Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Au__MO_017524376569_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.056164935231209
cohesive_energy=3.8004338909439843
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.864281100211199e-20, 1.6092101894232597e-19, 2.1452664476269797e-19, 2.62213830097074e-19, 3.04448808345948e-19, 3.42330672680244e-19, 3.76466648044248e-19, 4.07282913422604e-19, 4.3511111937855e-19, 4.60215625056696e-19, 4.82814326479266e-19, 5.03097882665706e-19, 5.212457373990239e-19, 5.374773888780779e-19, 5.51985098298948e-19, 5.64717596009346e-19, 5.756188058270819e-19, 5.84796073586634e-19, 5.923743690654539e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.08849551392876e-19, 6.0816702414679195e-19, 6.059432029788e-19, 6.018768786817079e-19, 5.95604357159598e-19, 5.86686642014754e-19, 5.74595014957956e-19, 5.58699820572042e-19, 5.38238422779228e-19, 5.122126655365319e-19, 4.79329592300316e-19, 4.38049511325306e-19, 3.86478649830114e-19, 3.2220252762730196e-19, 2.4210491116374e-19, 1.421677016590194e-19, 1.7168123721627e-20, -1.396634995800774e-19, -3.3778850192285397e-19, -5.902979481477899e-19, -9.14751533945862e-19, -1.336083934272012e-18, -1.89039218869026e-18, -2.6317032954757196e-18, -3.6420999679414794e-18, -5.0516148617029795e-18, -7.07948982735678e-18, -1.010561696659062e-17, -1.484286875093646e-17, -2.2754272773731395e-17, -3.7211353412966994e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -6.54468499397482e-28 eV

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

Energy: 0.011641786639152989
Energy: 0.24717676853363038
Energy: 0.012661618638432823
Energy: 0.011813445809202492
Energy: 0.24740848612023278
Energy: 0.01197011813125021
Energy: 0.24717676853387952
Energy: 0.0700115841595882
Energy: 0.06991152459706594
Energy: 0.06989284464598138
Energy: 0.06984512896702103
Energy: 0.0699059009069376
Energy: 0.012661618638183724
Energy: 0.06991152459756414
Energy: 0.06990528118803958
Energy: 0.01250891998374014
Energy: 0.0698603777328161
Energy: 0.07070813721331055
Energy: 0.011813445809202492
Energy: 0.06989284464623048
Energy: 0.012508919983491042
Energy: 0.011879876168003133
Energy: 0.06985018472738672
Energy: 0.01205225560373623
Energy: 0.24740848612023278
Energy: 0.0698451289667719
Energy: 0.0698603777330652
Energy: 0.06985018472763581
Energy: 0.06984287008293119
Energy: 0.0697772935104497
Energy: 0.01197011813125021
Energy: 0.0699059009069376
Energy: 0.07070813721331055
Energy: 0.01205225560373623
Energy: 0.0697772935104497
Energy: 0.01206643515310867

minimum gb energy = 0.011641786639152989 eV
minimum distance =  2.8624181686633 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.7652698326385269
Energy: 0.547162273062676
Energy: 0.5551669151203964
Energy: 0.5189512699934771
Energy: 0.5380661127674912
Energy: 0.5671599958401957
Energy: 0.7102851597372585
Energy: 0.5512134612951238
Energy: 0.5231694510308394
Energy: 0.5040174139251974
Energy: 0.5508719208911406
Energy: 0.5405413439696192
Energy: 0.6399063793679968
Energy: 0.5379352141369397
Energy: 0.5378913110070561
Energy: 0.5340698261994447
Energy: 0.5494945513531564
Energy: 0.5358009120752777
Energy: 0.7792498203287491
Energy: 0.5162950823610766
Energy: 0.5469430086488948
Energy: 0.5249646784269437
Energy: 0.515560905840089
Energy: 0.5475704468407612
Energy: 0.7135416278720044
Energy: 0.5417170021572544
Energy: 0.5411323645442431
Energy: 0.4816034414962151
Energy: 0.5425771967829334
Energy: 0.5404203110846767
Energy: 0.7040798785398836
Energy: 0.5390762202862716
Energy: 0.5382671638900676
Energy: 0.5368846164741382
Energy: 0.537319196237241
Energy: 0.5398018956272849
Energy: 0.7032464673051119
Energy: 0.5042261954553083
Energy: 0.5040783360073277
Energy: 0.5336567650521447
Energy: 0.5073838009920473
Energy: 0.5303359411905055
Energy: 0.6716393305420821
Energy: 0.5366704933792203
Energy: 0.5353919319010948
Energy: 0.5084256784478278
Energy: 0.5312681692237315
Energy: 0.5038299359841326
Energy: 0.5878672108606907
Energy: 0.5349116591465627
Energy: 0.5279528043527241
Energy: 0.5395339533757872
Energy: 0.5369898277727199
Energy: 0.5370709797262098
Energy: 0.5870259513544602
Energy: 0.5340306018784362
Energy: 0.5353340192208454
Energy: 0.5303529059072725
Energy: 0.5294053619434217
Energy: 0.5387977188857904
Energy: 0.6403087280810732
Energy: 0.541799893264251
Energy: 0.5420568230874089
Energy: 0.5646585079545161
Energy: 0.5426488626078041
Energy: 0.5706316687898715
Energy: 0.5515729627206973
Energy: 0.5346256796569483
Energy: 0.5238586086786946
Energy: 0.5511145779986693
Energy: 0.5323752233279899
Energy: 0.5519856779889651
Energy: 0.5511434252747214
Energy: 0.5338045786153184
Energy: 0.532131427992
Energy: 0.5511610300943977
Energy: 0.5002142216228643
Energy: 0.5421049831165431
Energy: 0.5816969500133975
Energy: 0.5447439053925773
Energy: 0.5488385151102635
Energy: 0.5505647069752964
Energy: 0.5471428804899384
Energy: 0.5209840112955436
Energy: 0.5613128654060938
Energy: 0.5211799248663794
Energy: 0.5357611999582222
Energy: 0.5386812882062822
Energy: 0.5363607943830183
Energy: 0.5350521416487459
Energy: 0.5619091310376327
Energy: 0.5331252125139428
Energy: 0.5229063629028
Energy: 0.5517712899461349
Energy: 0.5363130836124266
Energy: 0.5487537052156201
Energy: 0.6416558032401333
Energy: 0.5350938688416362
Energy: 0.5352373901725225
Energy: 0.5294087292752464
Energy: 0.5351797710865568
Energy: 0.5359743663304561
Energy: 0.6378724666325675
Energy: 0.4820623831162188
Energy: 0.4889787542465862
Energy: 0.5346239490918611
Energy: 0.5084078302262668
Energy: 0.5342748458313283
Energy: 0.6395171463090366
Energy: 0.535350817620085
Energy: 0.5329130378711314
Energy: 0.5335500933703821
Energy: 0.5339287957316651
Energy: 0.5327046377934522
Energy: 0.6410807711795309
Energy: 0.5355202401256525
Energy: 0.5334477507291822
Energy: 0.4841969191400864
Energy: 0.53388831936247
Energy: 0.5333925607984669
Energy: 0.7414254855688442
Energy: 0.5171221227158641
Energy: 0.5325757758893958
Energy: 0.5384635481486306
Energy: 0.5283558209900139
Energy: 0.5325904499150016
Energy: 0.6037838054395073
Energy: 0.5503446259010251
Energy: 0.5488851653638922
Energy: 0.5320247467309847
Energy: 0.5486361779791412
Energy: 0.532389444375627
Energy: 0.7424322346297443
Energy: 0.5403379886502003
Energy: 0.5220624341244413
Energy: 0.4649567247835902
Energy: 0.5408372604288012
Energy: 0.5429163240012667

minimum gb energy = 0.4649567247835902 eV
minimum distance =  2.65819717560353 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.8325179853864811
Energy: 0.5570822928831599
Energy: 0.5640577516403811
Energy: 0.69045043211405
Energy: 0.5551618067923036
Energy: 0.5638046362825424
Energy: 0.6601871694524757
Energy: 0.5505113499143409
Energy: 0.550940833030708
Energy: 0.5423370450781495
Energy: 0.5505907079847792
Energy: 0.5492549032992853
Energy: 0.6494525205246621
Energy: 0.551131431000857
Energy: 0.5512294785233134
Energy: 0.5543204426884146
Energy: 0.551300677366455
Energy: 0.5331627321872969
Energy: 0.6984873329396176
Energy: 0.5469171353262162
Energy: 0.5475935686751777
Energy: 0.5482409567109526
Energy: 0.5471079322401028
Energy: 0.5474756961192592
Energy: 0.6569214894620217
Energy: 0.5512981184297675
Energy: 0.5529851487822653
Energy: 0.5442022811994387
Energy: 0.5512735495221027
Energy: 0.555569002676936
Energy: 0.7053166097981831
Energy: 0.5514242884319215
Energy: 0.55272573038487
Energy: 0.5432728769015892
Energy: 0.5514705280566446
Energy: 0.5502094530789203
Energy: 0.7039565304460226
Energy: 0.5520055962596669
Energy: 0.5350705028553487
Energy: 0.5450917851341249
Energy: 0.5535844787584028
Energy: 0.534157252176358
Energy: 0.66040008618037
Energy: 0.5355073291415771
Energy: 0.536146126053639
Energy: 0.5552149149308261
Energy: 0.5348775048410984
Energy: 0.5361654662292586
Energy: 0.583888744167453
Energy: 0.5379820622396506
Energy: 0.5336948639622758
Energy: 0.5504150025679214
Energy: 0.5346842210820008
Energy: 0.5545061549758826
Energy: 0.5831236606165537
Energy: 0.5390146606400973
Energy: 0.5382942109750903
Energy: 0.5515278201059995
Energy: 0.5381551011134775
Energy: 0.5327725068322229
Energy: 0.6124933262013674
Energy: 0.535300835454643
Energy: 0.5353357536786407
Energy: 0.5654988692735604
Energy: 0.5350745005338196
Energy: 0.5358263945127258
Energy: 0.5507062322477941
Energy: 0.537348945444119
Energy: 0.5492404708433255
Energy: 0.5507653166546049
Energy: 0.5373876987626095
Energy: 0.5505502930607165
Energy: 0.5512115853598781
Energy: 0.5462868293135944
Energy: 0.5340309567329609
Energy: 0.5512423623820881
Energy: 0.5403284427547331
Energy: 0.5529066566468751
Energy: 0.5593133661260646
Energy: 0.5407739604508032
Energy: 0.5432096896301718
Energy: 0.5545400966915353
Energy: 0.5426541367905862
Energy: 0.5623488012550646
Energy: 0.5824613475587314
Energy: 0.5391130693735505
Energy: 0.5372852734147272
Energy: 0.5525390536323938
Energy: 0.5398102624554498
Energy: 0.555746415252925
Energy: 0.5845891745207127
Energy: 0.5337746300822207
Energy: 0.5502364923606309
Energy: 0.5515146660820486
Energy: 0.543279978340969
Energy: 0.5523878230784283
Energy: 0.6605854579374335
Energy: 0.5333524981933895
Energy: 0.5356891655051385
Energy: 0.550441484356357
Energy: 0.5337040584128627
Energy: 0.5446228370754398
Energy: 0.6144415950025097
Energy: 0.5440034800309107
Energy: 0.5333819292531407
Energy: 0.5348560754840087
Energy: 0.5445589059176545
Energy: 0.5347892046412029
Energy: 0.6156168628337921
Energy: 0.5505056294692867
Energy: 0.5519128880619931
Energy: 0.5344151807072023
Energy: 0.5511622142473702
Energy: 0.5334378758043402
Energy: 0.6574752218136184
Energy: 0.5513447390748635
Energy: 0.5502424299442313
Energy: 0.53843201355825
Energy: 0.5513191117360164
Energy: 0.5371903590450683
Energy: 0.7871701901089245
Energy: 0.5450866038436417
Energy: 0.5403243366454585
Energy: 0.5352488553147046
Energy: 0.5583677777360979
Energy: 0.5351433555207846
Energy: 0.6139765040349585
Energy: 0.5506619716768201
Energy: 0.5368435549598923
Energy: 0.5369518219572978
Energy: 0.5507668251236838
Energy: 0.549537609930564
Energy: 0.6597464353025032
Energy: 0.5510417693432899
Energy: 0.5514666692919715
Energy: 0.5410018260406789
Energy: 0.5511092510846983
Energy: 0.5191212888910081
Energy: 0.7231941228993798
Energy: 0.5509107517624452
Energy: 0.5480708190044218
Energy: 0.5411680324083703
Energy: 0.5596571135319224
Energy: 0.5543890603094758
Energy: 0.6588558465385507
Energy: 0.552245443016271
Energy: 0.5505981778548826
Energy: 0.5415513399421567
Energy: 0.5540937331955655
Energy: 0.5330684706177232
Energy: 0.6570703946945298
Energy: 0.5494311222924709
Energy: 0.5512091534901936
Energy: 0.5418877978712097
Energy: 0.5501486602939138
Energy: 0.550543351732057
Energy: 0.7024401383897118
Energy: 0.5435346728305794
Energy: 0.5443090461951497
Energy: 0.5440959732902327
Energy: 0.5437416593483548
Energy: 0.5441644127045783
Energy: 0.6573739233801597
Energy: 0.5373950068437094
Energy: 0.5347450980333841
Energy: 0.5353443392328193
Energy: 0.5346816978381806
Energy: 0.5338099630538192
Energy: 0.582969847210314
Energy: 0.5353663879160169
Energy: 0.5349447191313442
Energy: 0.5518221448454379
Energy: 0.5346157780468934
Energy: 0.543737817959704
Energy: 0.5855682192531824
Energy: 0.5374098956682479
Energy: 0.5374138615009821
Energy: 0.5502211288629775
Energy: 0.5379001579582872
Energy: 0.5537438427834823
Energy: 0.6133324115343939
Energy: 0.5367330414499476
Energy: 0.534950240278116
Energy: 0.5489265353465048
Energy: 0.5353707879225962
Energy: 0.5403225975658988
Energy: 0.5506474010873406
Energy: 0.5372515251077556
Energy: 0.5466172011459007
Energy: 0.5506270206344822
Energy: 0.535291475227127
Energy: 0.5501265708689234
Energy: 0.5539276875865111
Energy: 0.5397142241266325
Energy: 0.5382307713094331
Energy: 0.5551150551839612
Energy: 0.5432177530629457
Energy: 0.5360254180582604
Energy: 0.5562591991270169
Energy: 0.5418290700662179
Energy: 0.5412015652481954
Energy: 0.5560603523169059
Energy: 0.5412702251215322
Energy: 0.556084438746567
Energy: 0.5828882274785764
Energy: 0.5459060329509292
Energy: 0.5404150563030492
Energy: 0.550199855449038
Energy: 0.5408996701416584
Energy: 0.5500434408204113
Energy: 0.5823828173625407
Energy: 0.5412725687167377
Energy: 0.5501651865421027
Energy: 0.5515845217772637
Energy: 0.5414469520178606
Energy: 0.5524231559716145
Energy: 0.5829687397151894
Energy: 0.5445204896995822
Energy: 0.5435811558146757
Energy: 0.5498082226640381
Energy: 0.543824038128739
Energy: 0.5437121926038905
Energy: 0.6163100311579514
Energy: 0.5348122247032376
Energy: 0.5349556053843189
Energy: 0.5344683437380952
Energy: 0.5336881472721459
Energy: 0.5485255311696197
Energy: 0.6137878232545964
Energy: 0.5507350277730108
Energy: 0.5434056263000376
Energy: 0.5348256796236486
Energy: 0.5512881461472768
Energy: 0.5354984359259966
Energy: 0.6563851519206741
Energy: 0.5498241078232885
Energy: 0.5528244041678507
Energy: 0.5446386546857922
Energy: 0.5499519288731393
Energy: 0.5372361458767069
Energy: 0.7866879883398016
Energy: 0.5540257106111021
Energy: 0.541212126959117
Energy: 0.5122556079224403
Energy: 0.5511794615696309
Energy: 0.5295898002850445

minimum gb energy = 0.5122556079224403 eV
minimum distance =  2.69881379300924 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.7954975923789954
Energy: 0.5479695952055282
Energy: 0.5341637631240646
Energy: 0.519744760792666
Energy: 0.547774356067425
Energy: 0.5906921605925592
Energy: 0.6301272141570292
Energy: 0.5624501711651962
Energy: 0.5676654431291572
Energy: 0.5063737182981876
Energy: 0.5624651808438558
Energy: 0.5343600037877735
Energy: 0.6686383533198192
Energy: 0.5618364611588421
Energy: 0.548213845427921
Energy: 0.5497971730293674
Energy: 0.5618446588831112
Energy: 0.5384237545029802
Energy: 0.7255243032682284
Energy: 0.5333973703690437
Energy: 0.5342839198993298
Energy: 0.5064291672603936
Energy: 0.5335425450583009
Energy: 0.5513674382712961
Energy: 0.6285605340176615
Energy: 0.5617892548303663
Energy: 0.5625350111594449
Energy: 0.5560044393305384
Energy: 0.561738424161857
Energy: 0.5544846712248994
Energy: 0.6281790674547476
Energy: 0.5605350492136052
Energy: 0.5597622425862524
Energy: 0.5606358945032781
Energy: 0.5603705964392619
Energy: 0.5630214435373063
Energy: 0.6285173352750059
Energy: 0.5549221618797069
Energy: 0.5558091663439431
Energy: 0.5630089360898389
Energy: 0.5080457311825348
Energy: 0.5623349501109395
Energy: 0.6488901715985798
Energy: 0.5152213337193964
Energy: 0.5334282567539712
Energy: 0.533511427599521
Energy: 0.5152323414843681
Energy: 0.5327850754623702
Energy: 0.5629150839683992
Energy: 0.5137093476442786
Energy: 0.5136064829423456
Energy: 0.5629473992511024
Energy: 0.5254352760502506
Energy: 0.5578622526309586
Energy: 0.5632030124981224
Energy: 0.5061820583146166
Energy: 0.5329558287967121
Energy: 0.5630249505691228
Energy: 0.5061800137661385
Energy: 0.5452075636384632
Energy: 0.6247369957880372
Energy: 0.5320204220397654
Energy: 0.5321336182134718
Energy: 0.5636309235267581
Energy: 0.5319121006602339
Energy: 0.5477187076348635
Energy: 0.5813719977540177
Energy: 0.5059527598248528
Energy: 0.5565945887801166
Energy: 0.5489189277158916
Energy: 0.548697396877307
Energy: 0.5433781534328425
Energy: 0.5785761130273794
Energy: 0.549519642283783
Energy: 0.5488989304852829
Energy: 0.5650269436648044
Energy: 0.53973508171274
Energy: 0.5666802180970656
Energy: 0.5805483142062443
Energy: 0.535567903639338
Energy: 0.5346424260673869
Energy: 0.5659711213996039
Energy: 0.509272880343188
Energy: 0.5115152404634352
Energy: 0.6579096662166519
Energy: 0.5138370028968201
Energy: 0.5143552180450368
Energy: 0.5482001040965195
Energy: 0.4944679754141308
Energy: 0.5132969538148642
Energy: 0.6574879316833319
Energy: 0.5665567698072375
Energy: 0.5562040107016711
Energy: 0.4963298300107533
Energy: 0.566602734501353
Energy: 0.5524130522373342
Energy: 0.6728672176633531
Energy: 0.5667003327931462
Energy: 0.5661934171367743
Energy: 0.5438412044978455
Energy: 0.5689993522273662
Energy: 0.54961792964421
Energy: 0.7927822020654787
Energy: 0.5554936616899847
Energy: 0.5334266599366075
Energy: 0.4751979447966373
Energy: 0.5485845484757237
Energy: 0.5332740348805598

