440561
Energy: 1.318167358739302
Energy: 1.314531842095196
Energy: 1.2994504450024693
Energy: 1.3145318420938248
Energy: 1.3547642802626685
Energy: 1.4245456490101782
Energy: 1.3124117556861594
Energy: 1.4245456490088069

minimum gb energy = 1.2886501175365401 eV
minimum distance =  2.21464856332239 Angstroms
sigma value = 89


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

Energy: 1.1851598410294537
Energy: 1.1851924535176557
Energy: 1.2472816597620537
Energy: 1.1851924535176557
Energy: 1.1851125915969174
Energy: 1.2251149759379791
Energy: 1.2040698402811396
Energy: 1.2251149759379791
Energy: 1.20118453877556
Energy: 1.4091745122595674
Energy: 1.9640856620285447
Energy: 1.4091745122595674
Energy: 1.2130360154656636
Energy: 1.225268901845633
Energy: 1.2038863847215049
Energy: 1.2252689018438392
Energy: 1.2004121416926554
Energy: 1.3114329564082787
Energy: 1.5920723502653573
Energy: 1.311432956410073
Energy: 1.200464012923771
Energy: 1.1862257549317974
Energy: 1.1890527340431873
Energy: 1.1862257549317974
Energy: 1.2016115406549523
Energy: 1.4088681603062922
Energy: 1.1848968669110438
Energy: 1.4088681603062922
Energy: 1.2020831760179287
Energy: 1.4085261653374919
Energy: 1.2040508775172287
Energy: 1.4085261653392858
Energy: 1.200483416171995
Energy: 1.3118291539506202
Energy: 1.212607233779935
Energy: 1.3118291539506202
Energy: 1.224665784763656
Energy: 1.3104391789569365
Energy: 1.2004105155476053
Energy: 1.3104391789641123
Energy: 1.1845742995705901
Energy: 1.2261514943541811
Energy: 1.2006865466469456
Energy: 1.2261514943541811
Energy: 1.1846065834080624
Energy: 1.410126973733712
Energy: 1.2040508113793278
Energy: 1.410126973733712
Energy: 1.2005086531244986
Energy: 1.1888649989926474
Energy: 1.1995474605071028
Energy: 1.1888649989926474
Energy: 1.2004328083611528
Energy: 1.3110289720514428
Energy: 1.2004783269788586
Energy: 1.3110289720514428
Energy: 1.183900418685104
Energy: 1.1889862424277873
Energy: 1.20052503421602
Energy: 1.1889862424277873

minimum gb energy = 1.183900418685104 eV
minimum distance =  2.23953395443044 Angstroms
sigma value = 13


