Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264240729233
mass=26.981538
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=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18]
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: -4.3766955338e-11 eV

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

Energy: 0.010324785425379766
Energy: 0.2250397971952084
Energy: 0.010759235911201625
Energy: 0.011905800799561722
Energy: 0.22498570936317874
Energy: 0.010763242952497205
Energy: 0.22503979719229342
Energy: 0.050498131955688884
Energy: 0.05045085047196447
Energy: 0.05070739813445284
Energy: 0.05047879867398966
Energy: 0.05057174076718196
Energy: 0.010759235910701909
Energy: 0.050450850471464755
Energy: 0.050789900652191085
Energy: 0.010783415649249133
Energy: 0.050374667126269736
Energy: 0.05097765710610909
Energy: 0.011905800799561722
Energy: 0.05070739813445284
Energy: 0.010783415648027601
Energy: 0.010501422720458968
Energy: 0.050613953253207625
Energy: 0.010708895247912808
Energy: 0.2249857093634286
Energy: 0.05047879867251828
Energy: 0.0503746671243264
Energy: 0.05061395325245805
Energy: 0.050340760355973485
Energy: 0.05058479590469689
Energy: 0.010763242953468876
Energy: 0.05057174076865336
Energy: 0.05097765710610909
Energy: 0.010708895247662949
Energy: 0.05058479590469689
Energy: 0.01081617436785201

minimum gb energy = 0.010324785425379766 eV
minimum distance =  2.85635388563381 Angstroms
sigma value = 1


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

Energy: 0.6633756876287038
Energy: 0.7166921357591352
Energy: 0.44694337391842415
Energy: 0.5075005703259415
Energy: 0.47924794596357956
Energy: 0.4482537369192404
Energy: 0.6268677170708498
Energy: 0.4761860765759008
Energy: 0.4764594279521112
Energy: 0.4705592695067323
Energy: 0.4926215735384266
Energy: 0.4573998440620561
Energy: 0.6964041223257974
Energy: 0.4542393177462421
Energy: 0.43901560323178435
Energy: 0.4510951789631579
Energy: 0.4752547543392419
Energy: 0.43909389338988375
Energy: 0.7014842031667926
Energy: 0.4391535316250159
Energy: 0.42941135274001685
Energy: 0.4302884157526753
Energy: 0.4389842388751457
Energy: 0.42953653987574025
Energy: 0.6932617983006548
Energy: 0.47380934354319604
Energy: 0.47363017227111326
Energy: 0.4689714184246428
Energy: 0.4743408291682536
Energy: 0.4737474844953906
Energy: 0.6174890663785365
Energy: 0.4607215922742168
Energy: 0.4587313913826944
Energy: 0.4574390649041861
Energy: 0.45883589728215574
Energy: 0.45944374858332443
Energy: 0.6164909113797757
Energy: 0.46073242087059785
Energy: 0.46054247078286603
Energy: 0.4572010918416986
Energy: 0.47085826753852594
Energy: 0.45742506036031244
Energy: 0.5831354080610862
Energy: 0.46979027388341005
Energy: 0.4748098750873151
Energy: 0.45776746509907174
Energy: 0.4698447793116724
Energy: 0.4573034496294866
Energy: 0.5041048113011517
Energy: 0.45794012149577973
Energy: 0.4587654281072965
Energy: 0.4750006850809828
Energy: 0.45710208438057987
Energy: 0.4589330879385237
Energy: 0.5004097450095831
Energy: 0.4730165778723569
Energy: 0.4583557434926413
Energy: 0.4747992162884793
Energy: 0.4725387872243775
Energy: 0.4741144035021398
Energy: 0.54201023785579
Energy: 0.44138951683375893
Energy: 0.44168704144108095
Energy: 0.5293010669356225
Energy: 0.44137545372545356
Energy: 0.4162392023848286
Energy: 0.4937213801586077
Energy: 0.429557091049286
Energy: 0.4383474665486735
Energy: 0.4927115862217164
Energy: 0.4466875458972771
Energy: 0.43849826675126413
Energy: 0.4918271997810256
Energy: 0.4595526015075621
Energy: 0.47690761905395374
Energy: 0.4918898494641334
Energy: 0.4474857326397897
Energy: 0.4767972561665484
Energy: 0.5322551124955553
Energy: 0.4293893368782128
Energy: 0.42947654038529315
Energy: 0.4765400402914011
Energy: 0.43406428367800665
Energy: 0.43902389748365706
Energy: 0.4903964827992198
Energy: 0.4853775901284845
Energy: 0.4475958805277881
Energy: 0.48490830336109175
Energy: 0.4691648109489155
Energy: 0.48204372791582123
Energy: 0.49103802485305276
Energy: 0.4299854257425114
Energy: 0.4304056462082639
Energy: 0.48363238742798403
Energy: 0.42977990170197866
Energy: 0.4305195938214039
Energy: 0.5430382443335539
Energy: 0.45697788678681456
Energy: 0.4569619352722723
Energy: 0.4548889724711587
Energy: 0.4568381240826977
Energy: 0.43016306063408705
Energy: 0.5454841680528976
Energy: 0.4739067198741623
Energy: 0.47238398240213686
Energy: 0.472640199699295
Energy: 0.4735965955506905
Energy: 0.47238285423115584
Energy: 0.547577191510288
Energy: 0.4736096680904348
Energy: 0.473010088204799
Energy: 0.4729671747438618
Energy: 0.4730549790269101
Energy: 0.47222148560171334
Energy: 0.6849792872311042
Energy: 0.4748966936302975
Energy: 0.4730371639874754
Energy: 0.4748845550063861
Energy: 0.4732558451990485
Energy: 0.4725268841579865
Energy: 0.6597117119476167
Energy: 0.43205890633471117
Energy: 0.4418110102351304
Energy: 0.44108209826597633
Energy: 0.43141337309624433
Energy: 0.44133301311435547
Energy: 0.6551332780372348
Energy: 0.4491465962413828
Energy: 0.4310081247829363
Energy: 0.4413198485639226
Energy: 0.4623595000509694
Energy: 0.43081137466982794
Energy: 0.6614940946633175
Energy: 0.48263631005275737
Energy: 0.4823987977074286
Energy: 0.46949145061973335
Energy: 0.48252102147932896
Energy: 0.46259417798228186

minimum gb energy = 0.4162392023848286 eV
minimum distance =  2.60482905474945 Angstroms
sigma value = 33


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

Energy: 0.7300769240787776
Energy: 0.4394330625397656
Energy: 0.4219971211663854
Energy: 0.4181362900327146
Energy: 0.4391320958086621
Energy: 0.42336150175700504
Energy: 0.6169163259060653
Energy: 0.43819059939382315
Energy: 0.43724531117599064
Energy: 0.43757406850887215
Energy: 0.47934385509656846
Energy: 0.4370592458245474
Energy: 0.61788759807719
Energy: 0.47747590682605634
Energy: 0.43711526778214943
Energy: 0.4344714236866102
Energy: 0.47756001066062365
Energy: 0.43719479864906313
Energy: 0.6151622383325862
Energy: 0.4374882387534507
Energy: 0.4374291499677099
Energy: 0.43475185443093556
Energy: 0.43740884986171996
Energy: 0.4346555383171134
Energy: 0.5664105306731843
Energy: 0.47999104298655665
Energy: 0.4794236598005022
Energy: 0.47101256268898706
Energy: 0.48006232623076533
Energy: 0.43896622254455514
Energy: 0.6151767250512788
Energy: 0.4379600475572482
Energy: 0.43831862142808714
Energy: 0.4378772818212263
Energy: 0.43753967622531054
Energy: 0.4362316115124172
Energy: 0.6147530115345572
Energy: 0.4403056748999757
Energy: 0.44131563709317934
Energy: 0.43817588518663014
Energy: 0.4391431755919795
Energy: 0.4412019796383488
Energy: 0.5640872999602907
Energy: 0.4742342590573533
Energy: 0.4732741168346221
Energy: 0.4492228446475624
Energy: 0.4712674387993871
Energy: 0.47203760036056364
Energy: 0.49772599580575144
Energy: 0.46980974810097703
Energy: 0.43781207027496016
Energy: 0.478893466685543
Energy: 0.4689297838092698
Energy: 0.43782033019505023
Energy: 0.4959531045613193
Energy: 0.4731113920572557
Energy: 0.43784029318814593
Energy: 0.4802057657079446
Energy: 0.4740714068412126
Energy: 0.48021249226492213
Energy: 0.526379754728642
Energy: 0.3907176127230989
Energy: 0.3912028393254514
Energy: 0.48723762054010494
Energy: 0.3910396758432299
Energy: 0.3914121579259403
Energy: 0.47918701954217785
Energy: 0.3915712395161861
Energy: 0.4373421961203324
Energy: 0.47947598757041376
Energy: 0.4352427168565737
Energy: 0.43705921357812894
Energy: 0.4812220683909916
Energy: 0.43930206800903404
Energy: 0.4371434070484358
Energy: 0.4779878055409991
Energy: 0.4755095579143112
Energy: 0.43702830273330956
Energy: 0.5271611677917394
Energy: 0.43435624445274923
Energy: 0.43450405985215246
Energy: 0.48741572572822045
Energy: 0.43460901972950733
Energy: 0.44926523721251777
Energy: 0.4958012171032333
Energy: 0.43573388588741024
Energy: 0.43646902743862126
Energy: 0.47927546076963184
Energy: 0.47238039473287946
Energy: 0.47940852740079665
Energy: 0.4984268161192887
Energy: 0.43762913627154937
Energy: 0.43757559415328545
Energy: 0.4791658939370253
Energy: 0.4378384909766246
Energy: 0.4382980758032602
Energy: 0.563944424570179
Energy: 0.4381250347914588
Energy: 0.43811272466741613
Energy: 0.44009941590916524
Energy: 0.43828440217790027
Energy: 0.44140864536307706
Energy: 0.525808320587577
Energy: 0.4379835585103706
Energy: 0.4395365259163698
Energy: 0.4707001421496439
Energy: 0.4380300405577456
Energy: 0.4715390783379477
Energy: 0.5183883313980894
Energy: 0.4777390037412283
Energy: 0.43698808554856056
Energy: 0.46897362296121653
Energy: 0.4783214325413506
Energy: 0.4374273022867643
Energy: 0.564418028361906
Energy: 0.47863920951998407
Energy: 0.4794361433771436
Energy: 0.47328490254471145
Energy: 0.47950533504335735
Energy: 0.4794689807369102
Energy: 0.7022716153907173
Energy: 0.4373909634516142
Energy: 0.3910273294289047
Energy: 0.39087976491002185
Energy: 0.4859921393355627
Energy: 0.39117594694048863
Energy: 0.7103098575336888
Energy: 0.43748708648487755
Energy: 0.4373632661170266
Energy: 0.39087646062919124
Energy: 0.47705093565127743
Energy: 0.43695469790707436
Energy: 0.6255961627034645
Energy: 0.47890236744977027
Energy: 0.47708120611360366
Energy: 0.4755359833215172
Energy: 0.48121183689272334
Energy: 0.4372395386306362
Energy: 0.6234857022123022
Energy: 0.4902340425001964
Energy: 0.43737845547242993
Energy: 0.4346756652194576
Energy: 0.5292761512907684
Energy: 0.4490404405238085
Energy: 0.6252518573244981
Energy: 0.4781396804565721
Energy: 0.4782898006359171
Energy: 0.47496444247457953
Energy: 0.47894266153144427
Energy: 0.4791016460400892
Energy: 0.6173470808839825
Energy: 0.4365561808878245
Energy: 0.43765413080128485
Energy: 0.4379213349230056
Energy: 0.4778138218038147
Energy: 0.4388213870129038
Energy: 0.614907262737915
Energy: 0.4406331462566481
Energy: 0.44034619241188677
Energy: 0.43877287724752256
Energy: 0.43979537844149796
Energy: 0.43833220729193156
Energy: 0.5645786243496038
Energy: 0.47333379657742436
Energy: 0.47090988847946474
Energy: 0.4385118061659008
Energy: 0.4686003213760208
Energy: 0.4376647394179945
Energy: 0.4973802888235958
Energy: 0.47404471717647473
Energy: 0.4710444337204947
Energy: 0.47957112027611404
Energy: 0.4683104275787102
Energy: 0.43853001308271305
Energy: 0.49904993274966103
Energy: 0.4724050788371594
Energy: 0.4384099078801466
Energy: 0.47956071555330126
Energy: 0.47405592282569853
Energy: 0.4794024974386336
Energy: 0.4964079864566038
Energy: 0.3909863910251818
Energy: 0.3911302830333073
Energy: 0.4374359205504631
Energy: 0.39090645148621644
Energy: 0.3909749601749036
Energy: 0.4772138909813987
Energy: 0.39160628230140226
Energy: 0.3910224891372566
Energy: 0.4775182412148058
Energy: 0.39105442970065607
Energy: 0.4372169182662546
Energy: 0.4793103574147919
Energy: 0.4367237743736082
Energy: 0.43718782305839043
Energy: 0.4796274857874847
Energy: 0.47350058378662074
Energy: 0.4370539362203318
Energy: 0.47758877785163684
Energy: 0.43421156414665424
Energy: 0.43474942987761395
Energy: 0.477596454949541
Energy: 0.4350482303301521
Energy: 0.44964514309775055
Energy: 0.49620043494474353
Energy: 0.4796564216192562
Energy: 0.4798453591699182
Energy: 0.4786044209304552
Energy: 0.47502374418737675
Energy: 0.4792305610809719
Energy: 0.49603833010554277
Energy: 0.4362018391787478
Energy: 0.43901426943892735
Energy: 0.4792921411789516
Energy: 0.43663420381626056
Energy: 0.4379575447932565
Energy: 0.4966410356503304
Energy: 0.43841776000457483
Energy: 0.4384394444688092
Energy: 0.439358532633843
Energy: 0.438283789761386
Energy: 0.43887372299603095
Energy: 0.5181055599641379
Energy: 0.4365084273353396
Energy: 0.43760608416407615
Energy: 0.4690999681813484
Energy: 0.47655254891815313
Energy: 0.43702299131713157
Energy: 0.5245840036659634
Energy: 0.47934222620771133
Energy: 0.43878540127213567
Energy: 0.47133279419605534
Energy: 0.4797126302746992
Energy: 0.471659352072859
Energy: 0.5640532225714308
Energy: 0.47763715103567544
Energy: 0.47847525314338046
Energy: 0.47322750219960485
Energy: 0.4784244975056042
Energy: 0.4388801295028146
Energy: 0.7079913827894985
Energy: 0.4371284121328351
Energy: 0.3909169138465571
Energy: 0.3909387899363814
Energy: 0.43745947839995764
Energy: 0.390868985916879

minimum gb energy = 0.3907176127230989 eV
minimum distance =  2.70820216919788 Angstroms
sigma value = 51