minimum gb energy = 0.4751979447966373 eV
minimum distance =  2.69658090784387 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.669230830897905
Energy: 0.5403217171945597
Energy: 0.5582271269988743
Energy: 0.5594691068368035
Energy: 0.5423635288636536
Energy: 0.5590583461147879
Energy: 0.608529394047758
Energy: 0.5407541565452466
Energy: 0.542316923491655
Energy: 0.5395694894614703
Energy: 0.5405536577699931
Energy: 0.5427587453015936
Energy: 0.6066149826709631
Energy: 0.5407716561249022
Energy: 0.5419411793924822
Energy: 0.5501179040990465
Energy: 0.5429006720133851
Energy: 0.5415445152597154
Energy: 0.5934762967172772
Energy: 0.5412153777390328
Energy: 0.5411364045272589
Energy: 0.5368715828413887
Energy: 0.531542362489463
Energy: 0.5312017802385071
Energy: 0.5858680644901403
Energy: 0.5409409881051137
Energy: 0.540458029158775
Energy: 0.5249841300689396
Energy: 0.5408230984471447
Energy: 0.5585367488567576
Energy: 0.6065159233163893
Energy: 0.5182729339125197
Energy: 0.5607182652561898
Energy: 0.5514134867478687
Energy: 0.5180133594658759
Energy: 0.5610781108188135
Energy: 0.6062779812820523
Energy: 0.5613999779710616
Energy: 0.549283611336218
Energy: 0.552443649002185
Energy: 0.5258680894308672
Energy: 0.5496349998119779
Energy: 0.5910098743862455
Energy: 0.5021929272820446
Energy: 0.5027760391302865
Energy: 0.5927250110340962
Energy: 0.5028025622126903
Energy: 0.5104945155253935
Energy: 0.5418110722192617
Energy: 0.5019368776644301
Energy: 0.5027379438017909
Energy: 0.5419700774087262
Energy: 0.5019414094881557
Energy: 0.5105275797102594
Energy: 0.541453999817359
Energy: 0.5408727950434722
Energy: 0.5409799160008123
Energy: 0.5408701641357659
Energy: 0.548805230121646
Energy: 0.5405920017061427
Energy: 0.539039688938888
Energy: 0.5464977450108798
Energy: 0.5460039982019266
Energy: 0.5393103406727819
Energy: 0.5474124480207372
Energy: 0.5262582503849895
Energy: 0.6085091419410159
Energy: 0.5600487843851537
Energy: 0.562321670883023
Energy: 0.5414000928999239
Energy: 0.5520974682916724
Energy: 0.5413685327315161
Energy: 0.5168834382021716
Energy: 0.5500768624023791
Energy: 0.5599665679319048
Energy: 0.5180774730970636
Energy: 0.550900010274098
Energy: 0.5615702605484236
Energy: 0.6103091381091668
Energy: 0.5587372833818601
Energy: 0.5583119118110643
Energy: 0.540482519898545
Energy: 0.5612517089760294
Energy: 0.5589902913129311
Energy: 0.6720762801564242
Energy: 0.5439394845645149
Energy: 0.5313172300973626
Energy: 0.5023965107830934
Energy: 0.5410236355402764
Energy: 0.5108658314197274
Energy: 0.6723587363604647
Energy: 0.5408086940007601
Energy: 0.5108580300732265
Energy: 0.5019791398901173
Energy: 0.541131983721465
Energy: 0.5030056714859873
Energy: 0.5885028781475715
Energy: 0.5406706743150493
Energy: 0.5406726095781099
Energy: 0.5350613383414503
Energy: 0.5393725585230922
Energy: 0.5415544536959916
Energy: 0.5905556258248127
Energy: 0.5437023490372193
Energy: 0.5417712017860811
Energy: 0.5345362896096989
Energy: 0.5434406478347265
Energy: 0.5415231028282779
Energy: 0.590148659049858
Energy: 0.5415724505457342
Energy: 0.5412909922787338
Energy: 0.5356031257780468
Energy: 0.5410173988277943
Energy: 0.5418964553869978
Energy: 0.6101179719906915
Energy: 0.5178815276173608
Energy: 0.5508018902630187
Energy: 0.5500894125886155
Energy: 0.5176863830574585
Energy: 0.557338304754102
Energy: 0.6025707729811324
Energy: 0.550357932342543
Energy: 0.5556427359058229
Energy: 0.5617804878506232
Energy: 0.5399017605326111
Energy: 0.5582413984973735
Energy: 0.6068453989833116
Energy: 0.5260388765560001
Energy: 0.5600511011602678
Energy: 0.5404009769345246
Energy: 0.5258978299733983
Energy: 0.5602302601254318
Energy: 0.5901282850788835
Energy: 0.5588702673322598
Energy: 0.5579944811279709
Energy: 0.5902179053864369
Energy: 0.5588159112024155
Energy: 0.5013961846127357
Energy: 0.5401948619452025
Energy: 0.5443096041683221
Energy: 0.5422544473744715
Energy: 0.5404281701510296
Energy: 0.5268014086849363
Energy: 0.5419013004592099
Energy: 0.5409213377546189
Energy: 0.5195893121265175
Energy: 0.5411957569059485
Energy: 0.5406219525867088
Energy: 0.5497779921007189
Energy: 0.5417399858154397
Energy: 0.5933035271922434
Energy: 0.5363893236693502
Energy: 0.5419692266848329
Energy: 0.5930441072820901
Energy: 0.5370156730165334
Energy: 0.5411232338862014
Energy: 0.6054367962247699
Energy: 0.5620977431606489
Energy: 0.5593042953180422
Energy: 0.5406500004607006
Energy: 0.5620781569796482
Energy: 0.5590293727752353
Energy: 0.5214320164726424
Energy: 0.5544857690030132
Energy: 0.5508646548818482
Energy: 0.5176953631297495
Energy: 0.5527208296370525
Energy: 0.5576219909725644
Energy: 0.586440507356114
Energy: 0.5515848359137617
Energy: 0.5507567794056704
Energy: 0.5256888374313899
Energy: 0.5533208430982016
Energy: 0.5497748260923231
Energy: 0.6714519047101581
Energy: 0.5321879701795529
Energy: 0.5102914048441536
Energy: 0.5025077275666315
Energy: 0.5313944744334507
Energy: 0.5023116133708284

minimum gb energy = 0.5013961846127357 eV
minimum distance =  2.73491069272179 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.5888154447174919
Energy: 0.5475429582491272
Energy: 0.6264387760877017
Energy: 0.5202057451118103
Energy: 0.5477994206244029
Energy: 0.6247179346651751
Energy: 0.593106663066845
Energy: 0.5173719030080365
Energy: 0.5175618106115288
Energy: 0.4949103349866979
Energy: 0.5172893900810859
Energy: 0.46508794161571104
Energy: 0.545718839702721
Energy: 0.5177909635828901
Energy: 0.5185545733470072
Energy: 0.465810296542594
Energy: 0.5163972417499928
Energy: 0.4828221421814992
Energy: 0.5432237889500587
Energy: 0.4655700867906505
Energy: 0.46526992287035795
Energy: 0.4820296893095144
Energy: 0.5436726319846108
Energy: 0.4647488741815285
Energy: 0.5931870548603831
Energy: 0.45776478871695175
Energy: 0.46581265747070444
Energy: 0.49056351841329066
Energy: 0.5224908630245187
Energy: 0.466503877412973
Energy: 0.5176255692160372
Energy: 0.44071769034333685
Energy: 0.4597198710561706
Energy: 0.5178866947434638
Energy: 0.4406546723260205
Energy: 0.4406440196542852
Energy: 0.5172523696181728
Energy: 0.491115462810775
Energy: 0.4807902468959273
Energy: 0.5174436258938924
Energy: 0.49697797730479
Energy: 0.4916449558684719
Energy: 0.5171279515946884
Energy: 0.4878278382575123
Energy: 0.542802335003191
Energy: 0.5170180345278145
Energy: 0.49268038062511044
Energy: 0.5257766929835167
Energy: 0.5467270622236187
Energy: 0.4660767306503318
Energy: 0.46511749666856667
Energy: 0.5169375133859114
Energy: 0.49465409626129186
Energy: 0.4813002911168964
Energy: 0.4930381064966936
Energy: 0.4812476659235176
Energy: 0.48005150334210267
Energy: 0.5160366920832616
Energy: 0.4843748761973207
Energy: 0.4920798404426041
Energy: 0.5460503648587577
Energy: 0.5140446972978542
Energy: 0.5152101867263025
Energy: 0.4899619548579668
Energy: 0.5143854161263974
Energy: 0.48161881967113784
Energy: 0.5381253650573323
Energy: 0.49101320749363314
Energy: 0.4910073852813238
Energy: 0.49502574382770026
Energy: 0.5175724071534206
Energy: 0.46511893179642605

minimum gb energy = 0.4406440196542852 eV
minimum distance =  2.71924161919176 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.8116606206522406
Energy: 0.4516070152555262
Energy: 0.635087759862976
Energy: 0.4842878003985394
Energy: 0.4515132727546992
Energy: 0.490452512657005
Energy: 0.46489181864830614
Energy: 0.45161133686949756
Energy: 0.45157239315446507
Energy: 0.4356013040307095
Energy: 0.45170178782942494
Energy: 0.4327964894279737
Energy: 0.4642405848224614
Energy: 0.4547666074937621
Energy: 0.44213420659567854
Energy: 0.43381397669844046
Energy: 0.45124395880475543
Energy: 0.43691396727809384
Energy: 0.5721203324123344
Energy: 0.42543066289493414
Energy: 0.42526690452112054
Energy: 0.4382895482061789
Energy: 0.4530133370377427
Energy: 0.41912754266076024
Energy: 0.48720946631387857
Energy: 0.4316497479874935
Energy: 0.40392843038371895
Energy: 0.4518090810356674
Energy: 0.43034509642723395
Energy: 0.4430726689154116
Energy: 0.4550070551280198
Energy: 0.43579805420352763
Energy: 0.427613180722577
Energy: 0.455189893220078
Energy: 0.4182147521582076
Energy: 0.4167343626330922
Energy: 0.4579636971589283
Energy: 0.4154559647083875
Energy: 0.4154125984662178
Energy: 0.4589105747169744
Energy: 0.43396556721346174
Energy: 0.4632399308763427
Energy: 0.4477587820879462
Energy: 0.4458305080830414
Energy: 0.4166718825425384
Energy: 0.4479202103523886
Energy: 0.4355769268317688
Energy: 0.4244408623184565
Energy: 0.4514849753290069
Energy: 0.4336696022302643
Energy: 0.44011595769449635
Energy: 0.4534342758471764
Energy: 0.44049933442529976
Energy: 0.4442558111956914
Energy: 0.6489880215149855
Energy: 0.4372206753981408
Energy: 0.4298427757384758
Energy: 0.42556678155259736
Energy: 0.45116371125544497
Energy: 0.4369833627000398
Energy: 0.4341062973527868
Energy: 0.45821992404920914
Energy: 0.4618670535818152
Energy: 0.42541463111987654
Energy: 0.4590493774908625
Energy: 0.4157269797734662
Energy: 0.5024985278569359
Energy: 0.45883728265147117
Energy: 0.45814477511794827
Energy: 0.42535646258624443
Energy: 0.45909961573510927
Energy: 0.4107439015974729
Energy: 0.727754924983188
Energy: 0.5415788044294741
Energy: 0.441692367707483
Energy: 0.4413444332376294
Energy: 0.4564848522349753
Energy: 0.464343955177563
Energy: 0.5023834979694864
Energy: 0.4515036799542502
Energy: 0.4428691581141684
Energy: 0.4288167096615703
Energy: 0.4541752790975812
Energy: 0.4164654902324911
Energy: 0.4501075620479983
Energy: 0.4473721942497651
Energy: 0.4483915280329322
Energy: 0.45044596701886974
Energy: 0.4490599009744969
Energy: 0.45395613509151383
Energy: 0.45134403089691505
Energy: 0.43478405038061485
Energy: 0.4302024233775032
Energy: 0.4520977204122477
Energy: 0.44624735219244027
Energy: 0.44514638221867847
Energy: 0.4513962358117859
Energy: 0.4149290479640997
Energy: 0.4089790647972988
Energy: 0.4513699598392726
Energy: 0.42349610367921625
Energy: 0.4350219281301692
Energy: 0.46597147862517907
Energy: 0.4436566055140526
Energy: 0.4279966321389902
Energy: 0.4511773589341577
Energy: 0.4517647692148529
Energy: 0.44041280441027947
Energy: 0.4638918108309422
Energy: 0.4338084707996161
Energy: 0.43638556454359106
Energy: 0.45197125887339096
Energy: 0.4370579636114832
Energy: 0.43120062025847145
Energy: 0.46345169462635794
Energy: 0.44045329124907495
Energy: 0.4292570478788499
Energy: 0.4404964492981211
Energy: 0.43994058870763086
Energy: 0.43007861365142797
Energy: 0.46420543216607085
Energy: 0.4529048856488552
Energy: 0.4436041370396115
Energy: 0.44409172932910607
Energy: 0.4537249030396536
Energy: 0.43120270553462825
Energy: 0.492346187223583
Energy: 0.452918818965541
Energy: 0.4526077212318231
Energy: 0.4322198926636796
Energy: 0.45188512365402844
Energy: 0.42239998821824076
Energy: 0.4886550105415876
Energy: 0.451491201656063
Energy: 0.44318030089538385
Energy: 0.4321041304077668
Energy: 0.4516997501729803
Energy: 0.4115345445919097
Energy: 0.4643914424295301
Energy: 0.4522041805657662
Energy: 0.45212592828873954
Energy: 0.45356917492376486
Energy: 0.45203249412161384
Energy: 0.44317679443767577
Energy: 0.567287665833597
Energy: 0.42527261702266833
Energy: 0.4519729441609816
Energy: 0.45098672291124403
Energy: 0.45081711884974535
Energy: 0.45333493748652964
Energy: 0.46434905269413995
Energy: 0.4247894968860603
Energy: 0.4168806267835047
Energy: 0.454248594704633
Energy: 0.42508849065141824
Energy: 0.4427573905857919
Energy: 0.578159436348419
Energy: 0.4494460356528681
Energy: 0.4498292050534957
Energy: 0.5778598390771094
Energy: 0.44814873022608775
Energy: 0.44184008913397743
Energy: 0.4626653261489818
Energy: 0.41621969773552875
Energy: 0.4164918357384426
Energy: 0.46345921014585145
Energy: 0.42504405877667717
Energy: 0.4512189577143327
Energy: 0.46344555760114975
Energy: 0.4269470708371873
Energy: 0.41647191332418404
Energy: 0.4596119991180534
Energy: 0.4346224455288078
Energy: 0.4595319220950309
Energy: 0.4393937216952894
Energy: 0.4480872166549178
Energy: 0.41693955886850764
Energy: 0.4513476668414698
Energy: 0.4396671499121358
Energy: 0.4299447869953241
Energy: 0.43406294382155985
Energy: 0.4377880371947686
Energy: 0.4527990854381494
Energy: 0.4254133602018501
Energy: 0.4387345867242582
Energy: 0.4472895200662408
Energy: 0.647586160041561
Energy: 0.4250596615872244
Energy: 0.43417399801580236
Energy: 0.42283444239487034
Energy: 0.4480907933791473
Energy: 0.4370300812448569
Energy: 0.4638986661300039
Energy: 0.4625120399652748
Energy: 0.45836099218598036
Energy: 0.4527850069115685
Energy: 0.4596371796441496
Energy: 0.4154032403564716
Energy: 0.5694837857612368
Energy: 0.4569094035567208
Energy: 0.46158301723447126
Energy: 0.4323977260396958
Energy: 0.4563305903599839
Energy: 0.43168905728579715
Energy: 0.46284765182008014
Energy: 0.45145950157220477
Energy: 0.4347425642861691
Energy: 0.4329351831034783
Energy: 0.4511376349384906
Energy: 0.4168445201535564
Energy: 0.4506174799942532
Energy: 0.4431655358321271
Energy: 0.4160542845254736
Energy: 0.45905112711473023
Energy: 0.444210583763317
Energy: 0.42520038202087884
Energy: 0.4496888497060317
Energy: 0.43601331236552643
Energy: 0.43589072555339226
Energy: 0.45051118404187646
Energy: 0.44184552530993415
Energy: 0.43988899837766726
Energy: 0.4510957864690839
Energy: 0.43367277842896074
Energy: 0.4333281237719634
Energy: 0.45111194061202015
Energy: 0.43413936963050764
Energy: 0.4414758720461579
Energy: 0.487280251298302
Energy: 0.4649593439199833
Energy: 0.4888583072522516
Energy: 0.4854258575720165
Energy: 0.48898107269069363
Energy: 0.42613311948501403
Energy: 0.46438191551965563
Energy: 0.43274721086844864
Energy: 0.43086472894053324
Energy: 0.4507893477818378
Energy: 0.4345905307244628
Energy: 0.43813396340697314
Energy: 0.46367813068329233
Energy: 0.4287122011936671
Energy: 0.4306506566995394
Energy: 0.4436694797265858
Energy: 0.4420710326700814
Energy: 0.4441534260899662
Energy: 0.46417298208616786
Energy: 0.44470401357624856
Energy: 0.4448567255380093
Energy: 0.45177680803261394
Energy: 0.4458940874775865
Energy: 0.4277489048207611
Energy: 0.48858794098515934
Energy: 0.4514585404134856
Energy: 0.43656626989425096
Energy: 0.43209549002754605
Energy: 0.451684302847989
Energy: 0.41134047723948686

minimum gb energy = 0.40392843038371895 eV
minimum distance =  2.68501811852186 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.3672129396272345
Energy: 0.3222736567308367
Energy: 0.21381604468277532
Energy: 0.19875242075133903
Energy: 0.3062824343144449
Energy: 0.356761525112373
Energy: 0.4588733165696658
Energy: 0.3555349945072908
Energy: 0.33783036556243906
Energy: 0.35534571620695343
Energy: 0.3555126092115499
Energy: 0.3149952261726793
Energy: 0.5263482840172733
Energy: 0.5102656953419362
Energy: 0.3379687191476192
Energy: 0.3213367237857799
Energy: 0.3560210446528894
Energy: 0.4994967980417053
Energy: 0.45808818227253545
Energy: 0.42225915661681374
Energy: 0.4227328732424875
Energy: 0.44728587819339855
Energy: 0.43464999661484366
Energy: 0.43456203471163
Energy: 0.45879723611705964
Energy: 0.2557710376072907
Energy: 0.26221041877268947
Energy: 0.4364992092938156
Energy: 0.25468322240415087
Energy: 0.4402929105497134
Energy: 0.44616707109615933
Energy: 0.25520308779198064
Energy: 0.25585329632788256
Energy: 0.3245861281688663
Energy: 0.25875074579225305
Energy: 0.24622834733404117
Energy: 0.44200256389089376
Energy: 0.4139041368199309
Energy: 0.3682279595763963
Energy: 0.32094065885752193
Energy: 0.36864198082905675
Energy: 0.39630413389921
Energy: 0.5083652741586953
Energy: 0.42976977709906716
Energy: 0.3197197735481209
Energy: 0.5200106873763463
Energy: 0.5282138777591524
Energy: 0.5122327604088439
Energy: 0.5116803452850776
Energy: 0.32046341914111026
Energy: 0.5011120799341062
Energy: 0.4760809656510503
Energy: 0.4785071661217189
Energy: 0.5128058352164305
Energy: 0.3146287470376437
Energy: 0.4197426677681717
Energy: 0.21427548133052257
Energy: 0.1979613238910595
Energy: 0.4066147987268721
Energy: 0.30667201651881765
Energy: 0.3104947305075874
Energy: 0.4181302688806486
Energy: 0.43660067631291577
Energy: 0.19793123337488705
Energy: 0.4575157236025764
Energy: 0.2912426930640757
Energy: 0.5310544365090525
Energy: 0.5142590864706902
Energy: 0.33926824082760304
Energy: 0.45939218512852165
Energy: 0.47053065472872013
Energy: 0.4832097023854547
Energy: 0.5331294243841854
Energy: 0.4314724598061444
Energy: 0.3713074063035492
Energy: 0.31994199270730755
Energy: 0.3731225367043596
Energy: 0.41745554715374106
Energy: 0.45242300940366015
Energy: 0.424017674742526
Energy: 0.32319897744580867
Energy: 0.3245135135528199
Energy: 0.37153364820738194
Energy: 0.39682716358229225
Energy: 0.4319069597464862
Energy: 0.25879238303805907
Energy: 0.25518299992628585
Energy: 0.32403966811073603
Energy: 0.2565576163066814
Energy: 0.25535163851547504
Energy: 0.44628090732901016
Energy: 0.4159537357267365
Energy: 0.4352865151364632
Energy: 0.44830827076121776
Energy: 0.2551330797130638
Energy: 0.4390481924791417
Energy: 0.4461577794742968
Energy: 0.43602885146668613
Energy: 0.45190795700519093
Energy: 0.4472639209893673
Energy: 0.43358091133559223
Energy: 0.43428513410014813
Energy: 0.5278750868866289
Energy: 0.5085900382647953
Energy: 0.3196532901226875
Energy: 0.32281663233335134
Energy: 0.3045906674157138
Energy: 0.5293150087396312
Energy: 0.3678508764756371
Energy: 0.3554903122715792
Energy: 0.3302802960271972
Energy: 0.1979784167760382
Energy: 0.3638501794889943
Energy: 0.3367273350295549