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

Energy: 1.1821938880215104
Energy: 1.1428496466780378
Energy: 1.3343349216166196
Energy: 1.1428496466675109
Energy: 1.345570517340644
Energy: 1.171852572696075
Energy: 1.131190182122872
Energy: 1.171852572696075
Energy: 1.1445664611739852
Energy: 1.1432929765170994
Energy: 1.3677152075849797
Energy: 1.1432929765155955
Energy: 1.1689562139202239
Energy: 1.1716581579243877
Energy: 1.1292704858907703
Energy: 1.1716581579281473
Energy: 1.1505404336604852
Energy: 1.2347717295919542
Energy: 1.210783756199378
Energy: 1.23477172959421
Energy: 1.1574717037858686
Energy: 1.1717600375284745
Energy: 1.1538836084536532
Energy: 1.171760037532986
Energy: 1.1502603343420326
Energy: 1.238408172929171
Energy: 1.673698717822298
Energy: 1.2384081729299226
Energy: 1.1192669598121452
Energy: 1.1726162450562088
Energy: 1.154022986161635
Energy: 1.1726162450509454
Energy: 1.1503679213361948
Energy: 1.2381365740118724
Energy: 1.4221741822657117
Energy: 1.2381365740081127
Energy: 1.3573919515863755
Energy: 1.2599119377866381
Energy: 1.129702438298414
Energy: 1.259911937788142
Energy: 1.1504668780983307
Energy: 1.2607966745940486
Energy: 1.1573012727656726
Energy: 1.2607966745895371
Energy: 1.4982264614158696
Energy: 1.259635819930769
Energy: 1.137112298018488
Energy: 1.2596358199337765
Energy: 1.1942839928785065
Energy: 1.160643125269675
Energy: 1.1672498226394075
Energy: 1.1606431252726828
Energy: 1.5273951454692745
Energy: 1.260321043974184
Energy: 1.137111462052171
Energy: 1.260321043974184
Energy: 1.1507657934021553
Energy: 1.1420006149593585
Energy: 1.1673384707965997
Energy: 1.1420006149578548
Energy: 1.1327733485923341
Energy: 1.2602350910005844
Energy: 1.1266354554127491
Energy: 1.2602350909983286
Energy: 1.1460658514159887
Energy: 1.227201488742579
Energy: 1.1267306177293273
Energy: 1.2272014887463387
Energy: 1.1644271093858338
Energy: 1.234050710712889
Energy: 1.1501105305806187
Energy: 1.2340507107068734
Energy: 1.1461897695937115
Energy: 1.2352524590974787
Energy: 1.1498668625838586
Energy: 1.2352524591019902
Energy: 1.1462321612337596
Energy: 1.2349231020601923
Energy: 1.1499106819106395
Energy: 1.234923102062448
Energy: 1.1644267045486703
Energy: 1.2340463195782125
Energy: 1.150058907146081
Energy: 1.234046319576709
Energy: 1.1459935841855047
Energy: 1.2271687100620297
Energy: 1.1267375695522759
Energy: 1.2271687100703008
Energy: 1.1325022983548707
Energy: 1.2602344635023377
Energy: 1.1265920542427528
Energy: 1.2602344635030898
Energy: 1.1505891522325602
Energy: 1.142097622947263
Energy: 1.168062775859605
Energy: 1.142097622947263
Energy: 1.5273829749037011
Energy: 1.2603544356022582
Energy: 1.1374514771072337
Energy: 1.2603544356000025
Energy: 1.1894765122373494
Energy: 1.160788787589103
Energy: 1.1638620104239426
Energy: 1.1607887875845915
Energy: 1.498245480099402
Energy: 1.259762379839704
Energy: 1.1371677876986206
Energy: 1.2597623798457191
Energy: 1.1502445443593459
Energy: 1.2607651726541502
Energy: 1.1265359735898206
Energy: 1.2607651726488869
Energy: 1.3578735539983835
Energy: 1.2598495105382266
Energy: 1.1296860834458426
Energy: 1.2598495105246919
Energy: 1.1505523276714906
Energy: 1.237923669751583
Energy: 1.3290452886977697
Energy: 1.237923669759102
Energy: 1.119225913130627
Energy: 1.172652467464898
Energy: 1.153799757925606
Energy: 1.1726524674581307
Energy: 1.1507099876993938
Energy: 1.238500611798695
Energy: 1.519743982459475
Energy: 1.2385006118032065
Energy: 1.157278221319862
Energy: 1.1717447567312445
Energy: 1.1538686291268265
Energy: 1.17174475673726
Energy: 1.1506377451743428
Energy: 1.2345923205346456
Energy: 1.5004166063384883
Energy: 1.2345923205323899
Energy: 1.1686461165881286
Energy: 1.1718604786921774
Energy: 1.129312387231394
Energy: 1.1718604786959368

minimum gb energy = 1.119225913130627 eV
minimum distance =  2.25576194576211 Angstroms
sigma value = 37