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

Energy: 0.6958021851400142
Energy: 0.4612418208500369
Energy: 0.5022673768817172
Energy: 0.46555206910330643
Energy: 0.4838021045750181
Energy: 0.4257014564361702
Energy: 0.5337886839651007
Energy: 0.45669815805391767
Energy: 0.45664030884207835
Energy: 0.4266494930784749
Energy: 0.4846939374673217
Energy: 0.43455067500739475
Energy: 0.6309131719966315
Energy: 0.4562401666508369
Energy: 0.4333490964367121
Energy: 0.4261629377734033
Energy: 0.45609607102275807
Energy: 0.4234887997596949
Energy: 0.6272430240188394
Energy: 0.4240343389273428
Energy: 0.42382080459300414
Energy: 0.4245326428837446
Energy: 0.42408339178204946
Energy: 0.42462184953496207
Energy: 0.6900186362201186
Energy: 0.47286847984193014
Energy: 0.4720083277459895
Energy: 0.4536468231465101
Energy: 0.47316064430443255
Energy: 0.4716859975992827
Energy: 0.5338447827144112
Energy: 0.4601568805895751
Energy: 0.4589552381388281
Energy: 0.47239571732223484
Energy: 0.4727943677839095
Energy: 0.45319821093601664
Energy: 0.5338888634393542
Energy: 0.45375140501465283
Energy: 0.4532453242248964
Energy: 0.47256415625212095
Energy: 0.45404429339811114
Energy: 0.47185722693230425
Energy: 0.5436291332313314
Energy: 0.3995523800683919
Energy: 0.39948944071885995
Energy: 0.4463132110786823
Energy: 0.39965131547943883
Energy: 0.39943497248145926
Energy: 0.4844441184116994
Energy: 0.3993279312150325
Energy: 0.39918437908803533
Energy: 0.4575062249879019
Energy: 0.399652987775481
Energy: 0.4257294536918088
Energy: 0.4849467925349078
Energy: 0.4228428243299174
Energy: 0.4412019650715268
Energy: 0.4849179056388142
Energy: 0.4266711083304914
Energy: 0.4568046391853127
Energy: 0.4852645285096682
Energy: 0.4243635487014987
Energy: 0.4243671630416258
Energy: 0.48530230582333606
Energy: 0.4242205601297819
Energy: 0.45433655837600856
Energy: 0.486799785429817
Energy: 0.4226823514462656
Energy: 0.4335943191804404
Energy: 0.48183570786020014
Energy: 0.42519258100126717
Energy: 0.4541890697828769
Energy: 0.4861403094714022
Energy: 0.42578813221071254
Energy: 0.4261513423899517
Energy: 0.4563355753520327
Energy: 0.4255652964842388
Energy: 0.44393748906809033
Energy: 0.48645815804995374
Energy: 0.42580496788742483
Energy: 0.4258545118377407
Energy: 0.48227433306360606
Energy: 0.42585623110577203
Energy: 0.4255284925239102
Energy: 0.5683540992431155
Energy: 0.4279465998073781
Energy: 0.4255077483393293
Energy: 0.4480352111299722
Energy: 0.444671532681963
Energy: 0.42531263098185784
Energy: 0.5715467921873437
Energy: 0.43587865531362036
Energy: 0.4254485243204309
Energy: 0.4485625976892116
Energy: 0.4822764301666507
Energy: 0.44755889722800324
Energy: 0.636979789935866
Energy: 0.4828782885612604
Energy: 0.4536363065840752
Energy: 0.4257624222441176
Energy: 0.48319152525560993
Energy: 0.4360991533005718
Energy: 0.6835620558010695
Energy: 0.4619112890580519
Energy: 0.4471982291430017
Energy: 0.3986130937721545
Energy: 0.4615315548618356
Energy: 0.4473593636925155

minimum gb energy = 0.3986130937721545 eV
minimum distance =  2.67618916665659 Angstroms
sigma value = 19


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

Energy: 0.5836647371679958
Energy: 0.40266061033857187
Energy: 0.3845579071491144
Energy: 0.384982740418524
Energy: 0.4254162909777536
Energy: 0.38438195311562834
Energy: 0.6127177515416086
Energy: 0.4253005874635086
Energy: 0.4253528214623315
Energy: 0.3738632072106337
Energy: 0.42526286907952654
Energy: 0.40278834045358913
Energy: 0.6115285245510368
Energy: 0.42542565106866453
Energy: 0.425473720791454
Energy: 0.3742658389214686
Energy: 0.4254770496145434
Energy: 0.42546654625735775
Energy: 0.5000162551952486
Energy: 0.42563733797413206
Energy: 0.42576918738030045
Energy: 0.4144380320088018
Energy: 0.4255278505853562
Energy: 0.4027855979110625
Energy: 0.6119310977219867
Energy: 0.4163338714948885
Energy: 0.4161486031951989
Energy: 0.41655312363997254
Energy: 0.41590423806713056
Energy: 0.440199863690182
Energy: 0.500862041237086
Energy: 0.4141792180560773
Energy: 0.38595926201713543
Energy: 0.41558754811219867
Energy: 0.41398238761827816
Energy: 0.415892259812401
Energy: 0.5002391773855016
Energy: 0.41612716904758484
Energy: 0.416323231615754
Energy: 0.4156885962652268
Energy: 0.3862329707294321
Energy: 0.41637734472047677
Energy: 0.483440562107532
Energy: 0.3603594891813398
Energy: 0.3604782222910219
Energy: 0.45964585429785776
Energy: 0.36061008473007256
Energy: 0.36044917502445345
Energy: 0.42520382020947356
Energy: 0.36029497060892535
Energy: 0.3602998755308669
Energy: 0.4252328916149976
Energy: 0.36037465109701367
Energy: 0.36053603518000793
Energy: 0.42682592062643376
Energy: 0.4036360087543951
Energy: 0.426180923026551
Energy: 0.4255109933029239
Energy: 0.37413807221364564
Energy: 0.42539201968689483
Energy: 0.42600249412752095
Energy: 0.4143343398113295
Energy: 0.38235302401052457
Energy: 0.42579830049789497
Energy: 0.4143140031710847
Energy: 0.4027173671094252
Energy: 0.49978740913748587
Energy: 0.3862651004359108
Energy: 0.4159630248536293
Energy: 0.41646459898122296
Energy: 0.373687958728459
Energy: 0.40265579775124977
Energy: 0.41406946340481393
Energy: 0.41615502461256826
Energy: 0.38584648126409693
Energy: 0.41572834231346306
Energy: 0.4157225095863056
Energy: 0.386517371945875
Energy: 0.49992768393956344
Energy: 0.4155008949845722
Energy: 0.4166790398355776
Energy: 0.41595832202459243
Energy: 0.4155609365734823
Energy: 0.4163359481026822
Energy: 0.5798043142516187
Energy: 0.4026832206584725
Energy: 0.4025608673773653
Energy: 0.3605014294114953
Energy: 0.4025150957396223
Energy: 0.36039460573066273
Energy: 0.5806109117106947
Energy: 0.40275911988518265
Energy: 0.3606221449366149
Energy: 0.3605715752365286
Energy: 0.42527732058501133
Energy: 0.36047164408801524
Energy: 0.6124183392661298
Energy: 0.4252731663031062
Energy: 0.42544990430561974
Energy: 0.373281425013105
Energy: 0.4270434262995841
Energy: 0.402855966220019
Energy: 0.4996789247249888
Energy: 0.42555845543818255
Energy: 0.4255642995615493
Energy: 0.4144774890699456
Energy: 0.42560549332137054
Energy: 0.4255213899476096
Energy: 0.4990398901253711
Energy: 0.42554564453379473
Energy: 0.42550870366301874
Energy: 0.414242288750083
Energy: 0.4255275640968599
Energy: 0.4253715781209346
Energy: 0.49973639190216296
Energy: 0.414181053174811
Energy: 0.4164604891465853
Energy: 0.41617939530619646
Energy: 0.4139948808810904
Energy: 0.4156237418488247
Energy: 0.5005387037626479
Energy: 0.3862818847328733
Energy: 0.4165558472751356
Energy: 0.4156844398130731
Energy: 0.41606839683310315
Energy: 0.41643640921428915
Energy: 0.4995031104292875
Energy: 0.4027544686979742
Energy: 0.41639791293974937
Energy: 0.4157281100456618
Energy: 0.3737067911922522
Energy: 0.41612173873994707
Energy: 0.41720263555120757
Energy: 0.3605647403131422
Energy: 0.36049403075331915
Energy: 0.41715047210956957
Energy: 0.3604656323563629
Energy: 0.384322508579664
Energy: 0.4252868255861862
Energy: 0.37362091999449587
Energy: 0.40259992450820353
Energy: 0.42526189788803925
Energy: 0.3607244070479979
Energy: 0.42560710160108717
Energy: 0.42547539899628006
Energy: 0.37417319635655183
Energy: 0.42546168125322215
Energy: 0.425403561043897
Energy: 0.3742119519277945
Energy: 0.425456769797454
Energy: 0.4849550038968505
Energy: 0.41457305035538883
Energy: 0.41510174528126215
Energy: 0.4840885489320185
Energy: 0.41438276259596746
Energy: 0.4026190394329562
Energy: 0.4994954853729189
Energy: 0.4167367669064173
Energy: 0.4159311510563851
Energy: 0.4161733348736964
Energy: 0.41593283388842467
Energy: 0.440127081525696
Energy: 0.41413192761209944
Energy: 0.41759422714098854
Energy: 0.41600362752425385
Energy: 0.4140002095912614
Energy: 0.4160977459595543
Energy: 0.4160071777118414
Energy: 0.49983391443988234
Energy: 0.416740056260518
Energy: 0.4163941723414989
Energy: 0.38647292766132224
Energy: 0.41592975936497417
Energy: 0.416048689301198
Energy: 0.5796349988502627
Energy: 0.4024895094639384
Energy: 0.3605182947382087
Energy: 0.3604673445429216
Energy: 0.4024879621735491
Energy: 0.36041009485720144

minimum gb energy = 0.36029497060892535 eV
minimum distance =  2.72208579695247 Angstroms
sigma value = 27


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

Energy: 0.5013847632307845
Energy: 0.425446299518879
Energy: 0.5036746488048843
Energy: 0.3553416618270574
Energy: 0.42542975459494076
Energy: 0.583284304873238
Energy: 0.603513800487002
Energy: 0.4255207457585383
Energy: 0.425523293432719
Energy: 0.38835837028742815
Energy: 0.42531181964100695
Energy: 0.425738728398803
Energy: 0.6320388114881246
Energy: 0.4272045226018086
Energy: 0.42664249840477897
Energy: 0.3875208571681657
Energy: 0.42811115238394715
Energy: 0.4256390740966155
Energy: 0.6335373642172842
Energy: 0.4007861189845469
Energy: 0.40082333236269235
Energy: 0.38693393189602554
Energy: 0.40061643230999455
Energy: 0.40088162416623896
Energy: 0.49799085764097917
Energy: 0.3420601917598497
Energy: 0.38822813321590266
Energy: 0.40144539499366977
Energy: 0.34202414034231104
Energy: 0.40142912001053355
Energy: 0.42534806218647025
Energy: 0.34230529828449174
Energy: 0.34239453375119633
Energy: 0.42536906143059044
Energy: 0.3425092726158048
Energy: 0.34198834273788314
Energy: 0.42786202827702624
Energy: 0.3903408298453964
Energy: 0.4008423106980033
Energy: 0.42704808130153765
Energy: 0.3883672969721492
Energy: 0.4252436378555352
Energy: 0.42563769311663874
Energy: 0.39992821078500607
Energy: 0.40036101102637073
Energy: 0.4255896794690082
Energy: 0.4003209056684003
Energy: 0.4002620075510283
Energy: 0.4508139947866972
Energy: 0.4001396043191236
Energy: 0.4163986707487484
Energy: 0.4254259797055926
Energy: 0.3885885690380063
Energy: 0.4257112568715574
Energy: 0.39979279756631847
Energy: 0.36132198904595714
Energy: 0.35998059661779935
Energy: 0.3903613185991979
Energy: 0.36259676389041195
Energy: 0.3601255452948948
Energy: 0.4502656442650093
Energy: 0.3900001645330625
Energy: 0.3899456884746267
Energy: 0.38990430871434495
Energy: 0.43728432465679395
Energy: 0.36131177855166957
Energy: 0.7414364055408825
Energy: 0.3893948685483093
Energy: 0.38956093794780394
Energy: 0.3885875892949882
Energy: 0.38958414713699074
Energy: 0.4187307886127905

minimum gb energy = 0.34198834273788314 eV
minimum distance =  2.67986523846711 Angstroms
sigma value = 9