minimum gb energy = 0.19793123337488705 eV
minimum distance =  2.67860572556117 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.6567504643609303
Energy: 0.33943309081466366
Energy: 0.4009188075789826
Energy: 0.5236917754926222
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Energy: 0.3586197578215702
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Energy: 0.34580993813459593
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Energy: 0.3618660376957156
Energy: 0.3516232076647973
Energy: 0.34575158564848074
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Energy: 0.3429879829452807
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Energy: 0.35655897284719595
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Energy: 0.39191498012478876
Energy: 0.3994955301781623
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Energy: 0.37397408596545245
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Energy: 0.37323350139250455
Energy: 0.3975325435030707
Energy: 0.3541269032120259
Energy: 0.37237444882277565
Energy: 0.40106750793417095
Energy: 0.3939616895660572
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Energy: 0.3815185952218548
Energy: 0.34336714419861253
Energy: 0.3575664350279158
Energy: 0.3791243419709294
Energy: 0.4154531715162802
Energy: 0.3940520850787605
Energy: 0.3964834930974034
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Energy: 0.47897538873765366
Energy: 0.39817058860659044
Energy: 0.5140885540731789
Energy: 0.3974475895084265
Energy: 0.3701113705883817
Energy: 0.37100781203346056
Energy: 0.3940205521385994
Energy: 0.36889099549541704
Energy: 0.42980238404576443
Energy: 0.5017258573734268
Energy: 0.5021344279657737
Energy: 0.42985032781393706
Energy: 0.444017221151282
Energy: 0.39163942542777225
Energy: 0.34197519370212803
Energy: 0.3757402620565806
Energy: 0.3709147067996765
Energy: 0.3421988899930821
Energy: 0.35953478641282327
Energy: 0.3699402118999362
Energy: 0.3867545950917732
Energy: 0.40187809596737156
Energy: 0.3821308415077248
Energy: 0.38725774069276475
Energy: 0.4141851895484675
Energy: 0.3820866968029925
Energy: 0.37887441451556525
Energy: 0.34778997186112953
Energy: 0.3638392275423056
Energy: 0.37975978023716217
Energy: 0.34546003725910024
Energy: 0.37930025552104285
Energy: 0.39141460374916676
Energy: 0.3526409878867108
Energy: 0.3462629416167325
Energy: 0.3746504910900552
Energy: 0.35850271131762845
Energy: 0.32991124367638053

minimum gb energy = 0.32991124367638053 eV
minimum distance =  2.68708055103484 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: 0.3674280207111578
Energy: 0.37737333998547234
Energy: 0.5086325914306247
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Energy: 0.5071253657551712
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Energy: 0.3536976938490518
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Energy: 0.35123545933509426
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Energy: 0.3695923350179353
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Energy: 0.3693498347898212
Energy: 0.38785523898499924
Energy: 0.42410707673677905
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Energy: 0.4238176514347198
Energy: 0.4245023040741705
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Energy: 0.37001418840247907
Energy: 0.36945565398997954
Energy: 0.37165704144437944
Energy: 0.3678619572872364
Energy: 0.3839440279964312
Energy: 0.4347617206180378
Energy: 0.42980461366740513
Energy: 0.38564254076608545
Energy: 0.4352951396260491
Energy: 0.37105332927564544
Energy: 0.41443179036049793
Energy: 0.3692480366034605
Energy: 0.36771487410431425
Energy: 0.3885995753771231
Energy: 0.3728968353474546
Energy: 0.3674379270926642
Energy: 0.48488300438434545
Energy: 0.38933105102961973
Energy: 0.3824475829925551
Energy: 0.45464172497745964
Energy: 0.37236665027047244
Energy: 0.3792982744346831
Energy: 0.48510873826755546
Energy: 0.44764159263118136
Energy: 0.37860311294172155
Energy: 0.45522119321765603
Energy: 0.37378027721106455
Energy: 0.3677401250114603
Energy: 0.4778502516264024
Energy: 0.3667069067784179
Energy: 0.3931635360228187
Energy: 0.39058742151764536
Energy: 0.370761408035027
Energy: 0.39356541622846114
Energy: 0.4290726192743143
Energy: 0.5074797410163062
Energy: 0.507204947086006
Energy: 0.42907547412114416
Energy: 0.5059674284447562
Energy: 0.5067069940484215
Energy: 0.3727857003403997
Energy: 0.3913451096321893
Energy: 0.3698492338173783
Energy: 0.37249514128503164
Energy: 0.39090979209305926
Energy: 0.3938355381153661
Energy: 0.43131089714173004
Energy: 0.4294301865468785
Energy: 0.4355280816286665
Energy: 0.4311871714468861
Energy: 0.4285958701776855
Energy: 0.4307865659562405
Energy: 0.4302653449418245
Energy: 0.36810078781444083
Energy: 0.367593846166828
Energy: 0.3727662370196293
Energy: 0.3706797334110539
Energy: 0.36738313028963054
Energy: 0.5850746333562804
Energy: 0.38631987498214354
Energy: 0.38463480194099053
Energy: 0.5056474994246806
Energy: 0.3687085849298248
Energy: 0.38557285503231137

minimum gb energy = 0.35123545933509426 eV
minimum distance =  2.67367879793329 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.5024337379458226
Energy: 0.40880410606376916
Energy: 0.6072912363843372
Energy: 0.501539646985498
Energy: 0.7587055633408876
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Energy: 0.41780954193031683
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Energy: 0.38600450830532335
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Energy: 0.38721453597453537
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Energy: 0.3862602460955693
Energy: 0.3958527822769829
Energy: 0.41169915246394817
Energy: 0.400170750931528
Energy: 0.399201397268941
Energy: 0.40381130811686794
Energy: 0.41382789201022385
Energy: 0.3999913647655427
Energy: 0.7071687144166499
Energy: 0.39835882006401563
Energy: 0.38436626259381834
Energy: 0.38510264317809656
Energy: 0.5195511172874877
Energy: 0.38422955913810164

minimum gb energy = 0.38298250645344656 eV
minimum distance =  2.6998004291091 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5932017912368548
Energy: 0.42404934799322114
Energy: 0.4197738517005196
Energy: 0.41722746337167077
Energy: 0.4514684368195897
Energy: 0.41752374969895645
Energy: 0.43706294980917393
Energy: 0.41456474676739713
Energy: 0.4131108934611814
Energy: 0.42318274108788523
Energy: 0.4153130796668802
Energy: 0.41320849603870013
Energy: 0.44077701986280365
Energy: 0.38570483032116687
Energy: 0.42241258041686824
Energy: 0.4228079752563395
Energy: 0.3848778655618773
Energy: 0.4217432205107326
Energy: 0.43932170529513237
Energy: 0.4238752182960759
Energy: 0.4236519145419784
Energy: 0.42145497636254675
Energy: 0.4151126133044179
Energy: 0.42379842981287924
Energy: 0.44561071577840056
Energy: 0.4241442878800164
Energy: 0.4242834684422824
Energy: 0.4461606671147244
Energy: 0.42408748366568794
Energy: 0.4245959453371608
Energy: 0.44489869604100296
Energy: 0.4022149478555621
Energy: 0.42550604224149324
Energy: 0.4451264976826082
Energy: 0.40335639977042737
Energy: 0.42595553157618304
Energy: 0.4700472703779375
Energy: 0.4237706261697495
Energy: 0.4232287598255647
Energy: 0.4046907467064378
Energy: 0.4249401192419817
Energy: 0.4235351517533663

minimum gb energy = 0.3848778655618773 eV
minimum distance =  2.72863739199309 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.7717983835291394
Energy: 0.5607328284914992
Energy: 0.48346308866587945
Energy: 0.4545526385079431
Energy: 0.5605723383466911
Energy: 0.48439438845275623
Energy: 0.44853736747948214
Energy: 0.4765909720928046
Energy: 0.4493121076741181
Energy: 0.4520987130467554
Energy: 0.4501356369504965
Energy: 0.4491322849784868
Energy: 0.4523867886196225
Energy: 0.44829955883819544
Energy: 0.44807370728918117
Energy: 0.4524969910234376
Energy: 0.44840050745130416
Energy: 0.44955237309928164
Energy: 0.44920895663821986
Energy: 0.4489904694660897
Energy: 0.4489152026863622
Energy: 0.45013272938943427
Energy: 0.4486458049006249
Energy: 0.44864756341660134
Energy: 0.45691512238584703
Energy: 0.44857019222071337
Energy: 0.448874834220321
Energy: 0.4572413652654967
Energy: 0.45926281900843763
Energy: 0.44981033637754614
Energy: 0.4485616212220524
Energy: 0.44860698789952613
Energy: 0.44943576503986626
Energy: 0.44972874106257676
Energy: 0.4638856375173423
Energy: 0.44977793455337967
Energy: 0.44873458215581774
Energy: 0.49889123476607344
Energy: 0.475933939689537
Energy: 0.4585426546654503
Energy: 0.4944645360687458
Energy: 0.4745451440858612
Energy: 0.7236187357863546
Energy: 0.4995289068212316
Energy: 0.47154847355932966
Energy: 0.4495934944214093
Energy: 0.49520634435663224
Energy: 0.4730028836327356
Energy: 0.4508467848940527
Energy: 0.44965654953629475
Energy: 0.48164386009188853
Energy: 0.4602755349793021
Energy: 0.4700752546393594
Energy: 0.4592674756573383
Energy: 0.5159689694384395
Energy: 0.4473558673154366
Energy: 0.4473012128987265
Energy: 0.506831943634473
Energy: 0.44761008290922255
Energy: 0.48392362715258536
Energy: 0.4742273681491488
Energy: 0.4516924966419054
Energy: 0.44733967392008045
Energy: 0.47492894140726793
Energy: 0.45150229264960223
Energy: 0.49941941091231573
Energy: 0.480701267668407
Energy: 0.4502075736613831
Energy: 0.4501419674307069
Energy: 0.47651026443951683
Energy: 0.46564624526851134
Energy: 0.4496287884503509
Energy: 0.4804166553848917
Energy: 0.4497083798385665
Energy: 0.45023644242974764
Energy: 0.483574927025535
Energy: 0.4491254247303583
Energy: 0.4496733495921091
Energy: 0.4784334219755025
Energy: 0.4525674922843401
Energy: 0.448165676790724
Energy: 0.46351252439731316
Energy: 0.44952765993261296
Energy: 0.44806724200121045
Energy: 0.5053607045022512
Energy: 0.45226955967281124
Energy: 0.46180210813338096
Energy: 0.46432067321745923
Energy: 0.4525026171928038
Energy: 0.4502994809089712
Energy: 0.5213693066487541
Energy: 0.4543315140660995
Energy: 0.4484132583322779
Energy: 0.48656630130597667
Energy: 0.45127209034568494
Energy: 0.44872699675682687
Energy: 0.5926716220320096
Energy: 0.47034300920455635
Energy: 0.46892381278119266
Energy: 0.5934765941453316
Energy: 0.4718478476871588
Energy: 0.4900796043869678
Energy: 0.47582705150209437
Energy: 0.4821679343129538
Energy: 0.4499547813474546
Energy: 0.4669460721121781
Energy: 0.45088066230237134
Energy: 0.4650682548397737
Energy: 0.5159017952211665
Energy: 0.45352734364780967
Energy: 0.4494399242220503
Energy: 0.44728458506056556
Energy: 0.4527720523761331
Energy: 0.4481794882840864
Energy: 0.46411346737299036
Energy: 0.4688034951395532
Energy: 0.47061930449892947
Energy: 0.44724311430436287
Energy: 0.46623723537822903
Energy: 0.44736388045627207
Energy: 0.46513851368361925
Energy: 0.46808371338003535
Energy: 0.4641840000658909
Energy: 0.47562235499989053
Energy: 0.46763156357962105
Energy: 0.4631791029492504
Energy: 0.46595623536690156
Energy: 0.46322978626526484
Energy: 0.4604734161818448
Energy: 0.47008943181157564
Energy: 0.462714712838318
Energy: 0.46063345604028566
Energy: 0.4702375950464915
Energy: 0.4621933611091957
Energy: 0.46219628364087756
Energy: 0.47127878572576504
Energy: 0.4826064178199742
Energy: 0.4753306730144916
Energy: 0.46613214115131657
Energy: 0.4500592133437419
Energy: 0.45007693732269033
Energy: 0.46681960468070943
Energy: 0.4504381879331579
Energy: 0.46866381081069647
Energy: 0.45083353446662167
Energy: 0.4727163352678616
Energy: 0.4499158729287951
Energy: 0.4491099587451537
Energy: 0.4510024279667154
Energy: 0.4484792026283508
Energy: 0.49706097409595396
Energy: 0.48403109129386573
Energy: 0.4799365882770268
Energy: 0.4499661402844718
Energy: 0.4901439018326598
Energy: 0.49868939825861985
Energy: 0.44811071882964526
Energy: 0.4837199847805747
Energy: 0.4681432367497389
Energy: 0.45155355309864836
Energy: 0.4889152031110042
Energy: 0.4711396234062084
Energy: 0.45202700720450234
Energy: 0.4489468844326846
Energy: 0.4487563849651627
Energy: 0.46355511130148047
Energy: 0.452345824498965
Energy: 0.4487063036005562
Energy: 0.45656746309315516
Energy: 0.44891234999380597
Energy: 0.4486547115967
Energy: 0.45652286363062383
Energy: 0.4489607119129432
Energy: 0.4503124688988829
Energy: 0.4495397313226442
Energy: 0.44866215744163257
Energy: 0.4484462881398169
Energy: 0.4498181225719146
Energy: 0.4766464359634603
Energy: 0.44823408319119223
Energy: 0.4486402686234205
Energy: 0.4778448454718302
Energy: 0.45057258867691874
Energy: 0.44896830719565967
Energy: 0.44990387200165916
Energy: 0.4507811309990978
Energy: 0.45461938689734105
Energy: 0.4778844093159389
Energy: 0.4501718873859792
Energy: 0.46192491948269593
Energy: 0.47480041898092384
Energy: 0.4492852650521797
Energy: 0.49683365529862744
Energy: 0.49094106277258315
Energy: 0.49058253446791666
Energy: 0.44866684730428746
Energy: 0.5085923413503842
Energy: 0.4696616827373261
Energy: 0.47976419505061524
Energy: 0.4502909691279331
Energy: 0.4852150216315192
Energy: 0.47325520108558267
Energy: 0.45563906497442214
Energy: 0.46185115127994836
Energy: 0.4482886509289638
Energy: 0.4986868484503985
Energy: 0.4481474067373266
Energy: 0.4584959073854389
Energy: 0.45108341660671125
Energy: 0.449884544527397
Energy: 0.5061978034476073
Energy: 0.44733707913632914
Energy: 0.4475948788940421
Energy: 0.5065150773484425
Energy: 0.44752014920730687
Energy: 0.483868564565745
Energy: 0.5084392536286704
Energy: 0.4535894749517482
Energy: 0.44955755345293313
Energy: 0.5093557114724079
Energy: 0.4624351008187164
Energy: 0.451677729229179
Energy: 0.5973989654447338
Energy: 0.4505402778156603
Energy: 0.451410267518207
Energy: 0.44957279277956835
Energy: 0.44984999024814576
Energy: 0.47592159448371324
Energy: 0.4813792648177111
Energy: 0.45506924129652937
Energy: 0.44892409976860026
Energy: 0.4597855063054727
Energy: 0.45205355004929265
Energy: 0.4487698922598307
Energy: 0.4717270819058605
Energy: 0.45018229049495667
Energy: 0.4498825944549393
Energy: 0.46374233974920825
Energy: 0.45520426052506335
Energy: 0.44980975422906605
Energy: 0.5181537090631666
Energy: 0.45341094002714377
Energy: 0.44852618040825454
Energy: 0.4518785883090488
Energy: 0.45074343066891265
Energy: 0.4485635998873402
Energy: 0.5164290110954346
Energy: 0.46045578546937793
Energy: 0.46081150671016313
Energy: 0.5167776391647625
Energy: 0.460078974249712
Energy: 0.477889851798497
Energy: 0.5659396704039418
Energy: 0.47046945228937526
Energy: 0.4688572714750087
Energy: 0.4955646691896211
Energy: 0.44841601702219896
Energy: 0.4900490009060552
Energy: 0.48445612538856936
Energy: 0.45284959189191365
Energy: 0.44837446859641356
Energy: 0.4593718531855977
Energy: 0.4500064129819657
Energy: 0.4502821389283976
Energy: 0.6783856215765773
Energy: 0.46956009989685
Energy: 0.44905431416655056
Energy: 0.4666247359841824
Energy: 0.4685202105542281
Energy: 0.44923878396273703
Energy: 0.4713707223919881
Energy: 0.4729376722409275
Energy: 0.47356504709987146
Energy: 0.46028683920817187
Energy: 0.47086974640387624
Energy: 0.47404595045243414
Energy: 0.4656941668516303
Energy: 0.46132771811686546
Energy: 0.46065276162892693
Energy: 0.4622669517723442
Energy: 0.45106579740537067
Energy: 0.46084190231374506
Energy: 0.46512266864317775
Energy: 0.4634894868075449
Energy: 0.4637182103536476
Energy: 0.4676036821683754
Energy: 0.4825443235036531
Energy: 0.4642647043332465
Energy: 0.4648012914213722
Energy: 0.448491448426241
Energy: 0.44920977397935574
Energy: 0.4657616031780787
Energy: 0.44897980250451114
Energy: 0.4708164674208837
Energy: 0.44942553114758865
Energy: 0.44882962953745864
Energy: 0.448406898670846
Energy: 0.45556802430204485
Energy: 0.44898353497766014
Energy: 0.4496531167837084
Energy: 0.4467894761410061
Energy: 0.4631291512426754
Energy: 0.47628424148408915
Energy: 0.44950206241377966
Energy: 0.46492472415185365
Energy: 0.4505852065940834