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

Energy: 1.0870686702835495
Energy: 1.0860912143188794
Energy: 1.0591235012969167
Energy: 1.086091214320173
Energy: 1.1571033819142196
Energy: 1.380414783361227
Energy: 1.0352392864882742
Energy: 1.380414783361227
Energy: 1.0516899042617487
Energy: 1.4875077074154035
Energy: 1.7993422693291488
Energy: 1.4875077074154035
Energy: 1.0253955197900462
Energy: 1.3797424020878915
Energy: 1.0353939831032823
Energy: 1.379742402089185
Energy: 1.0335946893695431
Energy: 1.3794598981315285
Energy: 1.0252963245093036
Energy: 1.3794598981302348
Energy: 1.0381488367444072
Energy: 1.3796372980792861
Energy: 1.028632270481052
Energy: 1.3796372980792861
Energy: 1.068908211058748
Energy: 1.8314754197693643
Energy: 1.3538441564253647
Energy: 1.8314754197680707
Energy: 1.0331195078988185
Energy: 1.0871295571997472
Energy: 1.0869342919249882
Energy: 1.0871295571997472
Energy: 1.0336640349345902
Energy: 1.3796222211149598
Energy: 1.3547875904724747
Energy: 1.3796222211149598
Energy: 1.4206788595729047
Energy: 1.3788156138093899
Energy: 1.0288277306878773
Energy: 1.3788156138093899
Energy: 1.0690116498380047
Energy: 1.8236411294388781
Energy: 1.0252071221718881
Energy: 1.8236411294401718
Energy: 1.3999411145044065
Energy: 1.0856899573513255
Energy: 1.0352536001141353
Energy: 1.0856899573513255
Energy: 1.025008719529155
Energy: 1.3793574263084398
Energy: 1.0484822353708998
Energy: 1.3793574263084398
Energy: 1.3538902231380068
Energy: 1.8242723831721936
Energy: 1.0332118914797888
Energy: 1.8242723831734873
Energy: 1.0853208760612438
Energy: 1.1426735219384072
Energy: 1.0332681600291953
Energy: 1.1426735219384072
Energy: 1.0855793968843999
Energy: 1.3790663617191745
Energy: 1.0352545087678406
Energy: 1.3790663617204681
Energy: 1.0250073889778057
Energy: 1.3790526651182777
Energy: 1.0744242641282424
Energy: 1.3790526651182777
Energy: 1.0251666616926562
Energy: 1.8248314540152863
Energy: 1.0331347883709745
Energy: 1.8248314540165798
Energy: 1.0339434277479749
Energy: 1.0874613677276872
Energy: 1.033169540526722
Energy: 1.0874613677276872
Energy: 1.0332686034850886
Energy: 1.3790857721986325
Energy: 1.0250269150536073
Energy: 1.3790857721986325

minimum gb energy = 1.0250073889778057 eV
minimum distance =  2.16689470661183 Angstroms
sigma value = 25