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

Energy: 0.8681699368493283
Energy: 0.7089890863750314
Energy: 0.451103054401104
Energy: 0.45093826780736207
Energy: 0.36652453039941085
Energy: 0.45140988256786635
Energy: 0.3856885110573946
Energy: 0.36772088530205416
Energy: 0.3674740635652107
Energy: 0.3699010323767644
Energy: 0.3676420257307939
Energy: 0.34977277128872486
Energy: 0.5033021843899523
Energy: 0.36769348474396246
Energy: 0.36806205882521487
Energy: 0.38000005702691075
Energy: 0.3682477820255365
Energy: 0.35060414487495317
Energy: 0.5030271046922193
Energy: 0.3496126555391573
Energy: 0.3644262124388825
Energy: 0.3690489498457411
Energy: 0.3572294691590356
Energy: 0.35384396688056335
Energy: 0.5597795961757643
Energy: 0.39044822321965383
Energy: 0.3688063446452259
Energy: 0.3771203900928454
Energy: 0.393074300106702
Energy: 0.38750132790515995
Energy: 0.37701021854464795
Energy: 0.33879345619948553
Energy: 0.3754521364115075
Energy: 0.37729573168838404
Energy: 0.3566889907334527
Energy: 0.37465543662481926
Energy: 0.377771698817265
Energy: 0.36537335415564953
Energy: 0.37734303124376767
Energy: 0.3783529044994768
Energy: 0.3678416832132891
Energy: 0.37714657646549943
Energy: 0.3775328208803222
Energy: 0.36884832717887245
Energy: 0.38920768057829713
Energy: 0.3775420332550142
Energy: 0.36805955317255673
Energy: 0.376712784828307
Energy: 0.5724713026370004
Energy: 0.37627192560051365
Energy: 0.36935321956232475
Energy: 0.3855106330653288
Energy: 0.3843222754669766
Energy: 0.35232032860703766
Energy: 0.5879784683888917
Energy: 0.3761081497123352
Energy: 0.39029551226920817
Energy: 0.3564301396289705
Energy: 0.3845317688882918
Energy: 0.3892929991980451
Energy: 0.5848210865651472
Energy: 0.3774059085090881
Energy: 0.37740895672217517
Energy: 0.3737034036670683
Energy: 0.37742111482947877
Energy: 0.37728340999038
Energy: 0.580498948381373
Energy: 0.3774545834415931
Energy: 0.37734649446266844
Energy: 0.3868165551331446
Energy: 0.37766996700234884
Energy: 0.37719686991677726
Energy: 0.501605268735657
Energy: 0.37731099783881406
Energy: 0.44382929974811597
Energy: 0.4212589657287893
Energy: 0.37734622347508345
Energy: 0.4432090251947764
Energy: 0.5761605549825894
Energy: 0.37731341245671113
Energy: 0.377383863860922
Energy: 0.37727117838478075
Energy: 0.37727072310136606
Energy: 0.3893908762222497
Energy: 0.36754238624807334
Energy: 0.37764064006756637
Energy: 0.37713571334738266
Energy: 0.36756735520664374
Energy: 0.3797857056426115
Energy: 0.3839647906047689
Energy: 0.36822304940749573
Energy: 0.349800174067917
Energy: 0.36333625837724737
Energy: 0.36900430991649763
Energy: 0.37767659632157696
Energy: 0.34974347051752536
Energy: 0.3674142093846508
Energy: 0.3711384563041929
Energy: 0.3898231049026584
Energy: 0.36732906059726533
Energy: 0.3838337572263843
Energy: 0.36752001303477166
Energy: 0.3847677111411296
Energy: 0.3529309564720679
Energy: 0.3880875236838451
Energy: 0.36706649511773015
Energy: 0.37784960610120205
Energy: 0.3776328868485186
Energy: 0.3841062194889137
Energy: 0.3711115344676667
Energy: 0.33279808990983306
Energy: 0.36932639644314397
Energy: 0.3513226526801785
Energy: 0.3516744290921599
Energy: 0.3846870149982932
Energy: 0.3686715636147004
Energy: 0.33444382017866653
Energy: 0.36826019668593435
Energy: 0.3681939901215728
Energy: 0.3310187617427779
Energy: 0.38363013804238577
Energy: 0.36910023430655775
Energy: 0.3516484101951539
Energy: 0.3775886174754564
Energy: 0.36865851880871225
Energy: 0.3515585023914675
Energy: 0.5822031678511298
Energy: 0.36699150928688723
Energy: 0.37730475632191235
Energy: 0.3889604772554903
Energy: 0.36706215064438996
Energy: 0.3751950074150736
Energy: 0.6097566544818432
Energy: 0.36760298302954436
Energy: 0.3674869972779908
Energy: 0.3924618326723469
Energy: 0.36763636380556697
Energy: 0.38009101495606834
Energy: 0.5029696176060724
Energy: 0.36783547451427
Energy: 0.3677622070527323
Energy: 0.38170193792522916
Energy: 0.3687727489210516
Energy: 0.3676370647224912
Energy: 0.5218321845809603
Energy: 0.35019651763536674
Energy: 0.374589929179274
Energy: 0.3734566865724953
Energy: 0.3672466105922892
Energy: 0.3745070651659981
Energy: 0.3835862861028067
Energy: 0.37696381230959525
Energy: 0.3652042520943694
Energy: 0.37590152408151695
Energy: 0.37755123300326643
Energy: 0.4051297988357431
Energy: 0.4443209591735439
Energy: 0.4080589480123719
Energy: 0.4388894160806602
Energy: 0.4443148962367924
Energy: 0.42858195518642783
Energy: 0.37483378498720926
Energy: 0.37748853525518683
Energy: 0.3652616615528146
Energy: 0.3774703841259197
Energy: 0.3774970653260668
Energy: 0.3859258141768779
Energy: 0.3774204759404252
Energy: 0.377563298906674
Energy: 0.3700793060528378
Energy: 0.3902125709276996
Energy: 0.3775391947989114
Energy: 0.38431515335055483
Energy: 0.37737695677560884
Energy: 0.5583226489153177
Energy: 0.36838137001671994
Energy: 0.35192343736209386
Energy: 0.3970594508883376
Energy: 0.3682765645983991
Energy: 0.3898836249020305
Energy: 0.5854319825260633
Energy: 0.38526995522995783
Energy: 0.4117216681180742
Energy: 0.37451209958952186
Energy: 0.3849664387048953
Energy: 0.40634895897857487
Energy: 0.5892864951455562
Energy: 0.3783019490595003
Energy: 0.37794806061768066
Energy: 0.35601488664902514
Energy: 0.3780290632752372
Energy: 0.3893588770507726
Energy: 0.47842036567683294
Energy: 0.37738591891188283
Energy: 0.37739104465719303
Energy: 0.38540330227746816
Energy: 0.3784481370912651
Energy: 0.37720016458588396
Energy: 0.5878520492703796
Energy: 0.3772396597517453
Energy: 0.3772862274831868
Energy: 0.3764198635786412
Energy: 0.3772086573648801
Energy: 0.37725418893431
Energy: 0.5872443704773338
Energy: 0.37737406243524946
Energy: 0.40514229264954565
Energy: 0.38303374395826284
Energy: 0.377622020874386
Energy: 0.3660550317386688
Energy: 0.3882446324907336
Energy: 0.3775459756876921
Energy: 0.33195792837578963
Energy: 0.3687355358155759
Energy: 0.37909867593724256
Energy: 0.35697539727582894
Energy: 0.36805671843107474
Energy: 0.3513684562112324
Energy: 0.35759260595129744
Energy: 0.36868318590015564
Energy: 0.3778830429105687
Energy: 0.34961519032749516
Energy: 0.36760531619945164
Energy: 0.3699051679295152
Energy: 0.3508923896927601
Energy: 0.3675431466793295
Energy: 0.3695268552467894
Energy: 0.3673487933609699
Energy: 0.3670094260331453
Energy: 0.4044572115955609
Energy: 0.4424703037951137
Energy: 0.36739049601927587
Energy: 0.4219548109182595
Energy: 0.3834422880806784
Energy: 0.3832265536403212
Energy: 0.3699686245657036
Energy: 0.3697095581410868
Energy: 0.36771045743811664
Energy: 0.3692136254743289
Energy: 0.367308768644575
Energy: 0.3842419181849177
Energy: 0.3337928359979384
Energy: 0.33701707554602894
Energy: 0.3680528016058148
Energy: 0.36833616791677465
Energy: 0.3514684354639335
Energy: 0.38346712449735804
Energy: 0.36906205667118647
Energy: 0.36982962051973045
Energy: 0.3493362651146743
Energy: 0.3684639438175054
Energy: 0.34999932466061634
Energy: 0.608410608808078
Energy: 0.36753830378080954
Energy: 0.36706191400144955
Energy: 0.3917321890722738
Energy: 0.36740983757838686
Energy: 0.3914553630113327

minimum gb energy = 0.3310187617427779 eV
minimum distance =  2.63906173171516 Angstroms
sigma value = 57


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

Energy: 0.3015221824522235
Energy: 0.3154938067697662
Energy: 0.17922565195932716
Energy: 0.1656581512890924
Energy: 0.3290220440513218
Energy: 0.2777731472319965
Energy: 0.4176785538421559
Energy: 0.32056721600151206
Energy: 0.32282577227203046
Energy: 0.31945806175195585
Energy: 0.32149943290975314
Energy: 0.34307285123598286
Energy: 0.41039500025310094
Energy: 0.3903223307257172
Energy: 0.3231739793372027
Energy: 0.31623585719785713
Energy: 0.32064281563775326
Energy: 0.4028367231931769
Energy: 0.4034284529784853
Energy: 0.3938249425222405
Energy: 0.37350734407537084
Energy: 0.3647188629237976
Energy: 0.3685887509461898
Energy: 0.3768338200882444
Energy: 0.38735445667404106
Energy: 0.22964580937186566
Energy: 0.22935456257353756
Energy: 0.3783198994567741
Energy: 0.16458457880733368
Energy: 0.36426459790797167
Energy: 0.3893052866012129
Energy: 0.23666806125079776
Energy: 0.23870190665962396
Energy: 0.3883156369693233
Energy: 0.16440569329297366
Energy: 0.1786518485797092
Energy: 0.3890491907117666
Energy: 0.3777301613552088
Energy: 0.3812079740670298
Energy: 0.3918686540982194
Energy: 0.3676718514188162
Energy: 0.37424892973867674
Energy: 0.3917242081319319
Energy: 0.3945724485072353
Energy: 0.4069349936213481
Energy: 0.38602961948048276
Energy: 0.37266796732659685
Energy: 0.3905953307401648
Energy: 0.39593402332357464
Energy: 0.3878957196642493
Energy: 0.3854712699695549
Energy: 0.3947606562052106
Energy: 0.3950090037216048
Energy: 0.3942596562215513
Energy: 0.16442804383167034
Energy: 0.4061297302633473
Energy: 0.17938324873344774
Energy: 0.1644046919698512
Energy: 0.40949250270778803
Energy: 0.1652208780557268
Energy: 0.1643597363740227
Energy: 0.39340512145305484
Energy: 0.4006325967607945
Energy: 0.16440740247141059
Energy: 0.390534375042636
Energy: 0.17981605701940392
Energy: 0.4020958360513624
Energy: 0.3945309571623146
Energy: 0.38638234650891173
Energy: 0.3786838895475133
Energy: 0.38802938762649053
Energy: 0.380108394341535
Energy: 0.40687068859566483
Energy: 0.3745135826949198
Energy: 0.38512845723414046
Energy: 0.387623178286525
Energy: 0.39660306447913
Energy: 0.4145263017924074
Energy: 0.40287490617237126
Energy: 0.3727668884588364
Energy: 0.38486920313362305
Energy: 0.38840795553837365
Energy: 0.3722410331082939
Energy: 0.38203060675952866
Energy: 0.36272225360148636
Energy: 0.16448024323594296
Energy: 0.16448611136397273
Energy: 0.36242528226805937
Energy: 0.23426754469734262
Energy: 0.22813889352576378
Energy: 0.36805807985487404
Energy: 0.35409630220095173
Energy: 0.3675018099420579
Energy: 0.37304719338663034
Energy: 0.23337029366114886
Energy: 0.37633851629354803
Energy: 0.37936962550643394
Energy: 0.36764484989452095
Energy: 0.3594436906847163
Energy: 0.3648786135781867
Energy: 0.39492829699664633
Energy: 0.37988251466778394
Energy: 0.4106566621942057
Energy: 0.3308592610984547
Energy: 0.3217801136968878
Energy: 0.31380878212331503
Energy: 0.32084500275009187
Energy: 0.3206826624505939
Energy: 0.30176235338724156
Energy: 0.3206615140496442
Energy: 0.3224389475400824
Energy: 0.16444380358477245
Energy: 0.3219695232012696
Energy: 0.31400453698804215

minimum gb energy = 0.1643597363740227 eV
minimum distance =  2.66266527464941 Angstroms
sigma value = 11


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

Energy: 0.5710148395717053
Energy: 0.3361570709081814
Energy: 0.3581258776763951
Energy: 0.40576558446934013
Energy: 0.3368760604145483
Energy: 0.3591513182805325
Energy: 0.4186250118189973
Energy: 0.34936291734929414
Energy: 0.3389774277843566
Energy: 0.3442830035402668
Energy: 0.333809989887107
Energy: 0.33439128497597265
Energy: 0.3350021901872893
Energy: 0.33212475351494813
Energy: 0.3324436536828139
Energy: 0.3358209862923859
Energy: 0.33084581168653626
Energy: 0.33754690503864593
Energy: 0.33504983552770135
Energy: 0.3337306497942498
Energy: 0.3382074309911853
Energy: 0.3358011988171689
Energy: 0.3392107607243923
Energy: 0.33621167612565206
Energy: 0.33285651536714506
Energy: 0.3408919303656629
Energy: 0.32786574764622833
Energy: 0.3471108072072828
Energy: 0.3708269621081119
Energy: 0.3511373412038651
Energy: 0.43325389161785255
Energy: 0.3459687034611938
Energy: 0.3302369485089205
Energy: 0.34683880241817183
Energy: 0.35332373880698875
Energy: 0.3373936561741674
Energy: 0.43098252148687616
Energy: 0.3357121469431558
Energy: 0.3262436082191073
Energy: 0.33969513621250896
Energy: 0.34025381657002085
Energy: 0.3253715266138049
Energy: 0.3641304765808032
Energy: 0.36065508801532914
Energy: 0.3577683331095429
Energy: 0.35051187107221493
Energy: 0.3599909749329788
Energy: 0.35774736823054704
Energy: 0.43385200097930915
Energy: 0.3361624412760653
Energy: 0.33249386087930416
Energy: 0.3433020401228159
Energy: 0.34336746359358206
Energy: 0.35119141822798666
Energy: 0.5320713848417136
Energy: 0.33548496966824537
Energy: 0.33836405268075836
Energy: 0.34191500815323184
Energy: 0.34207188713393216
Energy: 0.33181571865320103
Energy: 0.5551361597494945
Energy: 0.3410855175449016
Energy: 0.34417676463495406
Energy: 0.3762504693235726
Energy: 0.3323251692911743
Energy: 0.34117115250651564
Energy: 0.4618138689766135
Energy: 0.31039747086867636
Energy: 0.3258378020511637
Energy: 0.3484692792854684
Energy: 0.31736041578476964
Energy: 0.3430153840159973
Energy: 0.37854631491751656
Energy: 0.3113657488229514
Energy: 0.3492601535325055
Energy: 0.36050817349500935
Energy: 0.31561298331966103
Energy: 0.342139907350323
Energy: 0.3771218960956119
Energy: 0.34329467314282297
Energy: 0.34193282603324254
Energy: 0.37650394565100975
Energy: 0.34161870031691904
Energy: 0.3414549829952202
Energy: 0.37515735608727646
Energy: 0.38260170949630584
Energy: 0.40598907917392196
Energy: 0.3432636171876664
Energy: 0.3816203671904986
Energy: 0.3287755573687972
Energy: 0.5548408177267323
Energy: 0.34501246045525047
Energy: 0.34209495001218604
Energy: 0.3610194383182221
Energy: 0.34314298243424374
Energy: 0.3423830238595192
Energy: 0.5021752799709186
Energy: 0.44808461212940776
Energy: 0.3518284107269734
Energy: 0.3882102773803363
Energy: 0.43592403014683356
Energy: 0.3182512482800115
Energy: 0.552922940948715
Energy: 0.3415189598496121
Energy: 0.3440943020214791
Energy: 0.3729114553510562
Energy: 0.34098194343337745
Energy: 0.34494309976069987
Energy: 0.5279403109500771
Energy: 0.34685975018217696
Energy: 0.3477022632790867
Energy: 0.3473004415980135
Energy: 0.35258996203276394
Energy: 0.3339920661108177
Energy: 0.4280476879835828
Energy: 0.48204849084983376
Energy: 0.33962600386195196
Energy: 0.3336762139217857
Energy: 0.3990426237858945
Energy: 0.332768579744159
Energy: 0.532111030667278
Energy: 0.3420115676759317
Energy: 0.3466629745972904
Energy: 0.3410696959012058
Energy: 0.3658769861436721
Energy: 0.34066647895451857
Energy: 0.3425910647427757
Energy: 0.4421920405051929
Energy: 0.3419463404002952
Energy: 0.3325542050165925
Energy: 0.3199299141355218
Energy: 0.447270433566193
Energy: 0.34512080223440195
Energy: 0.3449519370255715
Energy: 0.34229353647972893
Energy: 0.3442327346850933
Energy: 0.35514987628067457
Energy: 0.3318831861952757
Energy: 0.3454735281018572
Energy: 0.33423818722531157
Energy: 0.3337589697148962
Energy: 0.3465001377030421
Energy: 0.3347716420377249
Energy: 0.332486402130794
Energy: 0.34032268669031635
Energy: 0.33662823375958256
Energy: 0.335248639226063
Energy: 0.3392737741703453
Energy: 0.3363707352299394
Energy: 0.33623003116215006
Energy: 0.5542431176333551
Energy: 0.3594057572338188
Energy: 0.33334344627643614
Energy: 0.3809629500398114
Energy: 0.34660763208729467
Energy: 0.3150251966591133