minimum gb energy = 0.4467894761410061 eV
minimum distance =  2.7243340209398 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.8495381834397893
Energy: 0.5604497259150214
Energy: 0.4978207953488051
Energy: 0.5005205067655902
Energy: 0.5603912252524882
Energy: 0.49809135792145304
Energy: 0.46641086306789825
Energy: 0.5199537021428073
Energy: 0.48427345496071544
Energy: 0.4717690354863161
Energy: 0.5151899156103391
Energy: 0.48531381365880727
Energy: 0.4846358332494656
Energy: 0.45797127284715927
Energy: 0.45602682936492234
Energy: 0.4748676401736197
Energy: 0.4722829288025262
Energy: 0.4657078371347801
Energy: 0.4683825214318145
Energy: 0.4564749180591979
Energy: 0.48361440851949267
Energy: 0.4685588851589323
Energy: 0.4415480290944356
Energy: 0.47063603389717523
Energy: 0.4691867721482533
Energy: 0.4800432631468855
Energy: 0.4802454212710829
Energy: 0.4692788141079086
Energy: 0.4855232287143156
Energy: 0.4793936936422969
Energy: 0.48452110094578155
Energy: 0.48329768039522364
Energy: 0.4834921918855563
Energy: 0.4951331231574585
Energy: 0.4693369829264482
Energy: 0.48016522343568324
Energy: 0.4897677224669452
Energy: 0.45080011472030357
Energy: 0.4711194161595944
Energy: 0.4523863738485351
Energy: 0.45386172008297765
Energy: 0.4693762532045793
Energy: 0.5057414698117566
Energy: 0.5406567521249028
Energy: 0.5197110944833842
Energy: 0.44145903812188547
Energy: 0.5434089251205563
Energy: 0.4541304274647508
Energy: 0.5156005632562549
Energy: 0.45127906153423436
Energy: 0.4689786293442666
Energy: 0.4741790851468002
Energy: 0.454378874076866
Energy: 0.4688551858038416
Energy: 0.523352407104601
Energy: 0.4596724986952352
Energy: 0.45968857391653134
Energy: 0.48148013743922274
Energy: 0.4620177816348894
Energy: 0.45939378824758514
Energy: 0.4957784594480496
Energy: 0.464226260998669
Energy: 0.4361779405653319
Energy: 0.4745777709342305
Energy: 0.43686258448608384
Energy: 0.4737765279895509
Energy: 0.46802027119451317
Energy: 0.451759931548823
Energy: 0.4527760944317201
Energy: 0.44336598017822143
Energy: 0.4916055900681521
Energy: 0.4749950591588015
Energy: 0.4680559870167582
Energy: 0.479778799692815
Energy: 0.4795479861539855
Energy: 0.4700193134584262
Energy: 0.4817565003681698
Energy: 0.44064423867495495
Energy: 0.4360574455613781
Energy: 0.45126264566432955
Energy: 0.452923334171617
Energy: 0.4537933782037167
Energy: 0.45095252724340507
Energy: 0.4837532862140803
Energy: 0.43577374084367687
Energy: 0.4525318558048267
Energy: 0.44526565144588015
Energy: 0.44226521593837126
Energy: 0.4521640832136575
Energy: 0.44450315663109186
Energy: 0.43574922603470145
Energy: 0.4336889899359043
Energy: 0.4286217820215236
Energy: 0.4355715659964852
Energy: 0.4243620790209959
Energy: 0.4410180784626966
Energy: 0.5497272364998704
Energy: 0.442333854623817
Energy: 0.4517836632444874
Energy: 0.549762563700326
Energy: 0.44291139457094303
Energy: 0.4528721173892019
Energy: 0.42334098496298145
Energy: 0.4248606880417421
Energy: 0.4254309516117337
Energy: 0.4236674282515061
Energy: 0.42403477489333696
Energy: 0.4335625071989606
Energy: 0.4253806282292188
Energy: 0.4236096340636067
Energy: 0.4232196703342366
Energy: 0.42568849879684484
Energy: 0.42506267508222667
Energy: 0.42338900893963266
Energy: 0.42480268014647415
Energy: 0.4233951236703539
Energy: 0.42329325671684953
Energy: 0.45593886920251187
Energy: 0.4246374198582461
Energy: 0.4234179461077152
Energy: 0.42323964732387986
Energy: 0.42498726391091374
Energy: 0.4251116422694643
Energy: 0.4236922376957843
Energy: 0.4239843470326787
Energy: 0.44320010601053145
Energy: 0.494957646102232
Energy: 0.4395215174262853
Energy: 0.5041664264246616
Energy: 0.4951602469466429
Energy: 0.4568780871725694
Energy: 0.47914692042009277
Energy: 0.436799815463489
Energy: 0.4249900737574964
Energy: 0.4247952424618053
Energy: 0.4377442927581297
Energy: 0.42382007150677525
Energy: 0.4237508793857934
Energy: 0.4373418093570802
Energy: 0.42617196770173943
Energy: 0.4272376072502142
Energy: 0.4261972218940446
Energy: 0.49383512242641914
Energy: 0.42670288797546824
Energy: 0.4389756266448893
Energy: 0.46726878319854354
Energy: 0.4878144749227782
Energy: 0.48012725456131405
Energy: 0.4524512413975522
Energy: 0.48766081823259727
Energy: 0.607869131786163
Energy: 0.5230613709661494
Energy: 0.4675244013986265
Energy: 0.4758793895844486
Energy: 0.522753946585611
Energy: 0.4675135665771071
Energy: 0.5058465979220186
Energy: 0.4507477239033908
Energy: 0.46767114621415273
Energy: 0.46714365388988116
Energy: 0.46291621502115143
Energy: 0.4674424309627463
Energy: 0.4951811597167232
Energy: 0.4633256797857464
Energy: 0.4681648503287004
Energy: 0.47480622100627023
Energy: 0.4368498824296856
Energy: 0.4739883623652192
Energy: 0.5187402134188139
Energy: 0.4596969359922642
Energy: 0.4598642797373308
Energy: 0.47722000760166905
Energy: 0.4535650824657874
Energy: 0.459646466947011
Energy: 0.5173677997353444
Energy: 0.4510483265810246
Energy: 0.47032690549132566
Energy: 0.4778015813231884
Energy: 0.45411266639454917
Energy: 0.48841585887848543
Energy: 0.4657310312108671
Energy: 0.524766977252594
Energy: 0.47278134475263806
Energy: 0.4730287870078976
Energy: 0.5089601746456662
Energy: 0.4407336293518989
Energy: 0.47017006527661
Energy: 0.451196748585227
Energy: 0.45122254191309047
Energy: 0.4527066373574384
Energy: 0.47362205869926033
Energy: 0.4536902971160034
Energy: 0.47423697615284505
Energy: 0.4806802946774737
Energy: 0.47912634989270375
Energy: 0.47826661492147593
Energy: 0.45170933188715007
Energy: 0.48186330980488856
Energy: 0.4732495676735399
Energy: 0.47774038966543314
Energy: 0.4777770030833362
Energy: 0.4678102827034695
Energy: 0.48068173123823665
Energy: 0.48544288682673836
Energy: 0.47446628781323025
Energy: 0.4859531692240041
Energy: 0.48702857466884114
Energy: 0.4743801319278904
Energy: 0.4748538882295833
Energy: 0.48703496125584933
Energy: 0.5372583880575043
Energy: 0.4423734671711461
Energy: 0.44224276038639165
Energy: 0.5373458954412011
Energy: 0.4410277873025206
Energy: 0.5166203362452692
Energy: 0.4669621712495525
Energy: 0.4833915763410664
Energy: 0.4838186555321404
Energy: 0.4717987334308998
Energy: 0.4750787801467183
Energy: 0.48436822889262493
Energy: 0.4405131992234522
Energy: 0.523719919727081
Energy: 0.4979997561919344
Energy: 0.4772802606578976
Energy: 0.5236862905764479
Energy: 0.49289192565602513

minimum gb energy = 0.4232196703342366 eV
minimum distance =  2.67433484122682 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.44740109935630135
Energy: 0.5836992573351638
Energy: 0.5139334784384322
Energy: 0.46059553153088734
Energy: 0.5833424849670592
Energy: 0.46055522222073697
Energy: 0.4504341623556731
Energy: 0.4547569592904758
Energy: 0.4537830695154407
Energy: 0.45048808282043235
Energy: 0.4455812908962779
Energy: 0.45055527612971574
Energy: 0.4547600484178139
Energy: 0.4413370299011305
Energy: 0.44142047613853613
Energy: 0.45227583902759155
Energy: 0.4408285436498323
Energy: 0.45064804423113675
Energy: 0.4503309696883977
Energy: 0.4407093889857556
Energy: 0.45905589312613915
Energy: 0.4506732309447806
Energy: 0.4623938460866998
Energy: 0.45039907884395347
Energy: 0.4506597517966324
Energy: 0.46859335260071877
Energy: 0.47218527203035177
Energy: 0.45103801410652944
Energy: 0.474331705937243
Energy: 0.4731226095411634
Energy: 0.45104597256748447
Energy: 0.47414045576021296
Energy: 0.47276924457460434
Energy: 0.4679456388341799
Energy: 0.451262045270413
Energy: 0.4702585382832479
Energy: 0.4504347764129298
Energy: 0.4504942759272621
Energy: 0.45078330497338986
Energy: 0.46163188857035586
Energy: 0.4504175240428671
Energy: 0.450706471981457
Energy: 0.4744076984733352
Energy: 0.4526004270036476
Energy: 0.4526959546412604
Energy: 0.4437759072887756
Energy: 0.4524937671172372
Energy: 0.45135014086953085
Energy: 0.4864815603126911
Energy: 0.45081860773553767
Energy: 0.45090914295947476
Energy: 0.48642482580012497
Energy: 0.45065885823857593
Energy: 0.45029748311316437
Energy: 0.5845423104979002
Energy: 0.4519530340645638
Energy: 0.4835555791719686
Energy: 0.513278156431464
Energy: 0.4511303825301279
Energy: 0.4840207257786594
Energy: 0.44253373711197524
Energy: 0.4418487269785886
Energy: 0.46496576012966107
Energy: 0.46401329282412546
Energy: 0.4539189553508887
Energy: 0.44788122868413116
Energy: 0.5259221477705692
Energy: 0.45037553283017157
Energy: 0.45029414749508195
Energy: 0.45278976442354363
Energy: 0.45110156716169203
Energy: 0.45034883290204547
Energy: 0.46092472738714946
Energy: 0.4504668629230979
Energy: 0.45751502278815287
Energy: 0.44236761252242873
Energy: 0.4842601040325951
Energy: 0.4575439166602783
Energy: 0.4433566828611454
Energy: 0.4509586123595178
Energy: 0.47448221939542556
Energy: 0.4457359758358186
Energy: 0.4507208430276848
Energy: 0.45289644206238583
Energy: 0.44336953744500185
Energy: 0.4828303598621529
Energy: 0.4606725734609435
Energy: 0.44367759351069064
Energy: 0.45074736393453907
Energy: 0.4498604799501656
Energy: 0.44335508011522706
Energy: 0.4514924030693658
Energy: 0.44292465748359827
Energy: 0.44267679597802073
Energy: 0.4613142793536538
Energy: 0.44244513839645716
Energy: 0.4469917129148698
Energy: 0.4465419376003612
Energy: 0.44664009663300747
Energy: 0.4470854755189468
Energy: 0.4424224472226326
Energy: 0.446849398415651
Energy: 0.4460129802740209
Energy: 0.4435311558546776
Energy: 0.4425778128340594
Energy: 0.4431840404529328
Energy: 0.44316793753598127
Energy: 0.44289517911619813
Energy: 0.4854358181228891
Energy: 0.443587255201061
Energy: 0.4437799377796401
Energy: 0.4836841105186196
Energy: 0.4443154347812206
Energy: 0.4499187310128458
Energy: 0.4867197417390654
Energy: 0.4441302545534219
Energy: 0.4443192587078046
Energy: 0.45330759292707384
Energy: 0.4446618684201128
Energy: 0.450070101376661
Energy: 0.44516410043180554
Energy: 0.44341673952008914
Energy: 0.4652213232610627
Energy: 0.45907147325748265
Energy: 0.44145016619942007
Energy: 0.44271671620091657
Energy: 0.5171266467626934
Energy: 0.458390164389364
Energy: 0.4583398434749167
Energy: 0.5171661161736331
Energy: 0.44256957943996306
Energy: 0.45914336846440024
Energy: 0.5244919135944651
Energy: 0.4428349535662696
Energy: 0.44288669960758714
Energy: 0.488947637140258
Energy: 0.4428281855819321
Energy: 0.44337641893540924
Energy: 0.5103267496649274
Energy: 0.4458885475029634
Energy: 0.4457991212235359
Energy: 0.4417374918628656
Energy: 0.4508425692446102
Energy: 0.4456543630298429
Energy: 0.4952486485873233
Energy: 0.44314643348906124
Energy: 0.44290648645215647
Energy: 0.44336703216719714
Energy: 0.44312937415199394
Energy: 0.44329395769189195
Energy: 0.4903943610656374
Energy: 0.44327293843285814
Energy: 0.45138736534178
Energy: 0.4459431055016304
Energy: 0.44384037572671514
Energy: 0.4519583371098546
Energy: 0.4886448978131302
Energy: 0.4511778202022843
Energy: 0.45132250637126853
Energy: 0.45085926033931206
Energy: 0.45498432902205566
Energy: 0.45970994013936833
Energy: 0.49014864232285
Energy: 0.452825693239763
Energy: 0.45033283241864375
Energy: 0.4512778771541995
Energy: 0.45827768145823194
Energy: 0.4503516690278465
Energy: 0.51293791813853
Energy: 0.45038572172488056
Energy: 0.45045258289924744
Energy: 0.5130260465014598
Energy: 0.4427565099553227
Energy: 0.4504927119457926
Energy: 0.45074958923355257
Energy: 0.45204725478727453
Energy: 0.4678232302811401
Energy: 0.4504459673556672
Energy: 0.4453869865268501
Energy: 0.45062786606429067
Energy: 0.4427866702881861
Energy: 0.4936550563849103
Energy: 0.5069877234019856
Energy: 0.4586190522320729
Energy: 0.5026198635606091
Energy: 0.5053471491624822

minimum gb energy = 0.4407093889857556 eV
minimum distance =  2.66469220501891 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.5582676920400643
Energy: 0.4587124471831888
Energy: 0.47177316427907134
Energy: 0.4398066983754294
Energy: 0.4583771872757004
Energy: 0.4719198838948197
Energy: 0.4488200409465446
Energy: 0.45080724553614704
Energy: 0.45053825589276303
Energy: 0.45711349178801836
Energy: 0.45679755925234133
Energy: 0.43642043099581695
Energy: 0.47430319355170475
Energy: 0.4165157317262935
Energy: 0.4166031906382379
Energy: 0.45717987940803995
Energy: 0.4168890989825714
Energy: 0.4168485239292483
Energy: 0.4499965617843283
Energy: 0.41642470798078085
Energy: 0.41658281487867976
Energy: 0.4485981929354461
Energy: 0.4271221968806119
Energy: 0.4498997391832833
Energy: 0.4517627739867261
Energy: 0.4494693139273302
Energy: 0.44588950511028747
Energy: 0.4501987358803099
Energy: 0.4528877385885938
Energy: 0.4466393798575219
Energy: 0.43992300383607374
Energy: 0.43482278658740287
Energy: 0.43435563909071695
Energy: 0.4360562556617757
Energy: 0.44438491475700115
Energy: 0.43443542407308733
Energy: 0.45782174878508075
Energy: 0.4497711991198854
Energy: 0.45018080989812836
Energy: 0.45586113654886296
Energy: 0.4496561460245474
Energy: 0.4528233100064576
Energy: 0.4686284913477362
Energy: 0.44722210455396394
Energy: 0.4457402721474687
Energy: 0.4443248052951082
Energy: 0.4487564173841225
Energy: 0.449103863601977
Energy: 0.4558473701263
Energy: 0.44992360695296846
Energy: 0.46595282576838487
Energy: 0.4559269871509363
Energy: 0.4503065145271277
Energy: 0.4587476998684287
Energy: 0.4581808476994307
Energy: 0.44681259652808564
Energy: 0.446714266181356
Energy: 0.4587331058768334
Energy: 0.4464157125884853
Energy: 0.44665759117510445
Energy: 0.4798400198589069
Energy: 0.4427716884358916
Energy: 0.45868990446753805
Energy: 0.4589955987705044
Energy: 0.447094138358234
Energy: 0.44932761546768957
Energy: 0.4163066060668728
Energy: 0.45007663431467626
Energy: 0.4493590005856939
Energy: 0.41775207129522374
Energy: 0.4601805691020956
Energy: 0.4735677261809796
Energy: 0.4190415642029297
Energy: 0.45369361196507885
Energy: 0.47409588357445726
Energy: 0.44345449060758646
Energy: 0.45985226287132663
Energy: 0.4739304941304017
Energy: 0.4811699618195816
Energy: 0.4533937272800612
Energy: 0.4463189413806463
Energy: 0.45665829524688184
Energy: 0.45723933016784757
Energy: 0.4515037907965176
Energy: 0.4570753724161425
Energy: 0.42046903761438803
Energy: 0.4193867135903078
Energy: 0.45719863527450993
Energy: 0.42511536299807895
Energy: 0.41962891956253284
Energy: 0.4508736015667592
Energy: 0.44425539818810494
Energy: 0.4471622948026275
Energy: 0.4490253446222206
Energy: 0.4454256369239169
Energy: 0.45150918762310016
Energy: 0.45106774906080327
Energy: 0.4344040748052617
Energy: 0.44699026841542794
Energy: 0.4457369183544609
Energy: 0.43560921800957947
Energy: 0.4518957832418121
Energy: 0.4507205291677703
Energy: 0.44967113172958983
Energy: 0.4353516352890474
Energy: 0.4464971222817171
Energy: 0.4495617782186947
Energy: 0.4347409597576958
Energy: 0.4564484517460709
Energy: 0.4506343444517746
Energy: 0.45024625326217427
Energy: 0.46505077332317335
Energy: 0.4496468128171316
Energy: 0.44971218210829017
Energy: 0.45634138290557047
Energy: 0.45064067260957885
Energy: 0.4515730014068496
Energy: 0.4754181822529423
Energy: 0.4505049723849007
Energy: 0.4506067394876253
Energy: 0.4572095181826809
Energy: 0.4547393539554171
Energy: 0.4727017830531425
Energy: 0.4575061751842496
Energy: 0.4536471450671372
Energy: 0.4470969861394384
Energy: 0.45433781921064
Energy: 0.448163753908371
Energy: 0.44907660852898407
Energy: 0.4544424162900957
Energy: 0.44793492892543907
Energy: 0.4448016239660124
Energy: 0.48157068743147713
Energy: 0.4528027636491693
Energy: 0.45535249153463975
Energy: 0.45612026091558316
Energy: 0.4568447372361468
Energy: 0.46499618451363545
Energy: 0.41670974934063726
Energy: 0.4537721100730002
Energy: 0.47401903759029707
Energy: 0.4438851221071903
Energy: 0.4598972635835637
Energy: 0.4739611218551931

minimum gb energy = 0.4163066060668728 eV
minimum distance =  2.68646091361757 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.40902076230100487
Energy: 0.4703261338881068
Energy: 0.4947724537706478
Energy: 0.44492376060459
Energy: 0.4905897410907889
Energy: 0.43305487033738466
Energy: 0.5309319579739594
Energy: 0.48847403789082483
Energy: 0.4891918020329307
Energy: 0.4894476139883629
Energy: 0.49024042052338274
Energy: 0.4573741415695904
Energy: 0.4514476940508409
Energy: 0.43302744773445495
Energy: 0.4331501994538546
Energy: 0.47598608377772356
Energy: 0.43307516286367376
Energy: 0.43328030482034063
Energy: 0.49166179853117703
Energy: 0.43299941215265414
Energy: 0.4327250413698307
Energy: 0.49236876398944784
Energy: 0.4272376773410914
Energy: 0.47547710931317144
Energy: 0.42587381052430257
Energy: 0.43424286915336413
Energy: 0.4342184957054125
Energy: 0.425683036078124
Energy: 0.44261135427250625
Energy: 0.4339532608460804
Energy: 0.43414529577085154
Energy: 0.42033067472283697
Energy: 0.4355078256002725
Energy: 0.4305985898000676
Energy: 0.42655101708447973
Energy: 0.42775482121545766
Energy: 0.419939328501707
Energy: 0.41904226248306703
Energy: 0.41932621593007047
Energy: 0.4200925837726829
Energy: 0.4221541453650888
Energy: 0.4230791682765807
Energy: 0.4199821918707244
Energy: 0.4276085642849936
Energy: 0.4276892882571895
Energy: 0.42775597065007037
Energy: 0.42746921821753997
Energy: 0.42418166599297064
Energy: 0.421137690041856
Energy: 0.42690939063521727
Energy: 0.42191168277137103
Energy: 0.4221960133779483
Energy: 0.4275439258553364
Energy: 0.4191934483778408
Energy: 0.42463431258892403
Energy: 0.4407094909441359
Energy: 0.4356704530460997
Energy: 0.424427994050985
Energy: 0.4400019365660269
Energy: 0.4360637112890018
Energy: 0.4988002888359577
Energy: 0.43468507504489884
Energy: 0.4341511002203953
Energy: 0.4343101510854151
Energy: 0.42542038287014977
Energy: 0.43414497267200863
Energy: 0.4246111181233479
Energy: 0.48886734976372437
Energy: 0.48889982023136047
Energy: 0.4247304200445377
Energy: 0.4917961671948096
Energy: 0.4889826993239968
Energy: 0.4247017952790207
Energy: 0.47553124444408057
Energy: 0.47735496764196333
Energy: 0.4341789818842934
Energy: 0.4753022483882864
Energy: 0.4907279139621955
Energy: 0.5611485843263256
Energy: 0.48957826659085435
Energy: 0.4518832759747511
Energy: 0.4901976889773015
Energy: 0.4897406688279823
Energy: 0.4517785055829839
Energy: 0.49196095129008094
Energy: 0.472601313139024
Energy: 0.4715851038062947
Energy: 0.47512558950731354
Energy: 0.4724442408297442
Energy: 0.4846748432360869
Energy: 0.47021041408657954
Energy: 0.5032172924148917
Energy: 0.45359136721467297
Energy: 0.4899857189008535
Energy: 0.5028439596665074
Energy: 0.48867623413924605
Energy: 0.40431785156699407
Energy: 0.4791343085388623
Energy: 0.5436489858015442
Energy: 0.44426163569159377
Energy: 0.48173936447956306
Energy: 0.5430936697481066