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

Energy: 1.0092967806310775
Energy: 0.948735968438143
Energy: 1.4108048317781985
Energy: 0.948735968438143
Energy: 1.4329452464225443
Energy: 0.9740103036461122
Energy: 0.9500625427052373
Energy: 0.9740103036451021
Energy: 0.9448959857088047
Energy: 0.944564187089076
Energy: 1.2580197076196202
Energy: 0.9445641870900862
Energy: 1.1839945345000955
Energy: 1.19778482281584
Energy: 0.949919886083832
Energy: 1.19778482281584
Energy: 0.9519987226391418
Energy: 0.9737059300891341
Energy: 0.9144190490272764
Energy: 0.9737059300881237
Energy: 0.913612012632907
Energy: 1.197717360700044
Energy: 0.9499483995486571
Energy: 1.197717360700044
Energy: 0.9522835867038478
Energy: 0.9445203499610708
Energy: 1.1853504559021755
Energy: 0.9445203499610708
Energy: 0.9194479658931157
Energy: 1.0100841050122367
Energy: 0.9467981895164443
Energy: 1.0100841050122367
Energy: 0.9491898522196207
Energy: 0.9741079686901775
Energy: 1.3758602949101362
Energy: 0.9741079686891674
Energy: 0.9181928651965425
Energy: 0.9456411145905539
Energy: 1.011098879871589
Energy: 0.9456411145925743
Energy: 0.9522123653545406
Energy: 0.9446299866154072
Energy: 1.415713417170682
Energy: 0.9446299866164174
Energy: 1.2319669633232577
Energy: 1.4871559112088397
Energy: 0.9468712249133354
Energy: 1.4871559112098498
Energy: 0.9517721927009369
Energy: 0.9738484690309044
Energy: 1.1656187951786638
Energy: 0.973848469029894
Energy: 1.2275312766358741
Energy: 1.0530517511966897
Energy: 0.9501819456640022
Energy: 1.0530517511956796
Energy: 0.9524068204201429
Energy: 0.9444978718416132
Energy: 0.9133883761396544
Energy: 0.9444978718426235
Energy: 1.2140853048417022
Energy: 1.5763604011820054
Energy: 0.950152346414284
Energy: 1.5763604011820054
Energy: 0.9490711967437001
Energy: 1.0102265680598757
Energy: 0.9253818619881246
Energy: 1.0102265680598757
Energy: 1.1994349273991338
Energy: 0.9739266309096571
Energy: 0.9503428513251929
Energy: 0.9739266309106673
Energy: 1.0117190077458535
Energy: 0.9452671873618047
Energy: 0.9193211116287671
Energy: 0.9452671873638252
Energy: 1.4150289469861985
Energy: 1.3321055921575242
Energy: 0.9502122072089546
Energy: 1.3321055921595446
Energy: 0.9491847113875244
Energy: 1.353960903615725
Energy: 0.9196810486759582
Energy: 1.3539609036147147
Energy: 0.944504772962407
Energy: 0.9740583439513697
Energy: 0.9501168313193996
Energy: 0.9740583439513697
Energy: 0.9524261917524786
Energy: 1.0514576178642354
Energy: 1.2281160226315748
Energy: 1.0514576178642354
Energy: 0.9135481678637337
Energy: 1.6134673241640867
Energy: 0.9505708919879188
Energy: 1.6134673241650968
Energy: 0.9502467514400669
Energy: 1.3545309638737264
Energy: 1.2281675910831062
Energy: 1.3545309638737264
Energy: 0.918359490075648
Energy: 1.0104460988287174
Energy: 0.9443444704274767
Energy: 1.0104460988297275

minimum gb energy = 0.9133883761396544 eV
minimum distance =  2.26268367609447 Angstroms
sigma value = 41