minimum gb energy = 0.31039747086867636 eV
minimum distance =  2.69303393885296 Angstroms
sigma value = 41


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

Energy: 0.7149555051041215
Energy: 0.37524041364291877
Energy: 0.4316901741108283
Energy: 0.4904290565154451
Energy: 0.37447417174257974
Energy: 0.490567893302187
Energy: 0.4909392085829578
Energy: 0.355621064881013
Energy: 0.36791876595877626
Energy: 0.3574826358404466
Energy: 0.3704309122551747
Energy: 0.3575926003678029
Energy: 0.3698774569898288
Energy: 0.3607709314402975
Energy: 0.36129818099203115
Energy: 0.37066231562268065
Energy: 0.36166425297449445
Energy: 0.3517485002225785
Energy: 0.37043370341454895
Energy: 0.3660638674014389
Energy: 0.35656157656098325
Energy: 0.3712943505624155
Energy: 0.36205755914302407
Energy: 0.3602390358348969
Energy: 0.37035967715280166
Energy: 0.36957755005086357
Energy: 0.3696185870821818
Energy: 0.37283060403670065
Energy: 0.37646064272453583
Energy: 0.35937009735781666
Energy: 0.5015793977036078
Energy: 0.35600601130778187
Energy: 0.36249969901846746
Energy: 0.37228022611117856
Energy: 0.3699678977943314
Energy: 0.37371427124143086
Energy: 0.5076105443596246
Energy: 0.3695253302966938
Energy: 0.3570718226259583
Energy: 0.3712348522139786
Energy: 0.37512447137590105
Energy: 0.35749492149913603
Energy: 0.4185613402748353
Energy: 0.3769951717279634
Energy: 0.3727165080358515
Energy: 0.34443086701491843
Energy: 0.3775455685119065
Energy: 0.3354006542182306
Energy: 0.5020672153500781
Energy: 0.36808711155413876
Energy: 0.36792154663830934
Energy: 0.3664876575384092
Energy: 0.36057501246881757
Energy: 0.3606203186260705
Energy: 0.5069647866582798
Energy: 0.36912003919793723
Energy: 0.3831336908193589
Energy: 0.3691876511222106
Energy: 0.37960385800213764
Energy: 0.38225014357792386
Energy: 0.5067858984003724
Energy: 0.3641260451312767
Energy: 0.3809709326088929
Energy: 0.3694347917204079
Energy: 0.3705191167820296
Energy: 0.37106401291577706
Energy: 0.5544236370374731
Energy: 0.34171366356179966
Energy: 0.3431856073419893
Energy: 0.37033928218010526
Energy: 0.3329284543524274
Energy: 0.3763175137128533
Energy: 0.3815564764590144
Energy: 0.3416806273691848
Energy: 0.3439203722656724
Energy: 0.37507852238996753
Energy: 0.33291237799248097
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Energy: 0.3639581070150838
Energy: 0.37637333249940075
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Energy: 0.365963483416538
Energy: 0.36012089949248566
Energy: 0.4132104352328285
Energy: 0.4141536312623708
Energy: 0.41315585310354286
Energy: 0.4139086111703774
Energy: 0.4148180678885022
Energy: 0.4126186840671263
Energy: 0.48992384407575307
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Energy: 0.35821702356183927
Energy: 0.38114584731461876
Energy: 0.3711412366044972
Energy: 0.35669385266357345
Energy: 0.6136704906857299
Energy: 0.356744665322885
Energy: 0.3430544861920366
Energy: 0.33254223317077236
Energy: 0.3700136673893583
Energy: 0.4046315536761327
Energy: 0.632948956878176
Energy: 0.3649826725966855
Energy: 0.3602159982555393
Energy: 0.40017785579576176
Energy: 0.3732425189702367
Energy: 0.3440820305062701
Energy: 0.37028990775392073
Energy: 0.36155538365374407
Energy: 0.3615899420541116
Energy: 0.3703014834523324
Energy: 0.37132485232906826
Energy: 0.3564893341561983
Energy: 0.36901810819003217
Energy: 0.35249854548664894
Energy: 0.35631622541822033
Energy: 0.37029154133102193
Energy: 0.37253057579199833
Energy: 0.3615488764280403
Energy: 0.37036115188868707
Energy: 0.35699437661980243
Energy: 0.3590528108237053
Energy: 0.37316766966022075
Energy: 0.35786905292238347
Energy: 0.358014341281616
Energy: 0.4749767318925008
Energy: 0.376228283206529
Energy: 0.4347992282691984
Energy: 0.4745870119068744
Energy: 0.3765604383156519
Energy: 0.4432208377615178
Energy: 0.5018253433623432
Energy: 0.3692617726776995
Energy: 0.35820989009630005
Energy: 0.3733449050014186
Energy: 0.3577234958620677
Energy: 0.3569950167406342
Energy: 0.41894653665027765
Energy: 0.41348810764200566
Energy: 0.4240678601813957
Energy: 0.34448879145405314
Energy: 0.4144555995666654
Energy: 0.3354593305360795
Energy: 0.5077217183480492
Energy: 0.37028021153677326
Energy: 0.35865594652330235
Energy: 0.37405128597252024
Energy: 0.37214158834801003
Energy: 0.3600025255211866
Energy: 0.5070466427857618
Energy: 0.36624575715019786
Energy: 0.37780152959760244
Energy: 0.37021796934424833
Energy: 0.3738338910797857
Energy: 0.37038117042508434
Energy: 0.5070273413346067
Energy: 0.36465540207382247
Energy: 0.38122828544416565
Energy: 0.3689899732471785
Energy: 0.3706823481791027
Energy: 0.3848504801920178
Energy: 0.618245050110145
Energy: 0.3433277825209391
Energy: 0.3699625706622826
Energy: 0.37161526742282663
Energy: 0.3422916368173922
Energy: 0.3708240648719352
Energy: 0.3823589013741559
Energy: 0.34365316695914366
Energy: 0.34368831681648726
Energy: 0.37979686183324973
Energy: 0.3718902563506258
Energy: 0.3434998524621785
Energy: 0.38087498618212456
Energy: 0.36375720796267585
Energy: 0.3706467290875829
Energy: 0.38049988217680814
Energy: 0.37218132752222716
Energy: 0.37007796694155737
Energy: 0.37715069070150525
Energy: 0.37480384443592873
Energy: 0.3610932399916351
Energy: 0.37380664207578784
Energy: 0.36212052795037775
Energy: 0.3636619202537085
Energy: 0.49289903745661956
Energy: 0.36657723160585365
Energy: 0.3561035348419935
Energy: 0.37806842089491954
Energy: 0.3717602000482624
Energy: 0.362377499602352
Energy: 0.6162595414032552
Energy: 0.3665920976447533
Energy: 0.34618149481374194
Energy: 0.33311718668922796
Energy: 0.36513664025506326
Energy: 0.37749369556882445

minimum gb energy = 0.33254223317077236 eV
minimum distance =  2.63262018793634 Angstroms
sigma value = 33


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

Energy: 0.47595584874639946
Energy: 0.7788183893207008
Energy: 0.600807244930234
Energy: 0.4710239557171048
Energy: 0.7773954827423019
Energy: 0.6009011325017987
Energy: 0.4067575285099725
Energy: 0.3847891942828673
Energy: 0.3846150764582765
Energy: 0.38020285568451345
Energy: 0.40887901044633823
Energy: 0.38661641791200035
Energy: 0.40536755042381045
Energy: 0.371669736967466
Energy: 0.37021233664534364
Energy: 0.40651689777578165
Energy: 0.3736002234288771
Energy: 0.37160406967584514
Energy: 0.40548055542706446
Energy: 0.3753627686422537
Energy: 0.37290446109704517
Energy: 0.406192121342996
Energy: 0.37204532697521353
Energy: 0.3732019069452953
Energy: 0.4061744455105173
Energy: 0.3806459995855248
Energy: 0.37556813356472846
Energy: 0.4148805778462868
Energy: 0.38537779368119085
Energy: 0.37659158699636536
Energy: 0.4678627962293704
Energy: 0.3820838627938604
Energy: 0.380467018447927
Energy: 0.43038527262526527
Energy: 0.3712732168407741
Energy: 0.38076587597716466
Energy: 0.5814333672007839
Energy: 0.37910779320154336
Energy: 0.40198168888729197
Energy: 0.4153966532953741
Energy: 0.3889693049444889
Energy: 0.37326640766598623
Energy: 0.47652576546181274
Energy: 0.3772287824279081
Energy: 0.35777528357620836
Energy: 0.35907725634224996
Energy: 0.385174408378307
Energy: 0.35774982347122664
Energy: 0.45092372761849064
Energy: 0.3817962008535435
Energy: 0.3822078754646668
Energy: 0.37601977996236063
Energy: 0.38009697600475584
Energy: 0.37753338644155465
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Energy: 0.3787736936820221
Energy: 0.4063381573060444
Energy: 0.37617586975984046
Energy: 0.40151524377604125
Energy: 0.5855332617552081
Energy: 0.3795860223998833
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Energy: 0.45381786268699775
Energy: 0.3581662373131253
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Energy: 0.41533722095909614
Energy: 0.3650987843421835
Energy: 0.3702619430387524
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Energy: 0.35775348512074306
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Energy: 0.3623176823746933
Energy: 0.37856555731489544
Energy: 0.4080079566397759
Energy: 0.38682349835894003
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Energy: 0.4089014078001727
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Energy: 0.3745312783397618
Energy: 0.35760128693784826
Energy: 0.3715486771143621
Energy: 0.3698640897170026
Energy: 0.3722391270170891
Energy: 0.37088675487482375
Energy: 0.36921407842844556
Energy: 0.41024817422045656
Energy: 0.42598211488785886
Energy: 0.3744907375924803
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Energy: 0.4088862483688363
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Energy: 0.5823930864638575
Energy: 0.43230152623891493
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Energy: 0.3763954515592832
Energy: 0.4067242897123332
Energy: 0.41582225417500335
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Energy: 0.3870315421470281
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Energy: 0.37208444488379705
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Energy: 0.3591739702579386
Energy: 0.35769896406786383
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Energy: 0.42836344100604823
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Energy: 0.38317573590398374
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Energy: 0.37925031394580316
Energy: 0.48104727101703826
Energy: 0.48124164235654976
Energy: 0.47992715658416074
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Energy: 0.48039318100878176
Energy: 0.5517466042493885
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Energy: 0.47672784415599045
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Energy: 0.3602169996993724
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Energy: 0.3584761974890375
Energy: 0.7174722402467248
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Energy: 0.38361166525668966
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Energy: 0.3603394398838456
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Energy: 0.37514387359390805
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Energy: 0.3784255438368618
Energy: 0.3759654422361902
Energy: 0.3955361036302153
Energy: 0.3785295689084697
Energy: 0.4821699420361757
Energy: 0.48081799847684414
Energy: 0.4805533460888664
Energy: 0.480837392241686
Energy: 0.4810142701302903
Energy: 0.4808879324426627
Energy: 0.5474366644007889
Energy: 0.38378611092641035
Energy: 0.382133596941679
Energy: 0.38771343127902846
Energy: 0.4168636901651391
Energy: 0.40318944571543386
Energy: 0.7148854250101131
Energy: 0.4055796375365819
Energy: 0.36958333885343087
Energy: 0.36011937573617236
Energy: 0.5355264574605884
Energy: 0.4017651213248786

minimum gb energy = 0.3574255870586606 eV
minimum distance =  2.66765142926278 Angstroms
sigma value = 67