minimum gb energy = 0.40431785156699407 eV
minimum distance =  2.69207819664957 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.395511167369203
Energy: 0.5913630652699456
Energy: 0.45722969615592857
Energy: 0.4323987788570045
Energy: 0.6163635996015389
Energy: 0.4578443221592177
Energy: 0.4595176441647893
Energy: 0.4952085122417521
Energy: 0.41928104877724826
Energy: 0.4965951092569446
Energy: 0.4921033284257045
Energy: 0.45188689290312667
Energy: 0.5725554663810442
Energy: 0.4053371601389016
Energy: 0.43121099688941955
Energy: 0.4957109452311038
Energy: 0.4054979762121608
Energy: 0.4403542748886088
Energy: 0.49345564144509185
Energy: 0.43942750467820924
Energy: 0.4397481543616312
Energy: 0.4944101504333585
Energy: 0.40961435782911015
Energy: 0.439316135627331
Energy: 0.4234362470227944
Energy: 0.41850719361293753
Energy: 0.4270185409618325
Energy: 0.4236870744245154
Energy: 0.41839856247043145
Energy: 0.41832822638026174
Energy: 0.3788844425009181
Energy: 0.4172225099154947
Energy: 0.4031475206588388
Energy: 0.40485334255846583
Energy: 0.417082611782587
Energy: 0.4031321740152046
Energy: 0.3855274068110158
Energy: 0.4220177128035951
Energy: 0.41664088472406474
Energy: 0.39939610290993555
Energy: 0.41926280339257055
Energy: 0.4060253784219602
Energy: 0.3892372191036587
Energy: 0.39335644240086626
Energy: 0.39777309238811426
Energy: 0.4010599212170356
Energy: 0.3932560311144717
Energy: 0.3980580956743795
Energy: 0.38659719206943377
Energy: 0.3965373265281925
Energy: 0.3868652224397673
Energy: 0.387589399307504
Energy: 0.3922226410837594
Energy: 0.38560381186979786
Energy: 0.38596735727083625
Energy: 0.3947680913906671
Energy: 0.39473530673296586
Energy: 0.3861943896143939
Energy: 0.3942877208649886
Energy: 0.3946284125443558
Energy: 0.41685244817295247
Energy: 0.38652066072363944
Energy: 0.39410179277112367
Energy: 0.39374952478416697
Energy: 0.3860874440529055
Energy: 0.3940905443872724
Energy: 0.38806351159852337
Energy: 0.39248775931978996
Energy: 0.3856044457958059
Energy: 0.39387625045284813
Energy: 0.38984407346599964
Energy: 0.3975236316252636
Energy: 0.3945021172581657
Energy: 0.4098941456397435
Energy: 0.39898563262803644
Energy: 0.3979212729733786
Energy: 0.3975088512999363
Energy: 0.39876954554824284
Energy: 0.4167738115659451
Energy: 0.398578687872518
Energy: 0.3982509902368056
Energy: 0.41773234141821114
Energy: 0.4025628485777431
Energy: 0.41658635282454803
Energy: 0.4171526218086501
Energy: 0.4021624859765252
Energy: 0.40192116618064877
Energy: 0.4168536100487879
Energy: 0.3991581919241013
Energy: 0.42015387544791655
Energy: 0.5410432567084694
Energy: 0.42462677476115585
Energy: 0.42503616313823844
Energy: 0.4173552788855442
Energy: 0.4239997904476767
Energy: 0.42509708740596425
Energy: 0.3859972439007223
Energy: 0.49060084690197975
Energy: 0.4913234500737729
Energy: 0.3985745846724583
Energy: 0.4960702577144536
Energy: 0.41622908781112333
Energy: 0.38650568955564923
Energy: 0.49102888342679624
Energy: 0.4869076445018357
Energy: 0.39287419322348643
Energy: 0.4953903630579845
Energy: 0.42486407110193103
Energy: 0.5467399157887272
Energy: 0.4908565243301786
Energy: 0.45479673266790704
Energy: 0.49161218969472276
Energy: 0.43303690556313856
Energy: 0.4248750115401202
Energy: 0.5691065658402114
Energy: 0.43040988157894167
Energy: 0.43046346468563795
Energy: 0.5014184300957057
Energy: 0.42993694458089016
Energy: 0.4586104802041291
Energy: 0.5711386345906996
Energy: 0.4914028036505924
Energy: 0.4188099546002902
Energy: 0.4922401789061246
Energy: 0.4962316288048751
Energy: 0.4909601451475109
Energy: 0.39301820724519543
Energy: 0.4816087663144984
Energy: 0.503499308030179
Energy: 0.43962130081776657
Energy: 0.49740048393564806
Energy: 0.4400826684151255
Energy: 0.39461409999076535
Energy: 0.4957507068294369
Energy: 0.49147609744128745
Energy: 0.4006298194257246
Energy: 0.4940015501257601
Energy: 0.47467841608338224
Energy: 0.5690996149331599
Energy: 0.43383152952663023
Energy: 0.4185181307364144
Energy: 0.49203142128574173
Energy: 0.4010612002919489
Energy: 0.49095881860588975
Energy: 0.5001314862109555
Energy: 0.40977946607419846
Energy: 0.4312175975352169
Energy: 0.4915426643256267
Energy: 0.4090987702326343
Energy: 0.44107011601760343
Energy: 0.4247701957352581
Energy: 0.4189046069666128
Energy: 0.42459237379726045
Energy: 0.4249905318988767
Energy: 0.41990914765675985
Energy: 0.42382080387838744
Energy: 0.3787799941853262
Energy: 0.42861519733209336
Energy: 0.42586235534329053
Energy: 0.40492195476647586
Energy: 0.4287683738589819
Energy: 0.4034297522346849
Energy: 0.41616082314164127
Energy: 0.42145629821795855
Energy: 0.4158339853834447
Energy: 0.4164297256655281
Energy: 0.4185133565675529
Energy: 0.4159444882383183
Energy: 0.3887829822363012
Energy: 0.3979707410178841
Energy: 0.4008316385287398
Energy: 0.3966239045143333
Energy: 0.39316443733239487
Energy: 0.4002310941502444
Energy: 0.38566897907451686
Energy: 0.3930593391727445
Energy: 0.3986633432755087
Energy: 0.3944097848022756
Energy: 0.39284778675248544
Energy: 0.4003018329425267
Energy: 0.38973034376122595
Energy: 0.39326673586110983
Energy: 0.3933330604629225
Energy: 0.3904252012808385
Energy: 0.3925173063788984
Energy: 0.39086691589415906
Energy: 0.3954643318278473
Energy: 0.3929807603007445
Energy: 0.3933677913475894
Energy: 0.39304518010688483
Energy: 0.39300888031841535
Energy: 0.3934475034149313
Energy: 0.39197123427680336
Energy: 0.39058375768818393
Energy: 0.3852141016522547
Energy: 0.39235218602808036
Energy: 0.3870686303323951
Energy: 0.3853447065895728
Energy: 0.38712586218324774
Energy: 0.40159328092357593
Energy: 0.39793631154647197
Energy: 0.3971471528040365
Energy: 0.3982354815699289
Energy: 0.39812158277482596
Energy: 0.42167354933248236
Energy: 0.39694256630801045
Energy: 0.39767256254613265
Energy: 0.4224144717840847
Energy: 0.39687263112545923
Energy: 0.39861127984962763
Energy: 0.42233069996955724
Energy: 0.3988638613509371
Energy: 0.4251051249709669
Energy: 0.4232496906466899
Energy: 0.39867012656640416
Energy: 0.41747724747506915
Energy: 0.533186820016939
Energy: 0.4174807019230701
Energy: 0.41845485197288695
Energy: 0.4198102747276787
Energy: 0.3961109245468518
Energy: 0.42558418329986086
Energy: 0.3900310516379355
Energy: 0.4951990637605355
Energy: 0.42538592733615715
Energy: 0.4330877990610278
Energy: 0.4919214527642047
Energy: 0.4253009707272609
Energy: 0.38616675410329626
Energy: 0.4609775451576497
Energy: 0.4300862423922391
Energy: 0.4205924855364261
Energy: 0.48386356675094394
Energy: 0.4298311431577637
Energy: 0.48117786366788595
Energy: 0.49614929603650937
Energy: 0.4910443518423049
Energy: 0.4246480360381209
Energy: 0.4931274168359993
Energy: 0.4533441269247802
Energy: 0.5494577487557678
Energy: 0.42639053276197025
Energy: 0.46198844695581903
Energy: 0.4916918263101134
Energy: 0.4233588325150544
Energy: 0.47984262440888065
Energy: 0.5701094356308337
Energy: 0.45756953855276433
Energy: 0.41968490948161663
Energy: 0.4926915170011456
Energy: 0.42342399527044766
Energy: 0.49120662986316105
Energy: 0.39554844975708575
Energy: 0.495444256726579
Energy: 0.48789449887818714
Energy: 0.39803499684416255
Energy: 0.49320570678241316
Energy: 0.4747860318230769

minimum gb energy = 0.3787799941853262 eV
minimum distance =  2.66893801561233 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.36415682180521897
Energy: 0.5621370510677313
Energy: 0.44052396215846834
Energy: 0.38490704128670394
Energy: 0.5783851952171334
Energy: 0.43738901655242557
Energy: 0.5081386889529058
Energy: 0.4047977945748753
Energy: 0.4021040056298157
Energy: 0.48696939845704346
Energy: 0.48110580209760606
Energy: 0.3991983304036925
Energy: 0.5512033893152197
Energy: 0.384170302350255
Energy: 0.38433041878031887
Energy: 0.48620368760225147
Energy: 0.3841811222477199
Energy: 0.42729510819605965
Energy: 0.4822118097442607
Energy: 0.3852346488433715
Energy: 0.4300266609957198
Energy: 0.4827551249819575
Energy: 0.4127171862267698
Energy: 0.44602023673934865
Energy: 0.40793473368286165
Energy: 0.4219804737565384
Energy: 0.40142528000690925
Energy: 0.406819612475951
Energy: 0.4136131262416693
Energy: 0.4036746405663579
Energy: 0.3549204684461252
Energy: 0.4120844233499271
Energy: 0.3836795594123667
Energy: 0.371549866848085
Energy: 0.4221811414994109
Energy: 0.3843071438484438
Energy: 0.47208244052781495
Energy: 0.4172590472740184
Energy: 0.41994946822121276
Energy: 0.38198121091031584
Energy: 0.41459605424900986
Energy: 0.3932547615289579
Energy: 0.4893674060198975
Energy: 0.3669765969203462
Energy: 0.3674728037189819
Energy: 0.3823931175168411
Energy: 0.36656971295980834
Energy: 0.3749291089465998
Energy: 0.37743321042393724
Energy: 0.383101406178246
Energy: 0.3752466334888247
Energy: 0.37814503500792684
Energy: 0.3797770648156874
Energy: 0.374589191058319
Energy: 0.385396441884089
Energy: 0.36521792894988825
Energy: 0.365222937394264
Energy: 0.3855337377116468
Energy: 0.36532429855094634
Energy: 0.36485897519509286
Energy: 0.3625100001853035
Energy: 0.35881488243978144
Energy: 0.3695840900411841
Energy: 0.3619710970068154
Energy: 0.36821463137181115
Energy: 0.3670477037241828
Energy: 0.3781906039707995
Energy: 0.3648092507797148
Energy: 0.3675160048578992
Energy: 0.36751211920826843
Energy: 0.3618569614834884
Energy: 0.3658028474227953
Energy: 0.3590917768901919
Energy: 0.36757414663003846
Energy: 0.36714207563394197
Energy: 0.3668883062260084
Energy: 0.36986380572151834
Energy: 0.36665716375105034
Energy: 0.35969187292829324
Energy: 0.3637603429083633
Energy: 0.35887144882859606
Energy: 0.3608528698592274
Energy: 0.37193223558721794
Energy: 0.3688683255220962
Energy: 0.35877774533139806
Energy: 0.36889940391815407
Energy: 0.36766299233339456
Energy: 0.35873545089902664
Energy: 0.3685279559730296
Energy: 0.36301985457355607
Energy: 0.44501117211464347
Energy: 0.3836471442676868
Energy: 0.3669488297394885
Energy: 0.36752196146323685
Energy: 0.3828743737468045
Energy: 0.36695648429330596
Energy: 0.3596820952594101
Energy: 0.38270309838432687
Energy: 0.37506355255465823
Energy: 0.3866662508634293
Energy: 0.3805966447668046
Energy: 0.38313735087649636
Energy: 0.36080452041558214
Energy: 0.38033740430790036
Energy: 0.3806088895446171
Energy: 0.36155137732275144
Energy: 0.3832495554828261
Energy: 0.3793899888441871
Energy: 0.4120157098862633
Energy: 0.38298021582353764
Energy: 0.40066458690461165
Energy: 0.4127365462742196
Energy: 0.38733492868135716
Energy: 0.4205314355021424
Energy: 0.46789490244358134
Energy: 0.3854164935114407
Energy: 0.38573037788762204
Energy: 0.4154928524042263
Energy: 0.38438757829357967
Energy: 0.40201002275129466
Energy: 0.5193618141699691
Energy: 0.41188731236314563
Energy: 0.4127000759161141
Energy: 0.4138330944349054
Energy: 0.41597482874328723
Energy: 0.3998475665397717
Energy: 0.3593168609876211
Energy: 0.45472664829518017
Energy: 0.41149130214048185
Energy: 0.37728877390498033
Energy: 0.487037251731928
Energy: 0.4015481489390757
Energy: 0.42013296256860444
Energy: 0.4845229892894187
Energy: 0.4732863628608077
Energy: 0.3854171071865041
Energy: 0.48258165043181195
Energy: 0.45033002426173835
Energy: 0.5259902074676118
Energy: 0.4117355666198874
Energy: 0.4053931360419201
Energy: 0.4392481228702644
Energy: 0.41275995628789525
Energy: 0.4026231969778963
Energy: 0.5614790774023937
Energy: 0.40383376838027624
Energy: 0.40448714852427115
Energy: 0.47370147822002395
Energy: 0.40279891983148053
Energy: 0.4584560285347465
Energy: 0.5552406365587371
Energy: 0.44250279254204694
Energy: 0.4451651613096314
Energy: 0.4841785422546688
Energy: 0.48325373833632485
Energy: 0.40095801063368686
Energy: 0.4088349992268336
Energy: 0.45563471367391256
Energy: 0.43814957228373735
Energy: 0.38722809409316733
Energy: 0.47236624787801423
Energy: 0.4294121551877574

minimum gb energy = 0.3549204684461252 eV
minimum distance =  2.66234729551476 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.3164034932529976
Energy: 0.4156363005258284
Energy: 0.40106615819317115
Energy: 0.33401726600192233
Energy: 0.41759076850080207
Energy: 0.33703916147440693
Energy: 0.43913766061091697
Energy: 0.3363905563571327
Energy: 0.337149977248272
Energy: 0.3978424738359001
Energy: 0.36111008449917736
Energy: 0.33165517253510324
Energy: 0.48026962689788444
Energy: 0.3223164017694905
Energy: 0.3335947026136602
Energy: 0.4006020181810173
Energy: 0.3219381756544886
Energy: 0.33321431931993756
Energy: 0.41475067103341734
Energy: 0.33323682789475306
Energy: 0.34539537598327935
Energy: 0.3639992200824549
Energy: 0.33996077060857416
Energy: 0.3760674870476203
Energy: 0.39371788755226583
Energy: 0.34203341326945474
Energy: 0.33631439603352903
Energy: 0.35635973020345685
Energy: 0.3765588784770169
Energy: 0.3373138850751102
Energy: 0.3055603853998843
Energy: 0.3727935367798645
Energy: 0.3264013273370726
Energy: 0.312576778521492
Energy: 0.372442278593938
Energy: 0.3252615041455561
Energy: 0.41535253214182477
Energy: 0.3730181669599684
Energy: 0.37265493696289054
Energy: 0.31899996827987026
Energy: 0.37672007832479437
Energy: 0.31706896824715264
Energy: 0.4331885910122505
Energy: 0.30803891565224584
Energy: 0.3134611354233017
Energy: 0.33493863017026826
Energy: 0.30805505650938686
Energy: 0.3134532938571854
Energy: 0.3416828401212077
Energy: 0.3129174255256202
Energy: 0.34013554561846915
Energy: 0.34258920582748126
Energy: 0.31421322789845624
Energy: 0.3400771925585597
Energy: 0.34050171707333715
Energy: 0.30820582845239086
Energy: 0.30809365050637844
Energy: 0.34051587749046835
Energy: 0.30785586288155675
Energy: 0.3075856350752537
Energy: 0.302089693528967
Energy: 0.32031791436792945
Energy: 0.3057973239846324
Energy: 0.3051378073021556
Energy: 0.32022715871206686
Energy: 0.30448960383529333
Energy: 0.34356838745558466
Energy: 0.32038766470239965
Energy: 0.32034787997069064
Energy: 0.3045515608229817
Energy: 0.3242476914283603
Energy: 0.30406148053296084
Energy: 0.4117275451922449
Energy: 0.3176879536707597
Energy: 0.31901395446627945
Energy: 0.32572412787327276
Energy: 0.3028160142668481
Energy: 0.325841684744671
Energy: 0.3087611147593342
Energy: 0.3096149043485429
Energy: 0.3086163797172056
Energy: 0.30977928363513274
Energy: 0.3036512643765313
Energy: 0.3086590517439832
Energy: 0.3085341694278937
Energy: 0.2997871030195558
Energy: 0.3007003534975571
Energy: 0.30855612162973695
Energy: 0.2997538684374224
Energy: 0.300423018176025
Energy: 0.30514648270582617
Energy: 0.30336697050734784
Energy: 0.3039817828738461
Energy: 0.29858175866957043
Energy: 0.3032438675407128
Energy: 0.29916690608350505
Energy: 0.3105593720346051
Energy: 0.30327201653098823
Energy: 0.3034793171022647
Energy: 0.30002467815060185
Energy: 0.3032474994443129
Energy: 0.3016255948899846
Energy: 0.3032067579606976
Energy: 0.3010739113234719
Energy: 0.3009799549339412
Energy: 0.3034816993405223
Energy: 0.30155018388690336
Energy: 0.30077499965001986
Energy: 0.30309461550267824
Energy: 0.3065673193351536
Energy: 0.30346309553887246
Energy: 0.3042180301814733
Energy: 0.33808089211528297
Energy: 0.3032540207164398
Energy: 0.3037391080897747
Energy: 0.30395253045207926
Energy: 0.30377838470580526
Energy: 0.30407273940987034
Energy: 0.304855794345874
Energy: 0.3039088075640183
Energy: 0.3220621516270472
Energy: 0.30871456070108166
Energy: 0.30859813196265473
Energy: 0.30567909450130865
Energy: 0.308627441811116
Energy: 0.3044555832116475
Energy: 0.3040175619093113
Energy: 0.3086160342309171
Energy: 0.3089848264482893
Energy: 0.3008351306255613
Energy: 0.308760897179925
Energy: 0.30116626895649623
Energy: 0.3203630999468511
Energy: 0.30257762718427245
Energy: 0.3023519179964388
Energy: 0.3201825650946625
Energy: 0.3020677621679993
Energy: 0.3018948813448385
Energy: 0.32056315725213014
Energy: 0.318070296676555
Energy: 0.3199834124910293
Energy: 0.32152833919310386
Energy: 0.30705405098313443
Energy: 0.3201937211437819
Energy: 0.42087936055315045
Energy: 0.3213355367798224
Energy: 0.3069480685974979
Energy: 0.34595646870892205
Energy: 0.30517364362305527
Energy: 0.32581208757760366
Energy: 0.39046312109782294
Energy: 0.34025595869704856
Energy: 0.3402486123400167
Energy: 0.30725426010262086
Energy: 0.34053925062859924
Energy: 0.3060114797593018
Energy: 0.3036985654354087
Energy: 0.34008599105903714
Energy: 0.3178972858757705
Energy: 0.3083845032029121
Energy: 0.34006729505233924
Energy: 0.31113226339696
Energy: 0.35678090006381236
Energy: 0.31849737293269914
Energy: 0.3190354716891149
Energy: 0.3516625076826715
Energy: 0.3352524011637784
Energy: 0.3173640124601894
Energy: 0.3738281968919378
Energy: 0.3230045998481472
Energy: 0.3723880361426199
Energy: 0.37483606366301725
Energy: 0.31656871508118517
Energy: 0.37237285178948437
Energy: 0.45142132956507397
Energy: 0.315244865529245
Energy: 0.32336865125646885
Energy: 0.37542240551914957
Energy: 0.31523118975200265
Energy: 0.3231416782824552
Energy: 0.44950836151315393
Energy: 0.36198571019817233
Energy: 0.3605707426822226
Energy: 0.34035541139818504
Energy: 0.3622363305842351
Energy: 0.36020224158640873
Energy: 0.34388780196788793
Energy: 0.39317315901721683
Energy: 0.3629235415855884
Energy: 0.32128920006908324
Energy: 0.3988544796323941
Energy: 0.3369961568724581
Energy: 0.4139672329610906
Energy: 0.371423024982844
Energy: 0.3678836420007673
Energy: 0.3729720810517766
Energy: 0.3703917846233765
Energy: 0.3640601282471424
Energy: 0.44907039989954883
Energy: 0.3451439350192669
Energy: 0.3565604625749995
Energy: 0.3639838015470394
Energy: 0.3588369939746715
Energy: 0.3909765878236776
Energy: 0.4807120156806975
Energy: 0.33441641048984067
Energy: 0.3501929282348392
Energy: 0.3997692835610347
Energy: 0.3340276177115751
Energy: 0.367595729493712
Energy: 0.43917859554018013
Energy: 0.3714770173621649
Energy: 0.3675764622982128
Energy: 0.3697834795206537
Energy: 0.370349666209054
Energy: 0.3343373477560494