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

Energy: 1.2536444007693854
Energy: 0.885807337329549
Energy: 1.2701780409974368
Energy: 0.8858073373303771
Energy: 1.5995199528124493
Energy: 0.8633764338112092
Energy: 0.8521030392417304
Energy: 0.8633764338120374
Energy: 0.8836272733314672
Energy: 0.8492904678780199
Energy: 1.138612586671788
Energy: 0.8492904678763635
Energy: 1.2334779299997622
Energy: 0.8640013876703829
Energy: 0.8519301430204592
Energy: 0.8640013876720393
Energy: 0.8465124022026461
Energy: 1.089018070917885
Energy: 0.9008731471151157
Energy: 1.0890180709162285
Energy: 1.0522213272086123
Energy: 0.8645208471393667
Energy: 0.8519241655679849
Energy: 0.8645208471385385
Energy: 0.85093914462283
Energy: 1.0529209822805758
Energy: 0.9029759203461255
Energy: 1.0529209822805758
Energy: 0.8289799557711693
Energy: 0.8836761664516596
Energy: 0.8476817030441182
Energy: 0.8836761664524878
Energy: 0.8548289131317085
Energy: 1.2222863543167113
Energy: 1.379349849919119
Energy: 1.222286354315055
Energy: 0.8280607092924916
Energy: 0.849288564618569
Energy: 0.8848871289219189
Energy: 0.849288564618569
Energy: 0.8509372108212877
Energy: 0.8637938710833587
Energy: 1.4157438597686631
Energy: 0.8637938710850152
Energy: 0.8327198700733434
Energy: 0.8859249482813536
Energy: 1.2544106009926852
Energy: 0.8859249482805254
Energy: 0.855142734490105
Energy: 1.221845045533099
Energy: 1.500959384385557
Energy: 1.221845045533099
Energy: 1.0962559076523894
Energy: 1.220606098712009
Energy: 0.8849424834600792
Energy: 1.2206060987103526
Energy: 0.8509964002399225
Energy: 0.8636716168716043
Energy: 1.2330709760906338
Energy: 0.8636716168716043
Energy: 1.0937328506169766
Energy: 1.068815695976737
Energy: 0.8476557348768257
Energy: 1.068815695977565
Energy: 0.8551416964038965
Energy: 1.2192859008407444
Energy: 1.1356689439873586
Energy: 1.2192859008415726
Energy: 1.090883864384229
Energy: 1.2203052682728928
Energy: 0.8521173718030002
Energy: 1.2203052682728928
Energy: 0.8510519675255285
Energy: 0.8835778485639346
Energy: 0.8290710253041953
Energy: 0.8835778485639346
Energy: 1.1003200134660969
Energy: 1.4055196542327815
Energy: 0.8547494054551144
Energy: 1.4055196542319532
Energy: 0.8881529343378248
Energy: 1.2192069019415686
Energy: 0.8290314018212593
Energy: 1.2192069019423968
Energy: 1.4161434415826941
Energy: 1.538963379100217
Energy: 0.8522097252182915
Energy: 1.5389633791010453
Energy: 1.256750878723347
Energy: 0.8832745530501223
Energy: 0.8326237226474306
Energy: 0.8832745530509505
Energy: 1.2542579309743285
Energy: 1.4039625750185551
Energy: 0.8547502053297242
Energy: 1.4039625750202116
Energy: 0.8880558487134338
Energy: 1.2197636679989625
Energy: 0.83374391951049
Energy: 1.2197636679981343
Energy: 1.2334528110686225
Energy: 1.5382359307219255
Energy: 0.8520519667500316
Energy: 1.5382359307210973
Energy: 0.8510507975035685
Energy: 0.8842705066012816
Energy: 1.0940216647580507
Energy: 0.8842705066004535
Energy: 0.8467755806534042
Energy: 1.2188764824578004
Energy: 0.8545736761227483
Energy: 1.218876482459457
Energy: 0.8552406797438363
Energy: 1.2199842007758521
Energy: 1.0908817414917065
Energy: 1.2199842007775086
Energy: 0.8289281076887088
Energy: 1.2705269716561507
Energy: 0.8557242857352267
Energy: 1.2705269716578071
Energy: 0.8586006274467799
Energy: 0.884385531089792
Energy: 1.1000707114164527
Energy: 0.884385531089792
Energy: 0.8329282780270867
Energy: 1.2192058725894803
Energy: 0.8929587951691084
Energy: 1.2192058725886525

minimum gb energy = 0.8280607092924916 eV
minimum distance =  2.23838590932572 Angstroms
sigma value = 15