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

Energy: 0.5605022669264714
Energy: 0.6369848225180994
Energy: 0.3721702757992078
Energy: 0.3722411827475955
Energy: 0.637852078387172
Energy: 0.372273243239879
Energy: 0.4370225165422622
Energy: 0.4054152722359662
Energy: 0.40579260761786823
Energy: 0.40447258412129233
Energy: 0.44500724740211156
Energy: 0.40457636888646936
Energy: 0.44159613430682804
Energy: 0.36760982315275664
Energy: 0.3874231686443243
Energy: 0.38703791391470166
Energy: 0.3693754469022778
Energy: 0.3871762056519569
Energy: 0.441162404566574
Energy: 0.3933294483955164
Energy: 0.39269696407887866
Energy: 0.3898598493501963
Energy: 0.3887534589288267
Energy: 0.39277410492155035
Energy: 0.4389229513748265
Energy: 0.40458271839993376
Energy: 0.4051604399807422
Energy: 0.4388470857434624
Energy: 0.4070840359942073
Energy: 0.4062431377612052
Energy: 0.43791322595599386
Energy: 0.38380519173670125
Energy: 0.4058076368791505
Energy: 0.4382837542338955
Energy: 0.38191727328594927
Energy: 0.4399757079036262
Energy: 0.49421007194726546
Energy: 0.4055260285422949
Energy: 0.40609267299535623
Energy: 0.4511391930430633
Energy: 0.4429100440544108
Energy: 0.4058869146033317

minimum gb energy = 0.36760982315275664 eV
minimum distance =  2.7190673205528 Angstroms
sigma value = 3


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

Energy: 0.683242624922266
Energy: 0.7469578502729259
Energy: 0.5110157799789057
Energy: 0.4658124940302646
Energy: 0.7456414788800014
Energy: 0.5120674020054155
Energy: 0.43816111389968543
Energy: 0.47588003858389477
Energy: 0.45418446650274014
Energy: 0.4564578637040329
Energy: 0.519542978808794
Energy: 0.4501432498913267
Energy: 0.4883160730182643
Energy: 0.4371241140892807
Energy: 0.4475292713557312
Energy: 0.488764031771365
Energy: 0.43733803257444587
Energy: 0.4504391150113359
Energy: 0.4385801957674847
Energy: 0.43831022261100167
Energy: 0.4377539487588642
Energy: 0.43973370279076923
Energy: 0.4421404964579681
Energy: 0.4378651832690997
Energy: 0.44352984670743967
Energy: 0.45714657332589376
Energy: 0.4562875405999806
Energy: 0.44369819348951617
Energy: 0.45611541197784355
Energy: 0.45696801210908006
Energy: 0.4710479940758301
Energy: 0.4656096296437236
Energy: 0.4705625827657999
Energy: 0.4835026372792857
Energy: 0.45299818856567464
Energy: 0.4689575337327114
Energy: 0.44051719300450304
Energy: 0.4824698289055005
Energy: 0.4836447253340887
Energy: 0.47039591608088843
Energy: 0.5179933159565464
Energy: 0.4701577899333996
Energy: 0.5729799864959125
Energy: 0.46411534769091495
Energy: 0.48938864338986876
Energy: 0.44398265462045516
Energy: 0.4646110411299597
Energy: 0.5137022788500683
Energy: 0.47413206920216167
Energy: 0.5017302704960339
Energy: 0.4696989510692922
Energy: 0.5107326223114225
Energy: 0.5000818176175791
Energy: 0.4690630705289242
Energy: 0.5221309974606896
Energy: 0.44488229599261
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Energy: 0.48695410269851924
Energy: 0.44429861250057145
Energy: 0.4527078348209965
Energy: 0.5068734207966755
Energy: 0.45762882176462827
Energy: 0.46832833436135435
Energy: 0.49639879269450143
Energy: 0.4573556711612581
Energy: 0.47302483456017624
Energy: 0.5110004571778215
Energy: 0.4659357116250809
Energy: 0.46775081989104733
Energy: 0.48163342420761274
Energy: 0.47909461686392035
Energy: 0.46896205408874836
Energy: 0.49773749041571874
Energy: 0.44081306040011137
Energy: 0.46887735831869837
Energy: 0.4672932778189175
Energy: 0.446941327453126
Energy: 0.4694216208294297
Energy: 0.49593450784496745
Energy: 0.4425263077442022
Energy: 0.43751570187742883
Energy: 0.4717064843017792
Energy: 0.4395832146928528
Energy: 0.437346467116921
Energy: 0.524043727827063
Energy: 0.4405510551206033
Energy: 0.44011025821821836
Energy: 0.46055910779212916
Energy: 0.44032071907187925
Energy: 0.4854046213819077
Energy: 0.5489187059935718
Energy: 0.4531927913540975
Energy: 0.4486523880317904
Energy: 0.4624641772983455
Energy: 0.4497496694462134
Energy: 0.4485356057939372
Energy: 0.5652976412093921
Energy: 0.4526722459141939
Energy: 0.4741757890401974
Energy: 0.5361640010504991
Energy: 0.4525707765782944
Energy: 0.4518200752193837
Energy: 0.5200405357687551
Energy: 0.45945965483116086
Energy: 0.46277367999308194
Energy: 0.4856728620913386
Energy: 0.4757161147685553
Energy: 0.4629132173545361
Energy: 0.5969805378759574
Energy: 0.4513486497612189
Energy: 0.4541663749996131
Energy: 0.44427088887017513
Energy: 0.5029953509509574
Energy: 0.44448205301592314
Energy: 0.5479567712185414
Energy: 0.465297615882415
Energy: 0.4685756439234997
Energy: 0.4443475293093071
Energy: 0.47108923136545244
Energy: 0.4444068136749387
Energy: 0.47557272462665223
Energy: 0.46316808715776386
Energy: 0.4616899986353897
Energy: 0.4816585654574333
Energy: 0.46869568572969894
Energy: 0.4746483723811137
Energy: 0.47085713124276085
Energy: 0.48136763280671735
Energy: 0.4743840454053404
Energy: 0.4714153313406614
Energy: 0.47344012566492255
Energy: 0.4750012187761423
Energy: 0.4704763226343761
Energy: 0.4778671538000157
Energy: 0.47393668444125486
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Energy: 0.48777848036369614
Energy: 0.47882462053607544
Energy: 0.4721603138287002
Energy: 0.43906445570884955
Energy: 0.464683265293723
Energy: 0.47259167451175116
Energy: 0.4389597263812884
Energy: 0.47176749061567225
Energy: 0.43634507366851266
Energy: 0.45678185662903326
Energy: 0.45627434210865675
Energy: 0.4586290173441565
Energy: 0.45654080669702163
Energy: 0.4613516455567771
Energy: 0.7120779583063509
Energy: 0.44154166582420684
Energy: 0.4901235593906321
Energy: 0.4557816073962084
Energy: 0.521418104709663
Energy: 0.45573534737383087
Energy: 0.6118071893219795
Energy: 0.5192199025996177
Energy: 0.4701486631443306
Energy: 0.4564651560068417
Energy: 0.5481522336148077
Energy: 0.45571507423333407
Energy: 0.43709414015934145
Energy: 0.45670705878583695
Energy: 0.44209688055934737
Energy: 0.45721083226016934
Energy: 0.4573358310456723
Energy: 0.4603735081913182
Energy: 0.44654143786465594
Energy: 0.4376080392272541
Energy: 0.4360119214810941
Energy: 0.4465629860461486
Energy: 0.43776992902738865
Energy: 0.44448153254254746
Energy: 0.44473937198514996
Energy: 0.45470846640715284
Energy: 0.4513536224435244
Energy: 0.44587998977098176
Energy: 0.5068061353925662
Energy: 0.4462758904618242
Energy: 0.44605137088604035
Energy: 0.45541226512684185
Energy: 0.4549437100484537
Energy: 0.4569871243394053
Energy: 0.46536654550831735
Energy: 0.4542633566156462
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Energy: 0.47341319888381345
Energy: 0.4715111657474003
Energy: 0.46909483022483384
Energy: 0.5141983528705603
Energy: 0.4685458561488994
Energy: 0.5727839895903735
Energy: 0.5048168431335582
Energy: 0.44322320430185286
Energy: 0.4376936485388777
Energy: 0.5039500867881425
Energy: 0.45480476294754046
Energy: 0.5981033425176473
Energy: 0.46482797896637557
Energy: 0.4658639589425576
Energy: 0.4527513103506259
Energy: 0.50605762981343
Energy: 0.4675357747259902
Energy: 0.4671780830228885
Energy: 0.45771418727575525
Energy: 0.46858935222495857
Energy: 0.47092664496963327
Energy: 0.45733751224769276
Energy: 0.4670501345548979
Energy: 0.5172066509574296
Energy: 0.4444599484037541
Energy: 0.44665044742177407
Energy: 0.5093235538578664
Energy: 0.4440483076853701
Energy: 0.47599905389737335
Energy: 0.5181307287632432
Energy: 0.4686908931202536
Energy: 0.46782204584546816
Energy: 0.4882003282286514
Energy: 0.46742846127775295
Energy: 0.4834553176450312
Energy: 0.5732108486611844
Energy: 0.4782412270804042
Energy: 0.4801045116510715
Energy: 0.4683769612951128
Energy: 0.475125307219888
Energy: 0.47254311291301454
Energy: 0.4828177526333845
Energy: 0.4449693835162582
Energy: 0.43974279140710165
Energy: 0.4877279226144188
Energy: 0.44173372983553977
Energy: 0.4403756671181617
Energy: 0.5236806766919015
Energy: 0.43925980167860473
Energy: 0.43910071724452443
Energy: 0.46024660030524894
Energy: 0.4453593669791136
Energy: 0.43902054202615354
Energy: 0.5592515076915702
Energy: 0.4530545434778976
Energy: 0.4549881472411253
Energy: 0.4504098132611409
Energy: 0.4854903074101521
Energy: 0.44611938430022813
Energy: 0.5745854065204266
Energy: 0.4875648774771025
Energy: 0.4699394529031396
Energy: 0.5637059003041596
Energy: 0.45287652315291244
Energy: 0.46362018346266454
Energy: 0.55559197125119
Energy: 0.4523895693535079
Energy: 0.453192516478817
Energy: 0.48396361412960004
Energy: 0.4524051433559809
Energy: 0.4458899896911435
Energy: 0.5591057301041459
Energy: 0.45191479283583585
Energy: 0.44604118143186194
Energy: 0.45330834320485797
Energy: 0.46142341627678163
Energy: 0.44979488950602253
Energy: 0.6716756266349501
Energy: 0.46405310802000727
Energy: 0.4652723174478493
Energy: 0.47101385954591846
Energy: 0.46401979412437233
Energy: 0.4672199280666931
Energy: 0.4646294350882925
Energy: 0.4658292543941147
Energy: 0.4715194676505281
Energy: 0.4664304717053881
Energy: 0.4654581137563892
Energy: 0.4673643359398626
Energy: 0.46440867947568837
Energy: 0.47839849740635443
Energy: 0.47674315126921035
Energy: 0.47485232602796346
Energy: 0.46548454077672957
Energy: 0.475767131556692
Energy: 0.4676786004849334
Energy: 0.47666612656410196
Energy: 0.47433773650434313
Energy: 0.46835390138987165
Energy: 0.481664145465522
Energy: 0.4719203532946477
Energy: 0.4675388724068241
Energy: 0.43697218420259837
Energy: 0.4497496034377462
Energy: 0.4679801003230129
Energy: 0.43813739050557715
Energy: 0.4502406349683839
Energy: 0.4886999047081314
Energy: 0.4387098865941447
Energy: 0.44454737855105303
Energy: 0.4901128483514116
Energy: 0.4379552441486831
Energy: 0.45076116953168616
Energy: 0.5081281778478032
Energy: 0.4789046751468974
Energy: 0.46389528413005227
Energy: 0.47259149745772333
Energy: 0.5010022164297863
Energy: 0.47201690392214657

minimum gb energy = 0.4360119214810941 eV
minimum distance =  2.62831689003903 Angstroms
sigma value = 81