minimum gb energy = 0.29858175866957043 eV
minimum distance =  2.6815278669841 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.014634596498388008
Energy: 0.015754502412992148
Energy: 0.015038928240200812
Energy: 0.016228274517088748
Energy: 0.015494567048587597
Energy: 0.015135587049643413
Energy: 0.03742682568437814
Energy: 0.015460943996324568
Energy: 0.015479550187363605
Energy: 0.03757667309339653
Energy: 0.01636753610881007
Energy: 0.015506452686557409
Energy: 0.03638954039584725
Energy: 0.01513309403994072
Energy: 0.015314572158003817
Energy: 0.03665595549454283
Energy: 0.015048252321910574
Energy: 0.03675432063552058
Energy: 0.017052872954564938
Energy: 0.015134781108125134
Energy: 0.015428005066825746
Energy: 0.018199025628202522
Energy: 0.015167656692918832
Energy: 0.037050840041309284
Energy: 0.036706327322774394
Energy: 0.03644203752399268
Energy: 0.036519743989913506
Energy: 0.037331789639790336
Energy: 0.03643094062167757
Energy: 0.037199529763769834
Energy: 0.015419005459134253
Energy: 0.015522246714009744
Energy: 0.0151087355481543
Energy: 0.01636737321302025
Energy: 0.015426910553190842
Energy: 0.01514303308388383
Energy: 0.037773603366474284
Energy: 0.015516458751983618
Energy: 0.015639290563612768
Energy: 0.03637181615235349
Energy: 0.015322596817383747
Energy: 0.01565176494531607
Energy: 0.036389073342710326
Energy: 0.015051840808378954
Energy: 0.01518440699281108
Energy: 0.03656833325283967
Energy: 0.015074010254039476
Energy: 0.03814971527756769
Energy: 0.015862013163671945
Energy: 0.01525410844560921
Energy: 0.03827961259578904
Energy: 0.017343789743987686
Energy: 0.015110018790999153
Energy: 0.03791869517742507
Energy: 0.014932001150643078
Energy: 0.03637403893829049
Energy: 0.03652531590108458
Energy: 0.01547279032381869
Energy: 0.036504348990523516
Energy: 0.03646639940182171

minimum gb energy = 0.014634596498388008 eV
minimum distance =  2.84210833951118 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.3904831061307887
Energy: 0.38210054712960423
Energy: 0.41054192496902114
Energy: 0.3355392795832518
Energy: 0.3823279298769217
Energy: 0.33916088391754456
Energy: 0.4048936649421759
Energy: 0.36365777455289877
Energy: 0.3638026120400153
Energy: 0.3651099780020765
Energy: 0.3665539484105217
Energy: 0.36726202103199046
Energy: 0.40021472628171423
Energy: 0.36097523818853305
Energy: 0.32200251110753536
Energy: 0.3899433332903352
Energy: 0.3245375662426337
Energy: 0.3887356611054765
Energy: 0.36644191129366444
Energy: 0.32613981046562035
Energy: 0.32627086633891905
Energy: 0.36596216905463486
Energy: 0.32440070733802767
Energy: 0.34215630550716086
Energy: 0.3316385957832024
Energy: 0.3669719264817719
Energy: 0.3656329357970989
Energy: 0.3313021269778739
Energy: 0.366350444947452
Energy: 0.3650038062653011
Energy: 0.30742145069992943
Energy: 0.3505130712824163
Energy: 0.3568558205804257
Energy: 0.30631762293256476
Energy: 0.34768509370598916
Energy: 0.3238752616152731
Energy: 0.3749478085412328
Energy: 0.3399296064085049
Energy: 0.3367724445603944
Energy: 0.37471467879230025
Energy: 0.33982834188500666
Energy: 0.37635489640013475
Energy: 0.3631703737148915
Energy: 0.30939014263780057
Energy: 0.33243997915467416
Energy: 0.36306974478988924
Energy: 0.29154920701266696
Energy: 0.33173800169495465
Energy: 0.31217975188438607
Energy: 0.3609590185428849
Energy: 0.3795286146775599
Energy: 0.37962540706513304
Energy: 0.3087829859746238
Energy: 0.37927173274877646
Energy: 0.31241411687126414
Energy: 0.3383227937607819
Energy: 0.3374590459843719
Energy: 0.31284850936211067
Energy: 0.3386333748917827
Energy: 0.33675386682984126
Energy: 0.29517217853603156
Energy: 0.3388193656637407
Energy: 0.33792827846922247
Energy: 0.2969924111192938
Energy: 0.2998844664072897
Energy: 0.3364207133545433
Energy: 0.3151907199024351
Energy: 0.37106221889700464
Energy: 0.3716129849361109
Energy: 0.31543819942617096
Energy: 0.307582823946418
Energy: 0.312192186111298
Energy: 0.3230629104351937
Energy: 0.3174452513201943
Energy: 0.3530996575480832
Energy: 0.31465571756919797
Energy: 0.28920364255900965
Energy: 0.3189751584415882
Energy: 0.2893332567829846
Energy: 0.3322571982695206
Energy: 0.3548733038362355
Energy: 0.31476320002089664
Energy: 0.29584924516437117
Energy: 0.35525552912100516
Energy: 0.3148338748704732
Energy: 0.29633797044153104
Energy: 0.2958608946088151
Energy: 0.28773910479228415
Energy: 0.3008897656397947
Energy: 0.29582912370047626
Energy: 0.2883183495961112
Energy: 0.34427582458875466
Energy: 0.34488412489907555
Energy: 0.2899741330974912
Energy: 0.352360451512942
Energy: 0.3449844133012843
Energy: 0.28993427297314867
Energy: 0.3461299433695456
Energy: 0.31756170223766167
Energy: 0.2904010068925963
Energy: 0.29746543862465924
Energy: 0.2870328167415936
Energy: 0.2874985994169389
Energy: 0.33997116270707306
Energy: 0.3427221704559901
Energy: 0.2876265420550629
Energy: 0.288727174495475
Energy: 0.2898857409753551
Energy: 0.3256675699303455
Energy: 0.28864504043026334
Energy: 0.33643059363900496
Energy: 0.289758213428464
Energy: 0.2883229206266257
Energy: 0.3463646672123009
Energy: 0.35244109006893315
Energy: 0.28788464200426767
Energy: 0.28685473585404797
Energy: 0.35236016695968336
Energy: 0.29053672764597027
Energy: 0.2869521443082671
Energy: 0.35046953734713077
Energy: 0.34492259620131255
Energy: 0.34534945237129655
Energy: 0.2971279519789259
Energy: 0.344893897700337
Energy: 0.34486770795992966
Energy: 0.3005173307300873
Energy: 0.3450378840754027
Energy: 0.2983928450836538
Energy: 0.30116795075777014
Energy: 0.34407348114533887
Energy: 0.2970205350332189
Energy: 0.29529656880073185
Energy: 0.3565671726863229
Energy: 0.35689906513557795
Energy: 0.2952551589364963
Energy: 0.35743350479325964
Energy: 0.3571214015668283
Energy: 0.2910564364744396
Energy: 0.3183598739790864
Energy: 0.3198121515891256
Energy: 0.29094067741928614
Energy: 0.31616719882903593
Energy: 0.34457994455660534
Energy: 0.296736817268356
Energy: 0.314079721800115
Energy: 0.3123715267741114
Energy: 0.29602374451992136
Energy: 0.31488939834650076
Energy: 0.31203820275943056
Energy: 0.2963537368015337
Energy: 0.3024524379276866
Energy: 0.3572058225621516
Energy: 0.29744406015028524
Energy: 0.32083779684700997
Energy: 0.3368812347939975
Energy: 0.3384080554175947
Energy: 0.3568105701343143
Energy: 0.3406044272174846
Energy: 0.33820019123779177
Energy: 0.30162825944618205
Energy: 0.33702186165354353
Energy: 0.32094108235399366
Energy: 0.3507154775242468
Energy: 0.3481874727447446
Energy: 0.32096647714999293
Energy: 0.35108354596007857
Energy: 0.3478434966132371
Energy: 0.30200436602768
Energy: 0.36410883565612545
Energy: 0.34947354174465256
Energy: 0.3041289499209166
Energy: 0.3637962340129704
Energy: 0.31799673549634533
Energy: 0.3407708739477966
Energy: 0.35150447629653503
Energy: 0.36531575456578663
Energy: 0.34098938198118145
Energy: 0.38944372640827574
Energy: 0.3838519716705487
Energy: 0.3341852362774413
Energy: 0.31797862960893036
Energy: 0.34009478713773456
Energy: 0.3351076372078011
Energy: 0.2956364807684201
Energy: 0.3412332990890075
Energy: 0.39930000165033913
Energy: 0.36763852011584613
Energy: 0.3251009530743481
Energy: 0.3659555677845743
Energy: 0.3164166642517011
Energy: 0.3353463317639573
Energy: 0.3402636402706849
Energy: 0.36416115186443976
Energy: 0.36389885206078
Energy: 0.3403761414823019
Energy: 0.3664411715478019
Energy: 0.3484200186686228

minimum gb energy = 0.28685473585404797 eV
minimum distance =  2.67153742456356 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.41702307929051213
Energy: 0.4706393281114921
Energy: 0.4509461843419687
Energy: 0.3711405793127223
Energy: 0.4805652710663932
Energy: 0.4608626755757846
Energy: 0.47417773695954124
Energy: 0.42645815415223165
Energy: 0.4276369268175086
Energy: 0.425171016259335
Energy: 0.4253309258684991
Energy: 0.3926178725349388
Energy: 0.46830396808329905
Energy: 0.39012325510836593
Energy: 0.38987111386143375
Energy: 0.45996043781868273
Energy: 0.38732791623969476
Energy: 0.4243585939586031
Energy: 0.4293337226547186
Energy: 0.42759089324285576
Energy: 0.3884107904682136
Energy: 0.430050605433773
Energy: 0.4054229657289456
Energy: 0.38928155326604247
Energy: 0.42459385715919246
Energy: 0.4265865781113513
Energy: 0.4172910573853442
Energy: 0.42480995787722214
Energy: 0.42694407128792844
Energy: 0.41761542339770413
Energy: 0.36358230537171243
Energy: 0.41869638881444554
Energy: 0.42718575748459586
Energy: 0.3888181154764001
Energy: 0.4184261369779837
Energy: 0.42698295378470547
Energy: 0.4294362924453219
Energy: 0.39150940190528766
Energy: 0.39127352293983236
Energy: 0.4284819719923945
Energy: 0.39079267936998136
Energy: 0.38942031320355563
Energy: 0.43255318043033925
Energy: 0.36585268412982225
Energy: 0.40536585066815045
Energy: 0.4331453905571567
Energy: 0.36311208018824165
Energy: 0.42783759652962594
Energy: 0.3675461622446738
Energy: 0.40892981272309703
Energy: 0.4067047211522047
Energy: 0.39061019583844236
Energy: 0.3863651495801785
Energy: 0.46311263241913286
Energy: 0.3624731609320201
Energy: 0.39142383895415034
Energy: 0.39411162803218147
Energy: 0.3628450173105869
Energy: 0.3885178943176696
Energy: 0.38666263009935087
Energy: 0.36346404364493634
Energy: 0.3923292678797419
Energy: 0.38971878542699384
Energy: 0.363517688957293
Energy: 0.38024112654954745
Energy: 0.4410190206229225
Energy: 0.36582354556442565
Energy: 0.4340892047348595
Energy: 0.43619529392356726
Energy: 0.36655375538587404
Energy: 0.405687951023816
Energy: 0.3618058068092672
Energy: 0.36632230927921766
Energy: 0.3673849387422371
Energy: 0.404782728594751
Energy: 0.367110712655692
Energy: 0.36412866340351646
Energy: 0.3618260489234962
Energy: 0.38085354128829374
Energy: 0.3750749120462795
Energy: 0.4036410079318263
Energy: 0.36325074223327514
Energy: 0.36419745272100906
Energy: 0.4300746747423602
Energy: 0.40207075789114627
Energy: 0.3659853686467308
Energy: 0.36877778612388923
Energy: 0.40134654831426747
Energy: 0.3628478722375412
Energy: 0.36172436350494536
Energy: 0.39720483805803636
Energy: 0.4042678100909557
Energy: 0.4363995990517244
Energy: 0.38840403233328846
Energy: 0.3624114897018636
Energy: 0.4346857258637296
Energy: 0.38952351108314215
Energy: 0.3598733690279508
Energy: 0.40517744057858374
Energy: 0.3902376581297343
Energy: 0.356940000505125
Energy: 0.38739908404555395
Energy: 0.39251471644660185
Energy: 0.40697428441958905
Energy: 0.4076381151813942
Energy: 0.3933533028742521
Energy: 0.40646552504478894
Energy: 0.386837249630821
Energy: 0.35595771969205575
Energy: 0.3655732225330992
Energy: 0.4088057972037034
Energy: 0.36964006490233886
Energy: 0.4053448704779661
Energy: 0.40823385047211375
Energy: 0.3868697211223068
Energy: 0.43255708332160536
Energy: 0.39140689847436505
Energy: 0.38702898940469693
Energy: 0.4297827598436953
Energy: 0.3918190332333718
Energy: 0.3931851707591744
Energy: 0.40924490696412624
Energy: 0.3744791323196085
Energy: 0.39248221935281596
Energy: 0.37158227481344164
Energy: 0.36784854176827736
Energy: 0.46793556058127156
Energy: 0.37248828198513706
Energy: 0.37321087228636907
Energy: 0.46203013176557656
Energy: 0.36978269220536025
Energy: 0.41273062049792547
Energy: 0.4599645323859516
Energy: 0.4326868934246299
Energy: 0.4256926231200631
Energy: 0.4577418760878331
Energy: 0.43041324361050975
Energy: 0.390848049201828