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

Energy: 1.139597166699029
Energy: 0.8029847514935111
Energy: 0.770889773592187
Energy: 0.8029847514935111
Energy: 1.4153726138052258
Energy: 0.8016679523523483
Energy: 0.8002139879214429
Energy: 0.8016679523516469
Energy: 0.8314169547818021
Energy: 0.798233635006542
Energy: 1.0368401937569292
Energy: 0.7982336350044373
Energy: 1.2611828469654904
Energy: 0.802689881178829
Energy: 0.8001566906357865
Energy: 0.8026898811732164
Energy: 0.7967383181204394
Energy: 1.3838658422863366
Energy: 0.7642230277175929
Energy: 1.3838658422870382
Energy: 1.1026509268565987
Energy: 0.8000387614333304
Energy: 0.8000098247391919
Energy: 0.8000387614333304
Energy: 0.79917042983272
Energy: 0.9690539681213853
Energy: 0.8228455124879746
Energy: 0.9690539681185789
Energy: 0.953116998711796
Energy: 0.8148978272181229
Energy: 0.7999027439750932
Energy: 0.8148978272174214
Energy: 0.80215443421331
Energy: 1.390922731349549
Energy: 1.2488754290956168
Energy: 1.3909227313488475
Energy: 0.7628413541714519
Energy: 0.7997659637046861
Energy: 0.797219355390278
Energy: 0.7997659637018799
Energy: 0.799455736494116
Energy: 0.8003918862461467
Energy: 1.3171505085254893
Energy: 0.8003918862454452
Energy: 0.7630699501819839
Energy: 0.7983322395861459
Energy: 0.8322097987645288
Energy: 0.7983322395854443
Energy: 0.8022456502981455
Energy: 1.390264085875478
Energy: 1.495132750829495
Energy: 1.390264085875478
Energy: 0.7663901930839595
Energy: 0.8035289962180897
Energy: 1.1402493312877076
Energy: 0.803528996220896
Energy: 0.7993869809628994
Energy: 0.8017284209738005
Energy: 1.4154009348155066
Energy: 0.8017284209730989
Energy: 0.9891362623598705
Energy: 0.7982912632020972
Energy: 0.832032607913958
Energy: 0.7982912632049036
Energy: 0.8020998388916439
Energy: 1.389687430479269
Energy: 1.261097006477864
Energy: 1.3896874304806723
Energy: 0.9885949741980703
Energy: 1.381518822972689
Energy: 0.7972460558148498
Energy: 1.3815188229712856
Energy: 0.7993643481432308
Energy: 0.8000836627127976
Energy: 1.1021271531740269
Energy: 0.8000836627142008
Energy: 0.9866962576099332
Energy: 0.8002314155614071
Energy: 0.8001686209342856
Energy: 0.8002314155586007
Energy: 0.8020983525294478
Energy: 1.1284146858175799
Energy: 0.9332332541947549
Energy: 1.1284146858189832
Energy: 0.9924397851060285
Energy: 1.3864362530331533
Energy: 0.8053806824340874
Energy: 1.386436253035258
Energy: 0.7993437486540395
Energy: 0.8001456483637454
Energy: 0.7628527981777371
Energy: 0.8001456483644469
Energy: 1.3177740015884916
Energy: 0.7991978526804472
Energy: 0.8001603956950509
Energy: 0.7991978526797457
Energy: 0.8341689391193967
Energy: 1.1281693311445005
Energy: 0.7649006880352281
Energy: 1.1281693311430971
Energy: 1.280444817215449
Energy: 1.3881128908041183
Energy: 0.8054673399681389
Energy: 1.3881128908034164
Energy: 1.1419644503260231
Energy: 1.3784002713260888
Energy: 0.7665102953629526
Energy: 1.3784002713274919
Energy: 1.4276725283111469
Energy: 0.9584758975940528
Energy: 0.8000143878861135
Energy: 0.9584758975926497
Energy: 0.8343605513108141
Energy: 1.4099115708553214
Energy: 0.7672574656022301
Energy: 1.4099115708567245
Energy: 1.1150881098696752
Energy: 1.3876147303340425
Energy: 0.8056048757490175
Energy: 1.3876147303326396
Energy: 0.7994927559802056
Energy: 1.116463320354025
Energy: 0.9892483321168379
Energy: 1.116463320354025
Energy: 1.1020486971769128
Energy: 0.8005326896124252
Energy: 0.8000438124797298
Energy: 0.8005326896166345
Energy: 0.8021172673738272
Energy: 1.4101236583574348
Energy: 0.9863786339275904
Energy: 1.4101236583574348
Energy: 0.7741908644003263
Energy: 1.1281910900123693
Energy: 0.805576984425662
Energy: 1.1281910900158774
Energy: 0.7864241430136737
Energy: 1.1176655984445332
Energy: 0.9924883267201097
Energy: 1.1176655984494441
Energy: 0.7624356850998424
Energy: 0.8000595608242648
Energy: 0.8027777202741614
Energy: 0.8000595608263696
Energy: 0.8023384206318009
Energy: 1.4098845663423245
Energy: 1.3328718482343855
Energy: 1.4098845663409214