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

Energy: 0.9798931937039863
Energy: 0.508719495225454
Energy: 0.47870726719405604
Energy: 0.47690356896209357
Energy: 0.5246595220197551
Energy: 0.47860409986599184
Energy: 0.4463461272550771
Energy: 0.45619050935480737
Energy: 0.4599970776499584
Energy: 0.4495407682479629
Energy: 0.45675977512648624
Energy: 0.4612170578206038
Energy: 0.4960090437076763
Energy: 0.4565759047344963
Energy: 0.45047404039119127
Energy: 0.4750513632954826
Energy: 0.44970737522686915
Energy: 0.4704042082788169
Energy: 0.4472384305393484
Energy: 0.4553071903941515
Energy: 0.4682022607484812
Energy: 0.44768267274599916
Energy: 0.4475902023413111
Energy: 0.44621813711016306
Energy: 0.4483702091547834
Energy: 0.45983382295343045
Energy: 0.46271193691652274
Energy: 0.4443706817382537
Energy: 0.459359531975774
Energy: 0.4497363641519678
Energy: 0.4757803180974667
Energy: 0.45686249648035154
Energy: 0.45898714760161385
Energy: 0.4686684781117096
Energy: 0.4577838350410129
Energy: 0.4623717811967202
Energy: 0.4543561219789699
Energy: 0.4521484793623643
Energy: 0.44198740864567043
Energy: 0.44794597938986835
Energy: 0.4415822411724489
Energy: 0.45126059796299406
Energy: 0.5673067679618683
Energy: 0.549065840117657
Energy: 0.5494120706525444
Energy: 0.4342805814104487
Energy: 0.4869414644636736
Energy: 0.4431561689396977
Energy: 0.5066224302979466
Energy: 0.45316486782035786
Energy: 0.45158788138025524
Energy: 0.45964076931935416
Energy: 0.4439880998994709
Energy: 0.4536565199265516
Energy: 0.4787878744851063
Energy: 0.44750551638373237
Energy: 0.437225095672725
Energy: 0.44747741563943616
Energy: 0.4475402316215143
Energy: 0.44164413943207553
Energy: 0.48056879963768145
Energy: 0.45213483898053997
Energy: 0.4478747967233767
Energy: 0.46891972413074273
Energy: 0.4534509788983927
Energy: 0.44766647453509506
Energy: 0.48812174066870834
Energy: 0.46099667650078685
Energy: 0.46063776776265675
Energy: 0.4401979004740018
Energy: 0.47138275542489666
Energy: 0.46176014284125033
Energy: 0.4918440565554989
Energy: 0.4401468519111952
Energy: 0.4629431140163304
Energy: 0.4565312945467559
Energy: 0.4431264300081846
Energy: 0.4509438402157207
Energy: 0.44451043674933194
Energy: 0.45177254030104474
Energy: 0.4498765395185166
Energy: 0.4396351505081347
Energy: 0.4410488256815191
Energy: 0.450630141211072
Energy: 0.5209447198221159
Energy: 0.46285022375550805
Energy: 0.4787503337919845
Energy: 0.4594359050574206
Energy: 0.4625605337841076
Energy: 0.45962332089930735
Energy: 0.4431669526180248
Energy: 0.46013209546917716
Energy: 0.4601893400040257
Energy: 0.44395128254056215
Energy: 0.451522649464883
Energy: 0.46067062275722526
Energy: 0.5308612814441821
Energy: 0.4332465372874562
Energy: 0.44202906516703744
Energy: 0.4898498470673304
Energy: 0.4332055214565855
Energy: 0.44219343442091125
Energy: 0.4301587432534151
Energy: 0.44505758862842326
Energy: 0.45645694929101605
Energy: 0.43014149367062016
Energy: 0.4447084978566497
Energy: 0.4566897649996805
Energy: 0.5140177489354593
Energy: 0.4741583496290203
Energy: 0.4770314485558056
Energy: 0.4663020597724108
Energy: 0.4738671990846635
Energy: 0.4558831994131065
Energy: 0.514545566887411
Energy: 0.4742367244694822
Energy: 0.47706980369169466
Energy: 0.45777263513572286
Energy: 0.474324526956938
Energy: 0.45593312093946325
Energy: 0.43011676219517675
Energy: 0.46762886654545743
Energy: 0.4468498896650645
Energy: 0.43016906769856295
Energy: 0.44080333959926354
Energy: 0.46428022336473
Energy: 0.45483634874367956
Energy: 0.4576575220794995
Energy: 0.4714111550795119
Energy: 0.4761552428270551
Energy: 0.4573579914336467
Energy: 0.4720273859193892
Energy: 0.44165756879620416
Energy: 0.4734518246566201
Energy: 0.45185199154818384
Energy: 0.4424758028895507
Energy: 0.4542902225503844
Energy: 0.4521063601937172
Energy: 0.43961959949657414
Energy: 0.46465255232723585
Energy: 0.453876305545547
Energy: 0.45396593562363113
Energy: 0.47873701658886947
Energy: 0.4545567222906651
Energy: 0.4400078307191373
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Energy: 0.461356548539862
Energy: 0.43864294627077377
Energy: 0.45427564800140874
Energy: 0.45980738449055125
Energy: 0.5664924813890998
Energy: 0.4777553340858747
Energy: 0.4932428805147917
Energy: 0.43261462315439386
Energy: 0.47878378232596647
Energy: 0.4561194991107057
Energy: 0.5674259725341536
Energy: 0.5050958999362004
Energy: 0.4513580973410004
Energy: 0.4225444106090708
Energy: 0.476215598700215
Energy: 0.4545934525297482
Energy: 0.4833040388042263
Energy: 0.4526930555450944
Energy: 0.450933923402267
Energy: 0.46889234531294655
Energy: 0.45264766826647995
Energy: 0.4478713604032182
Energy: 0.4901271841923034
Energy: 0.4374828968578155
Energy: 0.4443490722010509
Energy: 0.4641098721970994
Energy: 0.44723155625301364
Energy: 0.441858023347313
Energy: 0.5080530130071935
Energy: 0.461226547550774
Energy: 0.4558093823868344
Energy: 0.4608918179135478
Energy: 0.44366378372871285
Energy: 0.45612994407159557
Energy: 0.4919561057757531
Energy: 0.4692039629866432
Energy: 0.46916357584614543
Energy: 0.45708412420235955
Energy: 0.4692640388934051
Energy: 0.47177766033475926
Energy: 0.458508079641813
Energy: 0.4405850434557583
Energy: 0.42689452851645376
Energy: 0.45757398803708704
Energy: 0.43921127479999583
Energy: 0.44033127687086865
Energy: 0.5255624142823137
Energy: 0.4509907773093385
Energy: 0.45927260739809683
Energy: 0.46965265681750556
Energy: 0.446754110193324
Energy: 0.4647662714571034
Energy: 0.5243843126652216
Energy: 0.46404116408264745
Energy: 0.4649996843550809
Energy: 0.4590466698486965
Energy: 0.4605943097511817
Energy: 0.4633210992129011
Energy: 0.44919545561283303
Energy: 0.45648558383954385
Energy: 0.46220733989245455
Energy: 0.47131570505678605
Energy: 0.4223078923177044
Energy: 0.4618825387458945
Energy: 0.528767576299833
Energy: 0.4328667753683007
Energy: 0.4326376662590091
Energy: 0.48367625994977087
Energy: 0.4330416008578072
Energy: 0.4974190168938502
Energy: 0.44706720450107224
Energy: 0.45572329673707884
Energy: 0.45851838013995705
Energy: 0.44892127068120813
Energy: 0.4562740425022893
Energy: 0.4582883141877975
Energy: 0.5825222138085174
Energy: 0.47840807327313906
Energy: 0.4904656105406704
Energy: 0.45630999473219797
Energy: 0.5008857110335199
Energy: 0.4910294040382773

minimum gb energy = 0.4223078923177044 eV
minimum distance =  2.62249005200706 Angstroms
sigma value = 43


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

Energy: 0.8156337503771416
Energy: 0.5643718634074542
Energy: 0.5177327372418455
Energy: 0.4659425114487321
Energy: 0.564474391868657
Energy: 0.4657354352075976
Energy: 0.4309878523708606
Energy: 0.4721875013571882
Energy: 0.47695323493021874
Energy: 0.4433290152768664
Energy: 0.4512240423445328
Energy: 0.43002491907597246
Energy: 0.4300383477677584
Energy: 0.41653224170040143
Energy: 0.4159040396324509
Energy: 0.4435950915247555
Energy: 0.41560592096603854
Energy: 0.4504752323015897
Energy: 0.4298692714153173
Energy: 0.4159199630609476
Energy: 0.43014045872035367
Energy: 0.4298669977584187
Energy: 0.41550277162785154
Energy: 0.42984047569488515
Energy: 0.4322312540192252
Energy: 0.4809692741085661
Energy: 0.48238792752874826
Energy: 0.43267841096339205
Energy: 0.4784520841419173
Energy: 0.47952693540164465
Energy: 0.4315399623843839
Energy: 0.4797121527695146
Energy: 0.4828353475259471
Energy: 0.47984874679019546
Energy: 0.4345138363064021
Energy: 0.4829242502252666
Energy: 0.44063705265558906
Energy: 0.4295783672134594
Energy: 0.4295929285924196
Energy: 0.46291586463754636
Energy: 0.43021353939976936
Energy: 0.42941733933646586
Energy: 0.5156848958633721
Energy: 0.4304679701958341
Energy: 0.4742515720342741
Energy: 0.43232631047676917
Energy: 0.4302529122260908
Energy: 0.47559127321914774
Energy: 0.45179416233056974
Energy: 0.4504743546726197
Energy: 0.4295628300245383
Energy: 0.4335502935536557
Energy: 0.4520559490376343
Energy: 0.43043075817537413
Energy: 0.5740897490437092
Energy: 0.4303945373071755
Energy: 0.45019245898677923
Energy: 0.5044263721794644
Energy: 0.45028158355635767
Energy: 0.4496526743330618
Energy: 0.4156290208283687
Energy: 0.434916596137764
Energy: 0.45122091959287525
Energy: 0.44970275906551704
Energy: 0.476908822718467
Energy: 0.4758657424489698
Energy: 0.48203458836351476
Energy: 0.45117295180759676
Energy: 0.45111626039762803
Energy: 0.41349740886081365
Energy: 0.45126649286226483
Energy: 0.43021040097937785
Energy: 0.5513612335407787
Energy: 0.4502656471486427
Energy: 0.4439263070792508
Energy: 0.43604208800460786
Energy: 0.4504010733478747
Energy: 0.44439872691064286
Energy: 0.4154701010505619
Energy: 0.46535408202449385
Energy: 0.47654349971843124
Energy: 0.43335529269016365
Energy: 0.44499849301558797
Energy: 0.47815488808526124
Energy: 0.4157454835705862
Energy: 0.47970681840397383
Energy: 0.48045730058455927
Energy: 0.4148250797763632
Energy: 0.4786225187331723
Energy: 0.4812350577936347
Energy: 0.41565320927402494
Energy: 0.46026566103765476
Energy: 0.4148462609459734
Energy: 0.41659146484943077
Energy: 0.4754913947113899
Energy: 0.41467281666306716
Energy: 0.4143921466483502
Energy: 0.4320858520590666
Energy: 0.43191984093004965
Energy: 0.4144943495513858
Energy: 0.4777860950663225
Energy: 0.41486604145944384
Energy: 0.41483272913300856
Energy: 0.45113736650535746
Energy: 0.4460263902837289
Energy: 0.46496181341461457
Energy: 0.4613655812652514
Energy: 0.4648073223296189
Energy: 0.45059832252086507
Energy: 0.46609499869616805
Energy: 0.46568950192272124
Energy: 0.41442717742368157
Energy: 0.4646864718061151
Energy: 0.4292978213313471
Energy: 0.4859622165211157
Energy: 0.4666621868321651
Energy: 0.46566337310193395
Energy: 0.429260858753425
Energy: 0.46574194479443726
Energy: 0.4295093446034277
Energy: 0.41471952515342864
Energy: 0.43999987297086945
Energy: 0.43999202494725814
Energy: 0.45460086505727804
Energy: 0.4683609179229182
Energy: 0.43790186593047015
Energy: 0.5213044399989687
Energy: 0.4451496043769257
Energy: 0.482687957266539
Energy: 0.5280670613766929
Energy: 0.414803736455825
Energy: 0.4824606977758186
Energy: 0.4791180795630102
Energy: 0.4653520393487925
Energy: 0.43987785583854533
Energy: 0.45271148898550906
Energy: 0.4532927745084334
Energy: 0.4399161839727792
Energy: 0.4768242240170761
Energy: 0.4648551147261086
Energy: 0.4656016865935795
Energy: 0.43690465247577065
Energy: 0.41497541314322856
Energy: 0.44593382171952
Energy: 0.48071582277363967
Energy: 0.41463068750207
Energy: 0.41463944838452843
Energy: 0.46666604553917707
Energy: 0.4146438080232699
Energy: 0.4146434353769648
Energy: 0.46357466620650145
Energy: 0.41526357687018306
Energy: 0.41572209761016643
Energy: 0.4471431367628043
Energy: 0.4147679757339071
Energy: 0.414812192229368
Energy: 0.4633844254353264
Energy: 0.47653984307705655
Energy: 0.48013474173611803
Energy: 0.4701075883061956
Energy: 0.4757717118688847
Energy: 0.4800031663135126
Energy: 0.46118389582350905
Energy: 0.47629127417107364
Energy: 0.43418090555103966
Energy: 0.4503834366506329
Energy: 0.4334078226155858
Energy: 0.4302866986179495
Energy: 0.4742011307894879
Energy: 0.4306400922219762
Energy: 0.4508525182196685
Energy: 0.47426265097990816
Energy: 0.4316055301441644
Energy: 0.4719540349334577
Energy: 0.4294840811123013
Energy: 0.4452897930729513
Energy: 0.4765595428556727
Energy: 0.4521520176995107
Energy: 0.43337304506123164
Energy: 0.4297600669954444
Energy: 0.5424844889999324
Energy: 0.5190567754290928
Energy: 0.49846996732455273
Energy: 0.4452870199333161
Energy: 0.4878336741423891
Energy: 0.43586840209029576

minimum gb energy = 0.41349740886081365 eV
minimum distance =  2.6293858107214 Angstroms
sigma value = 57


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

Energy: 0.6024099677951286
Energy: 0.4792147533859241
Energy: 0.47747119821428013
Energy: 0.40600481041468856
Energy: 0.5060279867791573
Energy: 0.4768340342255651
Energy: 0.4173050127289861
Energy: 0.42005406868982187
Energy: 0.42107301218788884
Energy: 0.42032451294562945
Energy: 0.41998863319087715
Energy: 0.48924961453347937
Energy: 0.4178082609046823
Energy: 0.38063493064605536
Energy: 0.38095678568675917
Energy: 0.4178000182631388
Energy: 0.3804239533405218
Energy: 0.38121857765670764
Energy: 0.41953353653545844
Energy: 0.38114744334719836
Energy: 0.3809235530031841
Energy: 0.4166555752963167
Energy: 0.3807479277873054
Energy: 0.41659514515685536
Energy: 0.41673163176852035
Energy: 0.39641455934220854
Energy: 0.39801560656329904
Energy: 0.41707063233149244
Energy: 0.39632566412890397
Energy: 0.39754490076147025
Energy: 0.3812713149900496
Energy: 0.397170790530444
Energy: 0.3971393282223084
Energy: 0.47533464741048387
Energy: 0.41778677289590366
Energy: 0.39780781120264846
Energy: 0.4714694900496977
Energy: 0.4174127069237005
Energy: 0.41623041678390643
Energy: 0.4720369086009557
Energy: 0.4184454538255946
Energy: 0.41656032969752227
Energy: 0.41609278704062597
Energy: 0.47504724499278833
Energy: 0.47599314102838175
Energy: 0.39840663896931117
Energy: 0.47487397839208606
Energy: 0.4187890573637236
Energy: 0.419904350014411
Energy: 0.42081267839518055
Energy: 0.4180816691159535
Energy: 0.4205029100575397
Energy: 0.42133640307225545
Energy: 0.41788317625978827
Energy: 0.5060548659258228
Energy: 0.41730541354653117
Energy: 0.4174645014333483
Energy: 0.5067110370650328
Energy: 0.41724342454820834
Energy: 0.41686632151600367
Energy: 0.4675855384983144
Energy: 0.4168645614098738
Energy: 0.4714191661279996
Energy: 0.42040125326237543
Energy: 0.41673288090700433
Energy: 0.41796453891995766
Energy: 0.3806908312282109
Energy: 0.4669541091398111
Energy: 0.4679941512862806
Energy: 0.38231033725627966
Energy: 0.4201438872386746
Energy: 0.4517539971642781
Energy: 0.38182657173357115
Energy: 0.4287805063881087
Energy: 0.45235891364940545
Energy: 0.45201473979109946
Energy: 0.42810745338864703
Energy: 0.4523616965592054
Energy: 0.4168911843839551
Energy: 0.4207843845211072
Energy: 0.41756392779296486
Energy: 0.42130429314731566
Energy: 0.42041047041364304
Energy: 0.41750787779394255
Energy: 0.4167303692268136
Energy: 0.4726155223612974
Energy: 0.4756226181176786
Energy: 0.4172692909812464
Energy: 0.4724414745984882
Energy: 0.47425760868942074
Energy: 0.41662919235957996
Energy: 0.3969568327310453
Energy: 0.39696450116420906
Energy: 0.4174229728607678
Energy: 0.4205253395364877
Energy: 0.41720767529351926
Energy: 0.41667668187631307
Energy: 0.4342428800390176
Energy: 0.4361410982026739
Energy: 0.41845462732508515
Energy: 0.4747180829581429
Energy: 0.43570082502852614
Energy: 0.41702830080590275
Energy: 0.41724853113565175
Energy: 0.39805180821171304
Energy: 0.39702654281258987
Energy: 0.4169929107940652
Energy: 0.39767392900959336
Energy: 0.42157036999168973
Energy: 0.41659744472314497
Energy: 0.41673486232006984
Energy: 0.43430055419424957
Energy: 0.41638228359322554
Energy: 0.4172241559042183
Energy: 0.4209859216895873
Energy: 0.417928989095816
Energy: 0.4176747078012678
Energy: 0.4686930452896149
Energy: 0.4723018901850254
Energy: 0.417864240506378
Energy: 0.4214250331097393
Energy: 0.421129769185496
Energy: 0.42172567374720743
Energy: 0.4203183062219601
Energy: 0.4207176666543799
Energy: 0.41755196042614234
Energy: 0.5060075440872709
Energy: 0.41875448277340355
Energy: 0.41773071028137215
Energy: 0.47646266863251013
Energy: 0.417563558174337
Energy: 0.41720245022323893
Energy: 0.41687701779967845
Energy: 0.42061450446772514
Energy: 0.41781261069858416
Energy: 0.42129624443439107
Energy: 0.4209076233567717
Energy: 0.4687182330827511
Energy: 0.38195550642143733
Energy: 0.4288408606251098
Energy: 0.4524768147056096
Energy: 0.4519981151762327
Energy: 0.4208096406096271
Energy: 0.45253415600915325