minimum gb energy = 0.35595771969205575 eV
minimum distance =  2.66438025040693 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.49193663592134784
Energy: 0.4553075854481278
Energy: 0.4766559498262356
Energy: 0.42072252088675977
Energy: 0.45530697714481133
Energy: 0.500922214358383
Energy: 0.5299203268807211
Energy: 0.4578237539308316
Energy: 0.4592126389634484
Energy: 0.4587311409669647
Energy: 0.4586006943228343
Energy: 0.41378457541412084
Energy: 0.5287422423410013
Energy: 0.453728269469584
Energy: 0.4297301326783035
Energy: 0.5421512842108195
Energy: 0.45676152809575926
Energy: 0.4584586939155194
Energy: 0.45716658077070116
Energy: 0.45405306323702443
Energy: 0.4303420696887816
Energy: 0.45820947543697454
Energy: 0.43018622954101693
Energy: 0.41380496027534286
Energy: 0.4558077045077576
Energy: 0.45767155797364445
Energy: 0.41355087255121287
Energy: 0.45574627965246756
Energy: 0.4580858686133982
Energy: 0.4146897746719227
Energy: 0.40537216890130634
Energy: 0.4062294211041934
Energy: 0.40738082655897984
Energy: 0.40766640625069706
Energy: 0.4062933823727857
Energy: 0.45698507946682215
Energy: 0.45634856500583537
Energy: 0.40804900199961364
Energy: 0.40666209544013343
Energy: 0.45654539214189305
Energy: 0.4083817800923781
Energy: 0.41325914158825844
Energy: 0.45949240576550404
Energy: 0.4058094546095819
Energy: 0.4306299689228933
Energy: 0.4602868294897425
Energy: 0.4082057291023626
Energy: 0.45697160921193036
Energy: 0.4068801684367946
Energy: 0.45660055105231545
Energy: 0.41325711910038915
Energy: 0.413485558365795
Energy: 0.40603776251060353
Energy: 0.41281664208830154
Energy: 0.40652735536028245
Energy: 0.4106724433364368
Energy: 0.40592176093363913
Energy: 0.40791231149084245
Energy: 0.407396497049537
Energy: 0.4062030135259184
Energy: 0.4336249968708973
Energy: 0.4185450393316127
Energy: 0.40646479584436
Energy: 0.4080384492724072
Energy: 0.4065498076085658
Energy: 0.4064893553343966
Energy: 0.4055594634169802
Energy: 0.43879480767157464
Energy: 0.4060253454007291
Energy: 0.40565893642638445
Energy: 0.4181605485572429
Energy: 0.40594055762332404
Energy: 0.40562535966337226
Energy: 0.41292251830897936
Energy: 0.4062963489987106
Energy: 0.40577574041777476
Energy: 0.4130698693413329
Energy: 0.4058647793081803
Energy: 0.3928370010747028
Energy: 0.4117890103087144
Energy: 0.41323076961125765
Energy: 0.39436319166176426
Energy: 0.43629048626852285
Energy: 0.4187868343041867
Energy: 0.3922924625998467
Energy: 0.46062516137612614
Energy: 0.45688247178415364
Energy: 0.3925453065537482
Energy: 0.45856470647682035
Energy: 0.413006657671998
Energy: 0.41296360323128684
Energy: 0.420859114624278
Energy: 0.4266942520022461
Energy: 0.4142761971460793
Energy: 0.41787830531682874
Energy: 0.41310890069900363
Energy: 0.5287851229858531
Energy: 0.41788406342418866
Energy: 0.4187569424438963
Energy: 0.5289818421103419
Energy: 0.41990191150539474
Energy: 0.4465298612622682
Energy: 0.5318863671685068
Energy: 0.4560553588834268
Energy: 0.4560277342711411
Energy: 0.4580964956686416
Energy: 0.4560729346494779
Energy: 0.4075302130726344
Energy: 0.41712068954356885
Energy: 0.46297623900371776
Energy: 0.41848858929342375
Energy: 0.42034881225338966
Energy: 0.46212489070554846
Energy: 0.4462536022781803
Energy: 0.49066103959281565
Energy: 0.45744983658808464
Energy: 0.45896795187640027
Energy: 0.49047251317454976
Energy: 0.45782193580611813
Energy: 0.4560204864193041
Energy: 0.5303976063170652
Energy: 0.4541545656416717
Energy: 0.43038335590631827
Energy: 0.46599223392378253
Energy: 0.4646090795458737
Energy: 0.4571823776036887
Energy: 0.4569035020306691
Energy: 0.4539006498388393
Energy: 0.42970885539755044
Energy: 0.45746821578255886
Energy: 0.45667086686771696
Energy: 0.41372357737148696
Energy: 0.4555630538889212
Energy: 0.4582273653206651
Energy: 0.41318110963490046
Energy: 0.45577782014184115
Energy: 0.4582479279088313
Energy: 0.41479795361871474
Energy: 0.4049167823392784
Energy: 0.4846640099476733
Energy: 0.4059141553714822
Energy: 0.4066652605643316
Energy: 0.48583978363567676
Energy: 0.46502118125063874
Energy: 0.45637222128518806
Energy: 0.4080253758575518
Energy: 0.40701766276412343
Energy: 0.4564663141063297
Energy: 0.4079049484006792
Energy: 0.43878637802737647
Energy: 0.4578304796400304
Energy: 0.40580662092514364
Energy: 0.4305652129308723
Energy: 0.4587365977714061
Energy: 0.40796078263325875
Energy: 0.45715120596574016
Energy: 0.406352559670179
Energy: 0.4060241777766644
Energy: 0.4062680087881808
Energy: 0.4121868387989346
Energy: 0.4187322227167158
Energy: 0.4129647729111831
Energy: 0.40604630026146626
Energy: 0.40580857932412384
Energy: 0.4057826817630892
Energy: 0.4061234392695694
Energy: 0.4083679258607905
Energy: 0.40622811857330715
Energy: 0.4347909940425077
Energy: 0.4059109828657109
Energy: 0.4079981730577885
Energy: 0.4095685605215664
Energy: 0.4058584606755378
Energy: 0.4080051529408053
Energy: 0.4057290714614733
Energy: 0.40634452756792766
Energy: 0.4063444205353952
Energy: 0.405733485353959
Energy: 0.4177889136151589
Energy: 0.40592102064051955
Energy: 0.41093872574376394
Energy: 0.48873081470253543
Energy: 0.4058433901133369
Energy: 0.4057053093430915
Energy: 0.41293398771782025
Energy: 0.40602089664147856
Energy: 0.39291805457097745
Energy: 0.4124634422337117
Energy: 0.41360235087964875
Energy: 0.3937049031041469
Energy: 0.43411367434569553
Energy: 0.4194033804121029
Energy: 0.39228034075050794
Energy: 0.4609318029687897
Energy: 0.4569440032050388
Energy: 0.3926579627659997
Energy: 0.4585741662893503
Energy: 0.4312080571172981
Energy: 0.4135253956350633
Energy: 0.42652858453960646
Energy: 0.40794058965496666
Energy: 0.4133984412320117
Energy: 0.41779835405692956
Energy: 0.4127429316376689
Energy: 0.5274317988321585
Energy: 0.4179043493921741
Energy: 0.4204615738268055
Energy: 0.527229015279345
Energy: 0.39601676856664425
Energy: 0.4471882400078164
Energy: 0.5308521455146421
Energy: 0.455971731028473
Energy: 0.45609609469397083
Energy: 0.4578973503385432
Energy: 0.4559761974562691
Energy: 0.4078586010712606
Energy: 0.4176670430531149
Energy: 0.4637065556438511
Energy: 0.4181792540693095
Energy: 0.41892451242995943
Energy: 0.46344012225499615
Energy: 0.44685276270843227

minimum gb energy = 0.39228034075050794 eV
minimum distance =  2.66965168998524 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.6057016017335531
Energy: 0.7382551367884389
Energy: 0.6254914438203508
Energy: 0.5065437363009718
Energy: 0.7353748410160371
Energy: 0.6321321894814224
Energy: 0.5442647761878134
Energy: 0.4735598554183418
Energy: 0.4721237699040523
Energy: 0.4829215455487061
Energy: 0.47328854606802523
Energy: 0.47165824373876747
Energy: 0.5438880732017881
Energy: 0.4743776343497653
Energy: 0.5110055631179038
Energy: 0.5443995480117095
Energy: 0.4716595298264679
Energy: 0.4722802460430047
Energy: 0.4830344444447478
Energy: 0.4709831448938515
Energy: 0.44921595417968047
Energy: 0.4832128389923419
Energy: 0.47213291942635915
Energy: 0.47336203434869484
Energy: 0.47071279871000987
Energy: 0.47368017335645823
Energy: 0.47370025873810867
Energy: 0.47082764227164003
Energy: 0.4730486760887649
Energy: 0.46252074139409455
Energy: 0.5029636471554485
Energy: 0.5040533789902756
Energy: 0.5987896770610746
Energy: 0.4505852887596595
Energy: 0.5706519365691441
Energy: 0.471879328474332
Energy: 0.470559007391255
Energy: 0.46040665305644984
Energy: 0.45052251443324226
Energy: 0.47078511016952856
Energy: 0.4623291287988257
Energy: 0.4720375895980924
Energy: 0.4730061281867797
Energy: 0.44983573194395476
Energy: 0.4709112878690084
Energy: 0.4737867133980478
Energy: 0.45160325990666317
Energy: 0.4712097126787992
Energy: 0.5511284082033312
Energy: 0.475197337998871
Energy: 0.44964941451401014
Energy: 0.4387116794138955
Energy: 0.4705719815946584
Energy: 0.4494329341106611
Energy: 0.5097474783687231
Energy: 0.47518619913160276
Energy: 0.4718250832348206
Energy: 0.4525891832002571
Energy: 0.4719398264974188
Energy: 0.4498868631564913
Energy: 0.48092875287126086
Energy: 0.47169682219425024
Energy: 0.45125660996762934
Energy: 0.45082440051414474
Energy: 0.43843324506405656
Energy: 0.450566984683789
Energy: 0.5399950287928067
Energy: 0.48045984360704375
Energy: 0.5026334395432074
Energy: 0.5403994839002402
Energy: 0.43831785315465926
Energy: 0.5288087633011965
Energy: 0.5439597396343616
Energy: 0.4716314301948154
Energy: 0.484614455687704
Energy: 0.4833903313354021
Energy: 0.4714559504702574
Energy: 0.4719343605098306
Energy: 0.4403619112391105
Energy: 0.4842460978453181
Energy: 0.4389697275326673
Energy: 0.4415143117104172
Energy: 0.569104935166599
Energy: 0.48006120613076997

minimum gb energy = 0.43831785315465926 eV
minimum distance =  2.67425653668826 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.4942911410995973
Energy: 0.5755395738320555
Energy: 0.5025028717009234
Energy: 0.612433720110656
Energy: 0.5755445756199713
Energy: 0.6083388142661185
Energy: 0.6284387726466321
Energy: 0.5056009535708321
Energy: 0.505823580764635
Energy: 0.5663104524394482
Energy: 0.5052237318189565
Energy: 0.5063267349559994
Energy: 0.5802114901300077
Energy: 0.5216238382213493
Energy: 0.5224644091437624
Energy: 0.5802826177435484
Energy: 0.5184224922597606
Energy: 0.5433111715721295
Energy: 0.5579846589259514
Energy: 0.4912161119909978
Energy: 0.5208642801676936
Energy: 0.5441546568526137
Energy: 0.5225210062590746
Energy: 0.5234622093997282
Energy: 0.5630239367407256
Energy: 0.5056638776714585
Energy: 0.5053135007594978
Energy: 0.5513023756711883
Energy: 0.5060564937242753
Energy: 0.5059532241317454
Energy: 0.5642474394582018
Energy: 0.5193129655151768
Energy: 0.5196137082353788
Energy: 0.5418283543748543
Energy: 0.5193524901491502
Energy: 0.5240139856995994
Energy: 0.5191847038923945
Energy: 0.5241335073072799
Energy: 0.5197247341557023
Energy: 0.5192334337650414
Energy: 0.5083085077397823
Energy: 0.5193620491291928
Energy: 0.5110360933257976
Energy: 0.5059987312347765
Energy: 0.5061879529682043
Energy: 0.5064215984222642
Energy: 0.551044684725188
Energy: 0.5057420160867093
Energy: 0.5178589255188957
Energy: 0.524560439466575
Energy: 0.5241941440220009
Energy: 0.5111036211644538
Energy: 0.523384080845315
Energy: 0.49473161039644686
Energy: 0.5001109130437275
Energy: 0.5252261253582761
Energy: 0.5242449721525735
Energy: 0.5103422380140514
Energy: 0.5505290390633157
Energy: 0.4948544434719868
Energy: 0.5113259709170974
Energy: 0.5262899433933367
Energy: 0.506035393608966
Energy: 0.5066816622793472
Energy: 0.5246274498929757
Energy: 0.5058299298302242
Energy: 0.5113417468317782
Energy: 0.5148783282257096
Energy: 0.5146972677371788
Energy: 0.5118478973826028
Energy: 0.5795385430432007
Energy: 0.5247152318162783
Energy: 0.505239220696424
Energy: 0.5563560757881809
Energy: 0.5389358705755223
Energy: 0.5053924701853837
Energy: 0.5644713381198817
Energy: 0.5061919609726387
Energy: 0.5381845671880353
Energy: 0.5648951849442261
Energy: 0.5516245955514534
Energy: 0.5359402087869932
Energy: 0.5608185940619888
Energy: 0.5440923016203348
Energy: 0.4921418055976585
Energy: 0.49306660053839896
Energy: 0.49247390617935555
Energy: 0.4922425912474997
Energy: 0.5431614978088674
Energy: 0.4923381597407859
Energy: 0.4925519251610013
Energy: 0.4924269994504497
Energy: 0.4922739081406723
Energy: 0.49363821921507756
Energy: 0.5424760634939555
Energy: 0.49251716261636597
Energy: 0.492179030316172
Energy: 0.4933771442949297
Energy: 0.4927371681318435
Energy: 0.49230154412790567
Energy: 0.4933073020058898
Energy: 0.5192843922817904
Energy: 0.5647291443223054
Energy: 0.5578946294132211
Energy: 0.5451891362440465
Energy: 0.5394286562377234
Energy: 0.5800520854835789
Energy: 0.5395413635261312
Energy: 0.5259042660922623
Energy: 0.5279388250995275
Energy: 0.5312339948777897
Energy: 0.5255501582277731
Energy: 0.5290261768110988
Energy: 0.532044062849195
Energy: 0.5589001996759002
Energy: 0.4929168745886507
Energy: 0.49440885174950316
Energy: 0.5598251336177542
Energy: 0.49281448517728693
Energy: 0.5374087466487759
Energy: 0.5667204782981962
Energy: 0.49262454888343293
Energy: 0.5392530658730874
Energy: 0.5282633242697303
Energy: 0.5374379168766106
Energy: 0.5302751903212959
Energy: 0.509968575511682
Energy: 0.5291802184397133
Energy: 0.5303766445441356
Energy: 0.5041011257639524
Energy: 0.5284898849446351
Energy: 0.5313839897613697
Energy: 0.5073512003274226
Energy: 0.5332208658965653
Energy: 0.515404463118959
Energy: 0.521617090353788
Energy: 0.532772457696792
Energy: 0.5453988635197723
Energy: 0.5562227543429918
Energy: 0.5358176231888931
Energy: 0.5300589608957426
Energy: 0.5272600945551883
Energy: 0.5254092344904903
Energy: 0.531296973703467
Energy: 0.5781648966329717
Energy: 0.535162636339702
Energy: 0.5352167214278879
Energy: 0.579092819562947
Energy: 0.5216796382960255
Energy: 0.5134998347041738
Energy: 0.5767384635924834
Energy: 0.4934707017655684
Energy: 0.5173731793277383
Energy: 0.545198280177549
Energy: 0.4921762476544658
Energy: 0.4949574345993127
Energy: 0.5748920405803839
Energy: 0.492274579654637
Energy: 0.492116679123893
Energy: 0.5393971645651426
Energy: 0.4940707061460389
Energy: 0.49199710242134004
Energy: 0.5752124364632261
Energy: 0.5384171361679956
Energy: 0.49346300166500695
Energy: 0.5388464571589926
Energy: 0.49242680884262374
Energy: 0.4926652338813429
Energy: 0.581769698351911
Energy: 0.537202443053838
Energy: 0.5389847126081118
Energy: 0.5600661403615704
Energy: 0.5119254001836463
Energy: 0.5539933802255763
Energy: 0.6208994890551015
Energy: 0.5056161521016462
Energy: 0.5060658636420157
Energy: 0.5444058173845292
Energy: 0.5053341869236715
Energy: 0.5568523658681603
Energy: 0.49370594893308223
Energy: 0.5104825472860982
Energy: 0.5515183100331162
Energy: 0.49301453810037227
Energy: 0.5129114793325453
Energy: 0.5324526590684321

minimum gb energy = 0.4912161119909978 eV
minimum distance =  2.68639193272303 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.7620886004605516
Energy: 0.6025088405363709
Energy: 0.6230470571461062
Energy: 0.6168048240599584
Energy: 0.8068658723246425
Energy: 0.6177975167685963
Energy: 0.5522615839533447
Energy: 0.4704709310469194
Energy: 0.4692598805423745
Energy: 0.4684299421952606
Energy: 0.4681424656605187
Energy: 0.46807345954759766
Energy: 0.5442305201295802
Energy: 0.483080213573952
Energy: 0.5325481367074721
Energy: 0.5451612264328931
Energy: 0.48359808232427326
Energy: 0.46965660900249034
Energy: 0.486080593447853
Energy: 0.46929628294914877
Energy: 0.4680172776370881
Energy: 0.48725149567969406
Energy: 0.48365105958652693
Energy: 0.46799977703613693
Energy: 0.5010827455261843
Energy: 0.4706092006119959
Energy: 0.4692941848747903
Energy: 0.4848745090599165
Energy: 0.4708066479060121
Energy: 0.46830501930248986
Energy: 0.486653906750902
Energy: 0.5433217801610473
Energy: 0.5429864985286906
Energy: 0.46848350363532465
Energy: 0.5440732147500316
Energy: 0.5375277759985325
Energy: 0.5434847291419551
Energy: 0.4618765435102648
Energy: 0.4623915281072102
Energy: 0.5442604733779864
Energy: 0.5169450441651121
Energy: 0.5426966050282097
Energy: 0.5558490667085749
Energy: 0.47022389820470767
Energy: 0.4685714962953825
Energy: 0.48836820077350646
Energy: 0.4850145105938058
Energy: 0.46858290819773674
Energy: 0.45371305843254023
Energy: 0.48908827793902426
Energy: 0.45395893424787953
Energy: 0.45391415979423977
Energy: 0.5371815947199364
Energy: 0.4549928924705542
Energy: 0.4540487574665918
Energy: 0.5406206857853606
Energy: 0.4540114654423299
Energy: 0.4560048680615128
Energy: 0.5432055257201106
Energy: 0.45509687830606577
Energy: 0.5554399807110922
Energy: 0.4703152867832536
Energy: 0.46856044466780145
Energy: 0.4885586916941489
Energy: 0.4851371230668424
Energy: 0.4680957939380588
Energy: 0.7260893488040959
Energy: 0.5391807646832405
Energy: 0.533591514232909
Energy: 0.536972804191912
Energy: 0.5683260385000692
Energy: 0.5371641968394866
Energy: 0.48627072072589744
Energy: 0.4702014393337074
Energy: 0.46914540442828867
Energy: 0.4687070490472335
Energy: 0.4685298972704467
Energy: 0.4839344133461467
Energy: 0.4864026526231429
Energy: 0.5450269831663832
Energy: 0.5471679801601237
Energy: 0.47077705665120223
Energy: 0.5432170209484876
Energy: 0.53730259547023
Energy: 0.5035506345157091
Energy: 0.5095629236292911
Energy: 0.46829157096468366
Energy: 0.4845091145208616
Energy: 0.5087865579196129
Energy: 0.4678770074051027
Energy: 0.5426267284943285
Energy: 0.45347305795357984
Energy: 0.45421249324953283
Energy: 0.5437632909798545
Energy: 0.508788010914884
Energy: 0.4694878421245884
Energy: 0.4537082097232639
Energy: 0.47106644293265476
Energy: 0.46938934413551414
Energy: 0.45369601626941347
Energy: 0.468770864888088
Energy: 0.46897861378407

minimum gb energy = 0.45347305795357984 eV
minimum distance =  2.6833113906753 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.8408284929594195
Energy: 0.5715145072717355
Energy: 0.5693514909082582
Energy: 0.5740240023389155
Energy: 0.5808723034252979
Energy: 0.5713211401646323
Energy: 0.6611817907772526
Energy: 0.5437445554915518
Energy: 0.5351660999787691
Energy: 0.5329695166935363
Energy: 0.5302819908522352
Energy: 0.5371417037284605
Energy: 0.5543984754888477
Energy: 0.5335691646662699
Energy: 0.5570221806753667
Energy: 0.5547658541480008
Energy: 0.5316484518619745
Energy: 0.5326904694281022
Energy: 0.5309045303627195
Energy: 0.5330886513443269
Energy: 0.5490580576968768
Energy: 0.533060157530763
Energy: 0.5322981974710185
Energy: 0.5521301016552346
Energy: 0.5755383436702524
Energy: 0.5276440056540069
Energy: 0.5205335482531636
Energy: 0.5152262645426116
Energy: 0.5398759596295939
Energy: 0.514586891249455
Energy: 0.5495882539893512
Energy: 0.5421838576302969
Energy: 0.5407768926862866
Energy: 0.5502130516770558
Energy: 0.5442286754453477
Energy: 0.5404939536038855
Energy: 0.5418841092231711
Energy: 0.5419995565803458
Energy: 0.5697649864392301
Energy: 0.5422571096099473
Energy: 0.545737961450706
Energy: 0.552002325958061
Energy: 0.5379779832599374
Energy: 0.537575348900049
Energy: 0.5426615516204459
Energy: 0.5242686910110413
Energy: 0.5385573401432059
Energy: 0.5414257992695969
Energy: 0.5374768000100449
Energy: 0.5494652335631767
Energy: 0.5273575113594405
Energy: 0.5671166648088459
Energy: 0.5474872986094785
Energy: 0.5558232807756235
Energy: 0.537332079495036
Energy: 0.5254390670192919
Energy: 0.5245161487942321
Energy: 0.5526422912100136
Energy: 0.5234691754842359
Energy: 0.5157809562977114
Energy: 0.5375620569103063
Energy: 0.5371646981295408
Energy: 0.5153778857390091
Energy: 0.5239246869371942
Energy: 0.5438718025631121
Energy: 0.5154595516792978
Energy: 0.5378829253532517
Energy: 0.5340416213488128
Energy: 0.5391611859125285
Energy: 0.5307410794654275
Energy: 0.5338778333556932
Energy: 0.5392805548370975
Energy: 0.6993602341833565
Energy: 0.532803648784495
Energy: 0.5338856368067836
Energy: 0.5380907207664697
Energy: 0.5273785406670439
Energy: 0.5387349309455742
Energy: 0.5393294789708618
Energy: 0.5467982031254272
Energy: 0.5334213445776063
Energy: 0.5243183494385031
Energy: 0.5258414425779708
Energy: 0.5352863943711768
Energy: 0.5693439269160663
Energy: 0.5377441953734222
Energy: 0.5384214198068699
Energy: 0.571052317601596
Energy: 0.5430818445931922
Energy: 0.5614761049910115
Energy: 0.5625982681398543
Energy: 0.5803907579029769
Energy: 0.5349574420758836
Energy: 0.5634262806050903
Energy: 0.5588614946894095
Energy: 0.5738445967252027
Energy: 0.5396894901574759
Energy: 0.5334110397555146
Energy: 0.5490634877567111
Energy: 0.5438290589478644
Energy: 0.5475043216593485
Energy: 0.5355997236096692
Energy: 0.6442534729450827
Energy: 0.5327224571524586
Energy: 0.5362644321461646
Energy: 0.5146889585520705
Energy: 0.5323283819392899
Energy: 0.5179950915541098
Energy: 0.5292798697462057
Energy: 0.5337707670713282
Energy: 0.5358285629679201
Energy: 0.5298370735322637
Energy: 0.5237139372172761
Energy: 0.5362972914363032
Energy: 0.5305307413614196
Energy: 0.5335087538695574
Energy: 0.5350472271229816
Energy: 0.5309642115560629
Energy: 0.5340530780812367
Energy: 0.5383598556579638
Energy: 0.531288129810007
Energy: 0.5350090638312263
Energy: 0.5448711001128553
Energy: 0.5376238038104938
Energy: 0.5340172103925124
Energy: 0.5389398235741373