minimum gb energy = 0.7624356850998424 eV
minimum distance =  2.19463293724193 Angstroms
sigma value = 85


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

Energy: 1.0781449770226759
Energy: 1.2932337517681312
Energy: 0.7663438315019654
Energy: 1.2932337517681312
Energy: 1.5421558204659394
Energy: 0.7803921725392089
Energy: 0.7356864925061635
Energy: 0.7803921725392089
Energy: 1.0306183803692732
Energy: 0.7796537080243275
Energy: 1.0734704165174338
Energy: 0.7796537080243275
Energy: 1.2654466850861608
Energy: 0.7803400537396455
Energy: 0.7358322938777957
Energy: 0.7803400537408626
Energy: 0.778221119721136
Energy: 0.7335803168574224
Energy: 0.6855264007471105
Energy: 0.7335803168586394
Energy: 1.1233486955693903
Energy: 0.7807274968612723
Energy: 0.7355477161991069
Energy: 0.7807274968624892
Energy: 0.7321294848373093
Energy: 0.9279305985404778
Energy: 0.7867602444931895
Energy: 0.9279305985392607
Energy: 0.980533578555626
Energy: 0.7780419813687677
Energy: 0.7354294823944884
Energy: 0.7780419813699847
Energy: 0.734852793477251
Energy: 0.8816979251439058
Energy: 1.0401859060064187
Energy: 0.8816979251432974
Energy: 0.8523989623382006
Energy: 0.9281210520901015
Energy: 0.7329069872701673
Energy: 0.928121052089493
Energy: 0.7351696810412245
Energy: 0.7799447994416925
Energy: 1.183709964306686
Energy: 0.7799447994392585
Energy: 0.6856555750128114
Energy: 0.7778762709604168
Energy: 0.7789958234258588
Energy: 0.7778762709610253
Energy: 0.7350856842963285
Energy: 0.7537391290409451
Energy: 1.2957192459687454
Energy: 0.7537391290415536
Energy: 0.6855880254381647
Energy: 0.7796806890980631
Energy: 1.0312148259539753
Energy: 0.7796806890986715
Energy: 0.7353008052954708
Energy: 0.7805194707509252
Energy: 1.3948225874459277
Energy: 0.7805194707497083
Energy: 0.6880850893040863
Energy: 1.2937362683954905
Energy: 1.0788318034542674
Energy: 1.2937362683967077
Energy: 0.7349785727785382
Energy: 0.7536486470783752
Energy: 1.3946348165546398
Energy: 0.7536486470789837
Energy: 0.8836122886641455
Energy: 0.7797765578423194
Energy: 1.0312852715884095
Energy: 0.7797765578423194
Energy: 0.73529067512447
Energy: 0.7804227432090224
Energy: 1.2655373103684076
Energy: 0.7804227432084141
Energy: 0.881595556499767
Energy: 1.318779849104023
Energy: 0.778960911693312
Energy: 1.318779849104023
Energy: 0.7348771224949745
Energy: 0.7538689013779484
Energy: 1.1233746572245655
Energy: 0.7538689013779484
Energy: 0.8803502495889436
Energy: 0.7800045050369104
Energy: 0.7329449369914868
Energy: 0.7800045050661177
Energy: 0.7374101816941879
Energy: 0.7783662339259563
Energy: 0.9798567169665248
Energy: 0.7783662339265649
Energy: 0.8920628329578182
Energy: 1.315212254840233
Energy: 0.7354909955100941
Energy: 1.315212254839016
Energy: 0.7351407083837914
Energy: 0.7792987179178703
Energy: 0.8526317987804637
Energy: 0.7792987179178703