minimum gb energy = 0.3804239533405218 eV
minimum distance =  2.67083515392835 Angstroms
sigma value = 17


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

Energy: 0.518378491087675
Energy: 0.5929229255754619
Energy: 0.5127397037261747
Energy: 0.4125037428849626
Energy: 0.5922235464970679
Energy: 0.4136531947569334
Energy: 0.4274786476351567
Energy: 0.4357907231024235
Energy: 0.4351486146978174
Energy: 0.4413514925922105
Energy: 0.4405264933579865
Energy: 0.40226786702568035
Energy: 0.4353558768883102
Energy: 0.3852387320941469
Energy: 0.385073018827009
Energy: 0.43602466172654236
Energy: 0.38543477674123633
Energy: 0.38544432117899974
Energy: 0.4357610870432904
Energy: 0.38509211757604
Energy: 0.38508222358828065
Energy: 0.4356322709290497
Energy: 0.38944130022358703
Energy: 0.43536650583166314
Energy: 0.37626431786476483
Energy: 0.4259600533278323
Energy: 0.4261865026457126
Energy: 0.37688243262332993
Energy: 0.4257606141329602
Energy: 0.42542478070791107
Energy: 0.38482947827374886
Energy: 0.3707338998370084
Energy: 0.37084015713053825
Energy: 0.3551058656398216
Energy: 0.3706084726327379
Energy: 0.35538874814728394
Energy: 0.3763096645025751
Energy: 0.3708693863400958
Energy: 0.37079593492542734
Energy: 0.3761732648841841
Energy: 0.37247930114356964
Energy: 0.37081104004251286
Energy: 0.37059198266178517
Energy: 0.4143284812016184
Energy: 0.414194395143283
Energy: 0.41419044392274
Energy: 0.40980447574211704
Energy: 0.38657174578105286
Energy: 0.371405425641028
Energy: 0.37269293328336994
Energy: 0.3717621618922688
Energy: 0.3721531565192091
Energy: 0.3775977382380531
Energy: 0.37069330436396414
Energy: 0.37032672016647783
Energy: 0.3715361842509618
Energy: 0.3717599509965183
Energy: 0.37051218118553814
Energy: 0.3712771925962274
Energy: 0.37196685222398335
Energy: 0.45447338429841466
Energy: 0.4047885911179885
Energy: 0.37050235072399207
Energy: 0.42592868326267813
Energy: 0.43495492123201074
Energy: 0.3720527325910091
Energy: 0.3717276445455528
Energy: 0.43560490021156495
Energy: 0.43516271146724206
Energy: 0.40111580304644373
Energy: 0.43535669861493365
Energy: 0.4354454009117529
Energy: 0.4333799184208358
Energy: 0.43595300171376417
Energy: 0.43558584207812534
Energy: 0.40121696726988754
Energy: 0.43558552984111965
Energy: 0.43583302558172365
Energy: 0.5272148984220939
Energy: 0.43562628524034025
Energy: 0.43571854118780134
Energy: 0.4359474472083031
Energy: 0.43592119722219863
Energy: 0.4020044545058317
Energy: 0.5034487982455462
Energy: 0.435993808455031
Energy: 0.46124421020359335
Energy: 0.44395745455756586
Energy: 0.4364779604276569
Energy: 0.46219320153781146
Energy: 0.5067435882569653
Energy: 0.4405335705763357
Energy: 0.5012986820387706
Energy: 0.4365985771503963
Energy: 0.4414311930148119
Energy: 0.4351204266544032
Energy: 0.5067441042818346
Energy: 0.4359421013742947
Energy: 0.48539436674573194
Energy: 0.4494573638183386
Energy: 0.4443255548811351
Energy: 0.4852061341502809

minimum gb energy = 0.3551058656398216 eV
minimum distance =  2.64790171669806 Angstroms
sigma value = 17


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

Energy: 0.5003987667203191
Energy: 0.561915823195745
Energy: 0.41993686275191405
Energy: 0.4177925960388735
Energy: 0.6125079033412031
Energy: 0.4207432782031088
Energy: 0.48519929643331805
Energy: 0.44408859870347633
Energy: 0.4404423932094204
Energy: 0.44431777182433657
Energy: 0.441953694856857
Energy: 0.40959110008320027
Energy: 0.5425841374760833
Energy: 0.3522067230278055
Energy: 0.39567128734420726
Energy: 0.4426695853493726
Energy: 0.3887750566529352
Energy: 0.3956495198792207
Energy: 0.44489332880549304
Energy: 0.3957252310702424
Energy: 0.3958226275352954
Energy: 0.4453906613472843
Energy: 0.4777255794704074
Energy: 0.3958476039706755
Energy: 0.38072240584230516
Energy: 0.42624046307147584
Energy: 0.3764345526383445
Energy: 0.38102489913788384
Energy: 0.42678604296432227
Energy: 0.37555327202263644
Energy: 0.39603508454545444
Energy: 0.37482722162433707
Energy: 0.3534834128963946
Energy: 0.3523385307366291
Energy: 0.37481587178748116
Energy: 0.352290712938753
Energy: 0.4118054920158883
Energy: 0.37823894101656697
Energy: 0.3746376926036818
Energy: 0.34680016495599975
Energy: 0.3757257214917677
Energy: 0.36679015185836866
Energy: 0.3458508068529432
Energy: 0.33896286880902066
Energy: 0.39807070933880695
Energy: 0.40131293972238774
Energy: 0.339289601779595
Energy: 0.3992377632829799
Energy: 0.3484838434162266
Energy: 0.34659941324890886
Energy: 0.34620533338166326
Energy: 0.3475167340236157
Energy: 0.3501352816048616
Energy: 0.34653270607871584
Energy: 0.3466718240545267
Energy: 0.3898705230055848
Energy: 0.3792967148397472
Energy: 0.3466321968392803
Energy: 0.38935484928774605
Energy: 0.39163821998751525
Energy: 0.3565926568330104
Energy: 0.34630795054262337
Energy: 0.3465847569248372
Energy: 0.3899389270154435
Energy: 0.34647724648838707
Energy: 0.3906077280660397
Energy: 0.4081698149614699
Energy: 0.3465031530165004
Energy: 0.3465339683908705
Energy: 0.40862211330866355
Energy: 0.3493126927808108
Energy: 0.3461321376235786
Energy: 0.3746769646495961
Energy: 0.39798652433126214
Energy: 0.34744541490416786
Energy: 0.37458959457280866
Energy: 0.39763451816124296
Energy: 0.34645266666922186
Energy: 0.37528742012868804
Energy: 0.4497909801008135
Energy: 0.37517697059124533
Energy: 0.3762919016083894
Energy: 0.3462477069519596
Energy: 0.3748457566748073
Energy: 0.3747300613742897
Energy: 0.3467216111712324
Energy: 0.3467164807505002
Energy: 0.37482515270487576
Energy: 0.34680186608118946
Energy: 0.3754477360790037
Energy: 0.44722847366918195
Energy: 0.3832302388946091
Energy: 0.3765767700193092
Energy: 0.4271407288701736
Energy: 0.4427959287806125
Energy: 0.3760036378763245
Energy: 0.46820457441997787
Energy: 0.44192273031268664
Energy: 0.44210781724292525
Energy: 0.4687568543344615
Energy: 0.44214927279120436
Energy: 0.37430999084586963
Energy: 0.44360439777115585
Energy: 0.4415194604685248
Energy: 0.44150317080949875
Energy: 0.44382781531935284
Energy: 0.44163882051935716
Energy: 0.3748673242018606
Energy: 0.4480205978795884
Energy: 0.44100416225160527
Energy: 0.41148386658861985
Energy: 0.3820372207108645
Energy: 0.5000194429910235
Energy: 0.4111476750752124
Energy: 0.4473148863743227
Energy: 0.3751004371142475
Energy: 0.39720780271326367
Energy: 0.448589517548785
Energy: 0.3745057704703378
Energy: 0.4429486319991408
Energy: 0.5586869787039724
Energy: 0.44052451104707324
Energy: 0.44031573120954165
Energy: 0.44199002750586924
Energy: 0.4445606053601178
Energy: 0.44021107912734586
Energy: 0.4762296697668562
Energy: 0.44619652519688296
Energy: 0.48641169026150416
Energy: 0.39553906989660476
Energy: 0.4460504944790025
Energy: 0.3956697208789891
Energy: 0.4767485878799983
Energy: 0.4439699915501679
Energy: 0.44076217438844123
Energy: 0.47739998323951555
Energy: 0.4429207595050437
Energy: 0.4859951260563313
Energy: 0.5464832787892038
Energy: 0.388645650952984
Energy: 0.4402990209768743
Energy: 0.44380736261788706
Energy: 0.47917018494936875
Energy: 0.4408044675690969
Energy: 0.4428230766391691
Energy: 0.3520102939558563
Energy: 0.39584471681471695
Energy: 0.4424661060459012
Energy: 0.3520491280697273
Energy: 0.39591868908683403
Energy: 0.3825805980464438
Energy: 0.4289735579904436
Energy: 0.37714240021656775
Energy: 0.3830021097559591
Energy: 0.42866431530798027
Energy: 0.409026554898073
Energy: 0.39629767108598085
Energy: 0.37692308122976576
Energy: 0.3754154260937504
Energy: 0.3521771725636743
Energy: 0.4332393321889439
Energy: 0.3522308294069723
Energy: 0.40359975863283964
Energy: 0.3783032496840277
Energy: 0.3748838171684925
Energy: 0.4043433750205252
Energy: 0.3761159923537187
Energy: 0.3749522927556626
Energy: 0.39970470408418546
Energy: 0.36692707633570054
Energy: 0.3955809032202962
Energy: 0.44541221522467284
Energy: 0.3536080097953646
Energy: 0.3963486694891003
Energy: 0.3538498277680668
Energy: 0.3392434982157347
Energy: 0.3465589409953428
Energy: 0.34665466969478037
Energy: 0.3391823674224373
Energy: 0.34616679108411835
Energy: 0.3486994005793588
Energy: 0.3899791036166571
Energy: 0.3899179487054909
Energy: 0.34938341324032607
Energy: 0.3902906045326928
Energy: 0.34636770328811317
Energy: 0.34691367226341274
Energy: 0.4330688788532026
Energy: 0.4341113680253914
Energy: 0.3620323470416377
Energy: 0.3457912470943833
Energy: 0.43484276600417343
Energy: 0.38909456993075436
Energy: 0.3493772400205801
Energy: 0.34649891274664124
Energy: 0.3898613359810851
Energy: 0.34880772582797603
Energy: 0.3464442943081255
Energy: 0.3747095976415122
Energy: 0.34666467685055086
Energy: 0.34620995867375937
Energy: 0.34697192022590084
Energy: 0.34588480851787723
Energy: 0.4485629571847647
Energy: 0.37756682952332354
Energy: 0.442967034446944
Energy: 0.3947685149885315
Energy: 0.37829810396649294
Energy: 0.4442734227795355
Energy: 0.3662104546884587
Energy: 0.3748220112101869
Energy: 0.3464961077704592
Energy: 0.375056870106945
Energy: 0.3747687773680231
Energy: 0.3470401099118741
Energy: 0.37503839277728784
Energy: 0.37737686393873904
Energy: 0.37539603849805675
Energy: 0.37525647177178434
Energy: 0.3761631887115487
Energy: 0.41173141165278343
Energy: 0.37521635240620305
Energy: 0.46985255802639025
Energy: 0.4411572890623219
Energy: 0.44070767986752285
Energy: 0.5033405032599915
Energy: 0.44272695843387405
Energy: 0.4119590309078015
Energy: 0.44162196295685824
Energy: 0.4418581391749782
Energy: 0.37681935550953227
Energy: 0.3744989898353408
Energy: 0.4622578317136748
Energy: 0.37516421117382676
Energy: 0.4390435338152816
Energy: 0.44187995653172446
Energy: 0.44091849132289485
Energy: 0.3820359087847678
Energy: 0.4423153594625164
Energy: 0.4090489936014062
Energy: 0.46239089541694695
Energy: 0.3741219442973098
Energy: 0.44121240718925864
Energy: 0.4426108581518093
Energy: 0.3744224594069544
Energy: 0.44223326778971145
Energy: 0.5448401823710017
Energy: 0.41323294552005874
Energy: 0.43903316067917414
Energy: 0.4446141630819346
Energy: 0.4798615295158954
Energy: 0.44037146020544754
Energy: 0.47722149172120853
Energy: 0.4427518673521591
Energy: 0.441060995924926
Energy: 0.4779654601245946
Energy: 0.4454001129301711
Energy: 0.4832554792731569

minimum gb energy = 0.33896286880902066 eV
minimum distance =  2.64138280418926 Angstroms
sigma value = 57