minimum gb energy = 0.514586891249455 eV
minimum distance =  2.66482946137379 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.692912064687842
Energy: 0.5595794995649962
Energy: 0.5737939828863879
Energy: 0.5867787732683721
Energy: 0.7044427103406367
Energy: 0.6056707183664648
Energy: 0.5708594761239372
Energy: 0.5794176128408035
Energy: 0.5735162062343444
Energy: 0.5069893003372501
Energy: 0.5740608239488337
Energy: 0.5209559128034729
Energy: 0.6067896962040431
Energy: 0.5406177641328385
Energy: 0.5346649598312668
Energy: 0.5654915649492075
Energy: 0.5697178181269971
Energy: 0.5379455892029045
Energy: 0.5982992749297503
Energy: 0.5491941954777235
Energy: 0.5207051656239043
Energy: 0.5317086202247145
Energy: 0.5207317990684582
Energy: 0.5719524090221683
Energy: 0.5805165711596927
Energy: 0.5488324683545867
Energy: 0.6036084552008063
Energy: 0.5291777862638746
Energy: 0.601765354103011
Energy: 0.5540130969786377
Energy: 0.6533828263277475
Energy: 0.5836007956747614
Energy: 0.5850217781466428
Energy: 0.5867823110828742
Energy: 0.5835391919178178
Energy: 0.5859457799734772
Energy: 0.5993186573549637
Energy: 0.5573607767464042
Energy: 0.5564938714927389
Energy: 0.525718846652198
Energy: 0.5575921936222515
Energy: 0.5567050644302153
Energy: 0.6249759666925258
Energy: 0.5648817778444566
Energy: 0.6034317073994142
Energy: 0.6088281465507553
Energy: 0.5647007634767044
Energy: 0.6113815399224944
Energy: 0.5989905991314164
Energy: 0.5900994361329027
Energy: 0.5600117655628074
Energy: 0.578306297880093
Energy: 0.5902005665323654
Energy: 0.5596991601032825
Energy: 0.5978263927925336
Energy: 0.5456660732440275
Energy: 0.5463167203180661
Energy: 0.5680100215877223
Energy: 0.5462209973958358
Energy: 0.5472070309304949
Energy: 0.6192129273082161
Energy: 0.5074379490955174
Energy: 0.5191520726099553
Energy: 0.5156379180378309
Energy: 0.5293520956356644
Energy: 0.5070910110618497
Energy: 0.536493425439215
Energy: 0.5315435036510456
Energy: 0.532407347246799
Energy: 0.537262521715007
Energy: 0.5313924282007326
Energy: 0.5381696252715135
Energy: 0.6217644074853045
Energy: 0.5438424634042341
Energy: 0.541522565966205
Energy: 0.5425744202103229
Energy: 0.5420996668008274
Energy: 0.5418634190793378
Energy: 0.5854267617917109
Energy: 0.542658018141704
Energy: 0.5424118018268523
Energy: 0.5650598266053056
Energy: 0.5416454655524869
Energy: 0.5429355038211726
Energy: 0.5629865519404036
Energy: 0.5408877764182296
Energy: 0.5410824921949101
Energy: 0.5454300944840411
Energy: 0.5421230975434983
Energy: 0.5396774739554376
Energy: 0.607420481444287
Energy: 0.5481141150000387
Energy: 0.5753569554690187
Energy: 0.5765608923151635
Energy: 0.5922092044085541
Energy: 0.573357540429039
Energy: 0.5538214451463723
Energy: 0.5823710439573365
Energy: 0.5817425235898008
Energy: 0.5477089654576229
Energy: 0.5785668411880498
Energy: 0.5749806567474683
Energy: 0.6233824008127773
Energy: 0.5863870356659704
Energy: 0.5839301179563079
Energy: 0.5851733786034452
Energy: 0.5843304109351289
Energy: 0.5863667526025835
Energy: 0.6240567398788172
Energy: 0.5580257946276491
Energy: 0.5577352971606268
Energy: 0.6138016384148037
Energy: 0.5582382784301276
Energy: 0.5574291643296169
Energy: 0.5977514578064361
Energy: 0.5579944557673238
Energy: 0.5577545992397606
Energy: 0.5252585272069108
Energy: 0.5580567935746995
Energy: 0.5576976166472091
Energy: 0.7110830807064247
Energy: 0.5856186267942108
Energy: 0.585872162091391
Energy: 0.5880184140616874
Energy: 0.5849884918244217
Energy: 0.5871864627695684
Energy: 0.5746259999686293
Energy: 0.5822322565740469
Energy: 0.6200127687486501
Energy: 0.5304540856235497
Energy: 0.6012004307947592
Energy: 0.557488416400139
Energy: 0.5848345803612123
Energy: 0.5955641170229824
Energy: 0.5116042765159674
Energy: 0.5099391813554991
Energy: 0.5078182626161358
Energy: 0.6043878719518943
Energy: 0.5850472851662597
Energy: 0.6154703588946907
Energy: 0.5464465439485423
Energy: 0.5110294108946614
Energy: 0.5594885209576375
Energy: 0.6037138399164752
Energy: 0.543015430953938
Energy: 0.6100841417315342
Energy: 0.6133068905495616
Energy: 0.519433452349859
Energy: 0.6084310820570448
Energy: 0.5579088379193766

minimum gb energy = 0.5069893003372501 eV
minimum distance =  2.61698852901999 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.7922667869655612
Energy: 0.5513509917035078
Energy: 0.6184738395510232
Energy: 0.5923882847808478
Energy: 0.5263823428697738
Energy: 0.6201404553884632
Energy: 0.5369585552423388
Energy: 0.5272026142623732
Energy: 0.527727683016891
Energy: 0.5270340812184924
Energy: 0.526507035288171
Energy: 0.5289712585463274
Energy: 0.5383598184915799
Energy: 0.5250399408771476
Energy: 0.5269021206329516
Energy: 0.5355104552514512
Energy: 0.5304972008227306
Energy: 0.5322349427627733
Energy: 0.5401499624674017
Energy: 0.5614409035636979
Energy: 0.5256749162765975
Energy: 0.5265235067742998
Energy: 0.5280186708324369
Energy: 0.5291268675565524
Energy: 0.5632505545359647
Energy: 0.5357542346904107
Energy: 0.5374511307263703
Energy: 0.5355387464653859
Energy: 0.5346509095654267
Energy: 0.5321501069204793
Energy: 0.565428030675094
Energy: 0.5268205372846222
Energy: 0.5644172860123721
Energy: 0.5266553772218192
Energy: 0.5274906006035259
Energy: 0.5611972743380604
Energy: 0.5607723952336032
Energy: 0.5734229365573911
Energy: 0.573954232950549
Energy: 0.5362836837666953
Energy: 0.5735098931467095
Energy: 0.5797810014491689
Energy: 0.5752942164178407
Energy: 0.5299216029165291
Energy: 0.5286125405458154
Energy: 0.5756875745890928
Energy: 0.5300480330344403
Energy: 0.5320306106113935
Energy: 0.5539390743901854
Energy: 0.5309507703114038
Energy: 0.5338790303589076
Energy: 0.5300653862620771
Energy: 0.534757590504609
Energy: 0.5346160287724065
Energy: 0.5542586098416884
Energy: 0.54028508606551
Energy: 0.5404621491171889
Energy: 0.5301810532477037
Energy: 0.5400685782964043
Energy: 0.5317079032045587
Energy: 0.5338884566760016
Energy: 0.5115867280089139
Energy: 0.5194094328519034
Energy: 0.5346157029990962
Energy: 0.5144890837451372
Energy: 0.5250986434247292
Energy: 0.5256487549627246
Energy: 0.5581163328972178
Energy: 0.5080042088196305
Energy: 0.5274161223640635
Energy: 0.5373855646618794
Energy: 0.5080760186418054
Energy: 0.5622960720871412
Energy: 0.5391140512849711
Energy: 0.5790691625433095
Energy: 0.5162769104793792
Energy: 0.5428331768509258
Energy: 0.537964792148634
Energy: 0.563323954650321
Energy: 0.5340373369051801
Energy: 0.5348824638113209
Energy: 0.5373460857743109
Energy: 0.533894988782365
Energy: 0.5340571456775828
Energy: 0.5254648391601237
Energy: 0.5138553964151872
Energy: 0.5139760749182077
Energy: 0.5261564452941049
Energy: 0.5138404376981682
Energy: 0.5078583628828451
Energy: 0.5258228016682239
Energy: 0.5088651922534213
Energy: 0.5109534376065495
Energy: 0.5252656381150679
Energy: 0.5131499496957186
Energy: 0.5129883507962101
Energy: 0.6813927288054967
Energy: 0.5369033855301131
Energy: 0.5402021119949685
Energy: 0.5225931876600648
Energy: 0.5364925434153498
Energy: 0.5368457595087847
Energy: 0.5487188528636942
Energy: 0.5187311008739681
Energy: 0.5195087351034666
Energy: 0.5444515471634995
Energy: 0.5235910172267645
Energy: 0.5108488140607266
Energy: 0.5432038358203021
Energy: 0.5274248015314493
Energy: 0.5221682560537623
Energy: 0.527874940642662
Energy: 0.5268752779741632
Energy: 0.5206789583400304
Energy: 0.5372877107760605
Energy: 0.5270714205945746
Energy: 0.5220871124356337
Energy: 0.5210119426418103
Energy: 0.5275151548281516
Energy: 0.5209140765705554
Energy: 0.5423567132126268
Energy: 0.5189864818482385
Energy: 0.5129759195156683
Energy: 0.5078982646894952
Energy: 0.5244621092474516
Energy: 0.5107462721634638
Energy: 0.5512643056333348
Energy: 0.5138402782726142
Energy: 0.5100034401939618
Energy: 0.5512372582879053
Energy: 0.5244285238714158
Energy: 0.5074668194558624
Energy: 0.5517471325912375
Energy: 0.5355113651783481
Energy: 0.5357066645808677
Energy: 0.5526184397077175
Energy: 0.5346611094351947
Energy: 0.5277377828689728
Energy: 0.5381325632439398
Energy: 0.5065067436591713
Energy: 0.5254896014979611
Energy: 0.5378602054626573
Energy: 0.5205096808512075
Energy: 0.5275471601853605
Energy: 0.5652258335379701
Energy: 0.5131104026176952
Energy: 0.5104324848411513
Energy: 0.5082987255739765
Energy: 0.5269903399066269
Energy: 0.5076843015316838
Energy: 0.5602004913835602
Energy: 0.5275624302295145
Energy: 0.5260038097353854
Energy: 0.5284413081571773
Energy: 0.5267907677135856
Energy: 0.5257789289874334
Energy: 0.5374211063931126
Energy: 0.5307182874574624
Energy: 0.5328621025557204
Energy: 0.535003256485276
Energy: 0.5302371906158838
Energy: 0.535064797794519
Energy: 0.5369695456635697
Energy: 0.5299797399094818
Energy: 0.5326932488209772
Energy: 0.5339380412112449
Energy: 0.5299786974462715
Energy: 0.5279089533329971
Energy: 0.5615608597307696
Energy: 0.5768195204539904
Energy: 0.5315780548528799
Energy: 0.5326006882382327
Energy: 0.5752934573298459
Energy: 0.5646666920591212

minimum gb energy = 0.5065067436591713 eV
minimum distance =  2.66226495932573 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.745851243376374
Energy: 0.5533835748641007
Energy: 0.5334563419316829
Energy: 0.6412434888888533
Energy: 0.521750083884847
Energy: 0.5234498755050422
Energy: 0.5389879790282827
Energy: 0.5264788057851706
Energy: 0.521915656508643
Energy: 0.5558499322213529
Energy: 0.5205167293359703
Energy: 0.522703060981627
Energy: 0.5375302530411982
Energy: 0.5227364586679875
Energy: 0.5287109192150146
Energy: 0.5317438499864384
Energy: 0.5314645616142522
Energy: 0.5275225003811107
Energy: 0.5410752086463578
Energy: 0.5493241116965863
Energy: 0.5280370885383492
Energy: 0.5226782751400917
Energy: 0.5248495219177269
Energy: 0.5220153319790732
Energy: 0.5401548203118648
Energy: 0.5305201276864767
Energy: 0.5314122825497243
Energy: 0.5373562677605732
Energy: 0.5303423807791086
Energy: 0.5345806066023198
Energy: 0.5405741285928128
Energy: 0.525862326127555
Energy: 0.5365026642288754
Energy: 0.5412868694298003
Energy: 0.5208041946120985
Energy: 0.5491675316830906
Energy: 0.5551259901763416
Energy: 0.5277693903841932
Energy: 0.5261773096923698
Energy: 0.54407062327529
Energy: 0.5279142966608797
Energy: 0.527929887618972
Energy: 0.5449626360724511
Energy: 0.528156698178794
Energy: 0.5280458200538968
Energy: 0.5431057364415696
Energy: 0.5392325626828164
Energy: 0.537226233914984
Energy: 0.5304007297093278
Energy: 0.521299667120996
Energy: 0.5299308720162931
Energy: 0.5274977612752051
Energy: 0.5314930915716707
Energy: 0.5291490419775658
Energy: 0.529603538906554
Energy: 0.5246028276293306
Energy: 0.5223716435000725
Energy: 0.526604239177136
Energy: 0.5235987835323718
Energy: 0.5296540997865781
Energy: 0.5918896283235194
Energy: 0.5175238466735813
Energy: 0.516950946729395
Energy: 0.5922594680767308
Energy: 0.5186377225131491
Energy: 0.5806855622360075
Energy: 0.5366361313978916
Energy: 0.5294402999979191
Energy: 0.5296678720457335
Energy: 0.5313272725760334
Energy: 0.5379900699383942
Energy: 0.5254341941505233
Energy: 0.6454926746886293
Energy: 0.5218807152476314
Energy: 0.5217420156747289
Energy: 0.5276878459036589
Energy: 0.5303568055231702
Energy: 0.5224278246209814
Energy: 0.5348453069426186
Energy: 0.5220781355421832
Energy: 0.5229617299715964
Energy: 0.5264186995890002
Energy: 0.5222141414936192
Energy: 0.5306214094851969
Energy: 0.5364614054169244
Energy: 0.5292113845520409
Energy: 0.5294480847361329
Energy: 0.5319076749604429
Energy: 0.5283301392281575
Energy: 0.5295899583915884
Energy: 0.5367167406908109
Energy: 0.5338210561790206
Energy: 0.5284825907609443
Energy: 0.5295569917314851
Energy: 0.5316663474826527
Energy: 0.5348852142386513
Energy: 0.7471810200642209
Energy: 0.5471713371174279
Energy: 0.5339105315393083
Energy: 0.5182473789717955
Energy: 0.576692368005098
Energy: 0.514179476242199
Energy: 0.5809025934845254
Energy: 0.5198454349802677
Energy: 0.520833979593418
Energy: 0.5369319714373263
Energy: 0.519684527649555
Energy: 0.5344019329350512
Energy: 0.5364704453875271
Energy: 0.5292419544975456
Energy: 0.5315182133772572
Energy: 0.5305414930350153
Energy: 0.5293360768967437
Energy: 0.5217218610856319
Energy: 0.5404470344601776
Energy: 0.5289528453010235
Energy: 0.5284127887977463
Energy: 0.5192801632616234
Energy: 0.5301071104737212
Energy: 0.5226657931702554
Energy: 0.5417261191480349
Energy: 0.5203434122237323
Energy: 0.5257021216785925
Energy: 0.5362483376093036
Energy: 0.5325762847153052
Energy: 0.5333013960563908
Energy: 0.554276719380342
Energy: 0.5210391229786588
Energy: 0.5226474927158805
Energy: 0.53196597587304
Energy: 0.5277349837255061
Energy: 0.528379918394114
Energy: 0.5421512996914578
Energy: 0.5281946451143287
Energy: 0.5277901339874742
Energy: 0.5398818016902136
Energy: 0.526662668791566
Energy: 0.5207921208259034
Energy: 0.5441886205037612
Energy: 0.529174149291123
Energy: 0.5293056994585923
Energy: 0.5390913162448502
Energy: 0.5266958874448522
Energy: 0.5360040378769327
Energy: 0.5330091256954929
Energy: 0.5216273104221079
Energy: 0.5225486777269452
Energy: 0.5304237494059181
Energy: 0.530663668573143
Energy: 0.5284695175510903
Energy: 0.5305817712018792
Energy: 0.5232592245212588
Energy: 0.5241225176272969
Energy: 0.5277788269730781
Energy: 0.5214977279623886
Energy: 0.5299161719021277
Energy: 0.5359351060265563
Energy: 0.5212974932412806
Energy: 0.5036770647063943
Energy: 0.5196014828526806
Energy: 0.5211473112943409
Energy: 0.5198084223729579
Energy: 0.5394206380668414
Energy: 0.5203809445301821
Energy: 0.5210276692698973
Energy: 0.5315445407621444
Energy: 0.5198012181004151
Energy: 0.5307371293103635
Energy: 0.5352528064877231
Energy: 0.5354339674353592
Energy: 0.5295808664509832
Energy: 0.5257956825369104
Energy: 0.5452053363173661
Energy: 0.5367198348336996
Energy: 0.537330718073948
Energy: 0.5264722135151264
Energy: 0.520731841560565
Energy: 0.5253314960859452
Energy: 0.520295303859525
Energy: 0.5343194454747108
Energy: 0.5375467040527478
Energy: 0.5343466039868329
Energy: 0.5335833049766721
Energy: 0.5314314259409884
Energy: 0.5262219001718555
Energy: 0.5325861197480207
Energy: 0.5370682370364743
Energy: 0.529423695470423
Energy: 0.5286270890763727
Energy: 0.5296360902265984
Energy: 0.5305971841410436
Energy: 0.5242829041094316
Energy: 0.5322712723910754
Energy: 0.5296361084030462
Energy: 0.5445853102807371
Energy: 0.5136200920861075
Energy: 0.5288454983056323
Energy: 0.5457794418024627

minimum gb energy = 0.5036770647063943 eV
minimum distance =  2.66447281765904 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.013171178044189125
Energy: 0.38722056040158415
Energy: 0.013659870701104209
Energy: 0.014650924754643115
Energy: 0.38898379396414534
Energy: 0.013647747523825767
Energy: 0.2665076730888114
Energy: 0.07618143049639675
Energy: 0.0761016144687231
Energy: 0.07712462879156969
Energy: 0.07727029069079987
Energy: 0.07574064249822386
Energy: 0.5812149921282629
Energy: 0.3874562482653201
Energy: 0.3868194073040201
Energy: 0.38801581501756427
Energy: 0.3895079612024299
Energy: 0.38641343561500535
Energy: 0.2665076730888114
Energy: 0.07618143049639675
Energy: 0.0761016144687231
Energy: 0.07712462879156969
Energy: 0.07727029069079987
Energy: 0.07574064249822386

minimum gb energy = 0.013171178044189125 eV
minimum distance =  2.83341281663174 Angstroms
sigma value = 1