Energy: 1.1834288151238967
Energy: 1.03071508646248
Energy: 0.736436696002069
Energy: 1.0307150864618715
Energy: 0.780940586512274
Energy: 0.7780730255694535
Energy: 0.6855911194644169
Energy: 0.7780730255694535
Energy: 1.1858218343220845
Energy: 1.315916882909891
Energy: 0.7356481136658268
Energy: 1.3159168829104997
Energy: 1.0331764768817655
Energy: 0.9035777768783609
Energy: 0.6853123448698921
Energy: 0.903577776877144
Energy: 1.3948900964493636
Energy: 0.9037624371996398
Energy: 0.7365462133420271
Energy: 0.9037624371990314
Energy: 1.0806501273984672
Energy: 1.283533495671749
Energy: 0.6879670543302849
Energy: 1.283533495671749
Energy: 1.2977659451548458
Energy: 1.3088057173927812
Energy: 0.735713535018039
Energy: 1.3088057173933896
Energy: 1.03318389651455
Energy: 0.9036972619979093
Energy: 0.690657489328577
Energy: 0.903697261997301
Energy: 1.2653761469927631
Energy: 0.9041050458078954
Energy: 0.7363933039739553
Energy: 0.9041050458078954
Energy: 0.781191387687699
Energy: 1.308718351826654
Energy: 0.8813058059040109
Energy: 1.308718351826654
Energy: 0.9973779857118934
Energy: 1.309094861037314
Energy: 0.7356527210553413
Energy: 1.309094861037314
Energy: 0.7351138877868695
Energy: 1.031498336011279
Energy: 0.8803457718433861
Energy: 1.031498336011279
Energy: 0.9794259776038542
Energy: 0.7787586557599484
Energy: 0.7367784917620909
Energy: 0.7787586557599484
Energy: 0.735316027728846
Energy: 1.308396179302185
Energy: 0.8920461758146236
Energy: 1.308396179300968
Energy: 0.700721627919549
Energy: 1.2192814460254606
Energy: 0.7349862817346737
Energy: 1.2192814460260695
Energy: 0.7344485046057035
Energy: 0.9051382511146076
Energy: 1.1709817286419857
Energy: 0.9051382511139989
Energy: 0.6856335513980135
Energy: 0.7786155927335339
Energy: 0.7778758245826736
Energy: 0.778615592732317
Energy: 0.7355061255800103
Energy: 1.3082450143637718
Energy: 1.1857931695136215
Energy: 1.3082450143637718

minimum gb energy = 0.6853123448698921 eV
minimum distance =  2.19108041203766 Angstroms
sigma value = 113


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

Energy: 0.020536864049705245
Energy: 0.021694177297558397
Energy: 1.177292601037246
Energy: 0.021694177295271514
Energy: 1.1771049420839852
Energy: 0.4279916778236978
Energy: 0.4286514358484928
Energy: 0.4279916778236978
Energy: 0.020536864049705245
Energy: 0.021694177297558397
Energy: 1.1772926000415167
Energy: 0.021694177295739282
Energy: 1.1771049420835176
Energy: 0.42799167782416553
Energy: 0.428651435848025
Energy: 0.4279916778236978
Energy: 0.020536864049705245
Energy: 0.021694177297558397
Energy: 1.177292599926809
Energy: 0.021694177295739282
Energy: 1.1771049420839852
Energy: 0.42799167782416553
Energy: 0.428651435848025
Energy: 0.42799167782323

minimum gb energy = 0.020536864049705245 eV
minimum distance =  2.47852752393631 Angstroms
sigma value = 1