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

Energy: 0.42784446397627995
Energy: 0.5346680308922953
Energy: 0.41632837285245183
Energy: 0.3594322479320704
Energy: 0.5840467332802128
Energy: 0.41748247776335706
Energy: 0.4743449461166412
Energy: 0.43904686038238155
Energy: 0.38141164083851004
Energy: 0.43994159222024554
Energy: 0.4371125488826425
Energy: 0.4083470315885225
Energy: 0.5218553465554352
Energy: 0.3535653102030347
Energy: 0.3537816915870463
Energy: 0.4424880918115312
Energy: 0.3534513789360748
Energy: 0.3963825910849041
Energy: 0.44148878997381347
Energy: 0.3532782879196171
Energy: 0.39628458652470644
Energy: 0.44189758144168884
Energy: 0.4179203754338852
Energy: 0.39649731201342076
Energy: 0.4167199624728044
Energy: 0.37964336876564553
Energy: 0.38235316027955557
Energy: 0.4173159878769487
Energy: 0.3774052181173035
Energy: 0.37582793729602
Energy: 0.3538202436488685
Energy: 0.3754112829543145
Energy: 0.3542815392076422
Energy: 0.3322748549734199
Energy: 0.37551087766077773
Energy: 0.3539896320228825
Energy: 0.4368360684506488
Energy: 0.3797227048848792
Energy: 0.3820987257276277
Energy: 0.35978619462876893
Energy: 0.37851203863726757
Energy: 0.364709528010183
Energy: 0.3428603789423813
Energy: 0.33213410095659696
Energy: 0.33236653570665453
Energy: 0.3446202726117272
Energy: 0.33169428060310047
Energy: 0.34406801948829496
Energy: 0.34557112582875626
Energy: 0.3433345405878068
Energy: 0.34324847641522355
Energy: 0.34628982630043814
Energy: 0.3755271208025767
Energy: 0.3431765535861587
Energy: 0.34316941261504236
Energy: 0.4138778070609961
Energy: 0.373746225249648
Energy: 0.3431748601070026
Energy: 0.41514428656969343
Energy: 0.36938445887821575
Energy: 0.331891406968137
Energy: 0.32877849457496566
Energy: 0.32891370616158655
Energy: 0.33024943499013854
Energy: 0.3380944271764318
Energy: 0.32989035234971664
Energy: 0.3717225303651634
Energy: 0.3333732819120661
Energy: 0.3365173587609935
Energy: 0.3711147447308933
Energy: 0.3334476789382301
Energy: 0.3292535174252538
Energy: 0.3285750425513741
Energy: 0.34196629786210564
Energy: 0.40909877455653954
Energy: 0.32868164972423536
Energy: 0.3434479385833185
Energy: 0.4147446668192043
Energy: 0.3293457322874641
Energy: 0.3704472241779698
Energy: 0.3288693702375902
Energy: 0.3301912350694893
Energy: 0.3986270882122867
Energy: 0.33608525543192797
Energy: 0.3288995241970481
Energy: 0.33023950167786675
Energy: 0.3298634352096189
Energy: 0.3288718921976198
Energy: 0.3304883948172448
Energy: 0.32979253315238044
Energy: 0.3536122228494993
Energy: 0.3433617678536509
Energy: 0.3433695410074009
Energy: 0.37469886319952844
Energy: 0.348597852439476
Energy: 0.4124888885081268
Energy: 0.39789930845722954
Energy: 0.3498248517790713
Energy: 0.3430872573092988
Energy: 0.3430860313958706
Energy: 0.34785108163760237
Energy: 0.343289189011523
Energy: 0.37638923289486587
Energy: 0.3492240113247795
Energy: 0.3436940107418598
Energy: 0.377303644634381
Energy: 0.34855692481675477
Energy: 0.3436969327330831
Energy: 0.37585967500350537
Energy: 0.36165011645048
Energy: 0.3754872110160766
Energy: 0.3767430376645282
Energy: 0.3433816831756731
Energy: 0.37568433435450077
Energy: 0.3753564339492428
Energy: 0.34350649780718406
Energy: 0.3439153933136869
Energy: 0.3751791054085447
Energy: 0.34355560120697387
Energy: 0.37535436667555294
Energy: 0.4827386657033272
Energy: 0.38149992955089307
Energy: 0.37929313052981684
Energy: 0.42245783165612133
Energy: 0.43039883797047646
Energy: 0.37662385525284797
Energy: 0.4242468522447616
Energy: 0.43699625840149836
Energy: 0.375744162750443
Energy: 0.3431633714678715
Energy: 0.44332305457228743
Energy: 0.37552929927950846
Energy: 0.4383104460733813
Energy: 0.44345982778758586
Energy: 0.4362855505043433
Energy: 0.4388916735284393
Energy: 0.4409422684257044
Energy: 0.43573221132080026
Energy: 0.4992300410653006
Energy: 0.3767742361157877
Energy: 0.4099980836347618
Energy: 0.37922165098671434
Energy: 0.47700553457034706
Energy: 0.3821926860341106
Energy: 0.5247307158869616
Energy: 0.3752386140154512
Energy: 0.3753711006669391
Energy: 0.48095272289928387
Energy: 0.3757246661879881
Energy: 0.43704426128956775
Energy: 0.549914258465769
Energy: 0.439132978370689
Energy: 0.4416500757915672
Energy: 0.4373567876754208
Energy: 0.4385460492028868
Energy: 0.4612368267330729
Energy: 0.42917139841775326
Energy: 0.4380630526753836
Energy: 0.3966026631811284
Energy: 0.3541232525377424
Energy: 0.43692987263752114
Energy: 0.396394682737086

minimum gb energy = 0.3285750425513741 eV
minimum distance =  2.64318643833763 Angstroms
sigma value = 43


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

Energy: 0.3671086396863024
Energy: 0.4806754145312545
Energy: 0.3969171288379701
Energy: 0.3858728350472944
Energy: 0.4799497653780319
Energy: 0.35880821020662307
Energy: 0.42356836899209804
Energy: 0.3554231612342211
Energy: 0.3556762129680889
Energy: 0.3992451361266987
Energy: 0.3673792282962887
Energy: 0.38889036056020243
Energy: 0.46583444849022243
Energy: 0.31242966535050204
Energy: 0.334689738891519
Energy: 0.40191491751502956
Energy: 0.3125836923712914
Energy: 0.3345453703271404
Energy: 0.39932477474275024
Energy: 0.3347677317761881
Energy: 0.33462737018999567
Energy: 0.35534375327226286
Energy: 0.3593182235055256
Energy: 0.37041554578245295
Energy: 0.37519290847435066
Energy: 0.35293192692340986
Energy: 0.3527753611740934
Energy: 0.37540400286507997
Energy: 0.3549696222143958
Energy: 0.3528935250028174
Energy: 0.3502081403995774
Energy: 0.35265785399704463
Energy: 0.334976077755221
Energy: 0.3361572867831764
Energy: 0.3527082810158997
Energy: 0.3125577089725496
Energy: 0.4339186213535016
Energy: 0.35315647304117986
Energy: 0.35268731668449993
Energy: 0.32455501734875947
Energy: 0.3555353203499299
Energy: 0.3509390301221274
Energy: 0.4157723637210213
Energy: 0.2983910667027983
Energy: 0.3126201661228118
Energy: 0.32396125156941985
Energy: 0.29857511291619326
Energy: 0.3126196358663725
Energy: 0.32563571566594823
Energy: 0.31248609344449263
Energy: 0.32358515380346725
Energy: 0.3263476902766481
Energy: 0.36132470909588216
Energy: 0.32374332342921697
Energy: 0.3423081389302815
Energy: 0.34477492737306037
Energy: 0.3082055943775204
Energy: 0.3423565407653127
Energy: 0.34441123108386634
Energy: 0.3061876051993881
Energy: 0.3509296555165746
Energy: 0.305653998171122
Energy: 0.30563352552315626
Energy: 0.2943460894055116
Energy: 0.30563590019207454
Energy: 0.29856072098982256
Energy: 0.3754371153673072
Energy: 0.30583732614585096
Energy: 0.3056238494463771
Energy: 0.37584996158702
Energy: 0.3059212293262867
Energy: 0.342132574455573
Energy: 0.29561936966319696
Energy: 0.34778526341106186
Energy: 0.29581321969777036
Energy: 0.3253336535338562
Energy: 0.34857807194285473
Energy: 0.2954032291265494
Energy: 0.2955685878984563
Energy: 0.3350283551045655
Energy: 0.2949296541363997
Energy: 0.29666193570135313
Energy: 0.34503434739595795
Energy: 0.2950561893871713
Energy: 0.29495621706143166
Energy: 0.36892031253403873
Energy: 0.36705693386420557
Energy: 0.29489305427756074
Energy: 0.32339538765825454
Energy: 0.3226598140685674
Energy: 0.33364991579951514
Energy: 0.2900040674568933
Energy: 0.28976074644645133
Energy: 0.3242721685609005
Energy: 0.2900708124120202
Energy: 0.2912545251934177
Energy: 0.32900979199114033
Energy: 0.2899577598913013
Energy: 0.2896813906300627
Energy: 0.32942407210841074
Energy: 0.29008409608801006
Energy: 0.32579087159684733
Energy: 0.289743844693397
Energy: 0.34957947070375534
Energy: 0.3468304239136746
Energy: 0.2897346424862728
Energy: 0.3235600004808273
Energy: 0.3681391579544656
Energy: 0.29005254078882164
Energy: 0.35614768244236306
Energy: 0.2899051338506768
Energy: 0.2911525026376955
Energy: 0.3422314301306896
Energy: 0.2901529699351807
Energy: 0.28996393031046364
Energy: 0.3499187348751176
Energy: 0.34826151195791727
Energy: 0.29006207412468515
Energy: 0.35204677655683353
Energy: 0.3476565113826043
Energy: 0.30730800235226313
Energy: 0.29521454525839524
Energy: 0.2948068956198897
Energy: 0.29702366595556
Energy: 0.29522219867741556
Energy: 0.3584093479006232
Energy: 0.35567156105437037
Energy: 0.295005273497957
Energy: 0.29483331804759777
Energy: 0.31933889216252
Energy: 0.2953542875878994
Energy: 0.2962572427968241
Energy: 0.30560728437178275
Energy: 0.37088369497235196
Energy: 0.37000970068597816
Energy: 0.30554441934493437
Energy: 0.3370238228652061
Energy: 0.2955976278480079
Energy: 0.3063484346370522
Energy: 0.3450018726283625
Energy: 0.3056937321102173
Energy: 0.307342169415227
Energy: 0.3553753654659124
Energy: 0.3058565210592891
Energy: 0.30612812046214005
Energy: 0.2950969234775657
Energy: 0.3064791290598637
Energy: 0.30663990697591875
Energy: 0.29540939301302377
Energy: 0.3065165032448235
Energy: 0.403274286924795
Energy: 0.3238817692342176
Energy: 0.3237076014877371
Energy: 0.3263604771488465
Energy: 0.32411639535404496
Energy: 0.37842216718977956
Energy: 0.3525457270176952
Energy: 0.3236461368620698
Energy: 0.3235934742852547
Energy: 0.29591291219794635
Energy: 0.3235884062055472
Energy: 0.30623625461337745
Energy: 0.3378210710026839
Energy: 0.32398087433766404
Energy: 0.32407934676265665
Energy: 0.3377770838499889
Energy: 0.32628577477262694
Energy: 0.3242430449512866
Energy: 0.35508396229324324
Energy: 0.32387210004072253
Energy: 0.3527032753385648
Energy: 0.3558523484636594
Energy: 0.3682869478454641
Energy: 0.3527850649431489
Energy: 0.4350292957823772
Energy: 0.3059921999910525
Energy: 0.32387387971779064
Energy: 0.35277066737314405
Energy: 0.3059293166209013
Energy: 0.32381767589338684
Energy: 0.46553854975943787
Energy: 0.3554880163364588
Energy: 0.35358074061353534
Energy: 0.35571830585818726
Energy: 0.35572493839673036
Energy: 0.35379747494977587
Energy: 0.35621622433811845
Energy: 0.40130064164440205
Energy: 0.35253642095912546
Energy: 0.338801092608899
Energy: 0.401194172786351
Energy: 0.3236333232145683
Energy: 0.3874028725727146
Energy: 0.3995601905382889
Energy: 0.3992720651181085
Energy: 0.38750752135951905
Energy: 0.4024566336639662
Energy: 0.39359918111767006
Energy: 0.43499883646633547
Energy: 0.3524541717048634
Energy: 0.35260389333196834
Energy: 0.35500297210355053
Energy: 0.37728611713960253
Energy: 0.401296650792171
Energy: 0.4656536860690548
Energy: 0.32397454644885026
Energy: 0.35270197030804007
Energy: 0.4018179047412968
Energy: 0.32422090423639094
Energy: 0.35265511285911805
Energy: 0.4234282023641085
Energy: 0.3988298422120326
Energy: 0.39874431449606285
Energy: 0.3991947490652952
Energy: 0.4023351870126856
Energy: 0.39320275933748094

minimum gb energy = 0.2896813906300627 eV
minimum distance =  2.63680214516337 Angstroms
sigma value = 81


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

Energy: 0.19026267494307314
Energy: 0.2793066259186597
Energy: 0.08600741056649655
Energy: 0.08746936213918899
Energy: 0.27898070128141506
Energy: 0.19007812493494622
Energy: 0.3133156625017805
Energy: 0.31463577332669473
Energy: 0.2895356154452848
Energy: 0.3160622988310581
Energy: 0.2906114534203889
Energy: 0.28493536370530737
Energy: 0.3042967276613653
Energy: 0.08615246457388835
Energy: 0.08602288747185917
Energy: 0.3135655705561989
Energy: 0.08603137660969419
Energy: 0.10965226006859531
Energy: 0.2914830499984933
Energy: 0.08625732477924368
Energy: 0.0863301691872009
Energy: 0.29788097133652813
Energy: 0.08612531776250296
Energy: 0.10764194914357779
Energy: 0.10768682988545573
Energy: 0.31346949713176087
Energy: 0.3144436235381096
Energy: 0.10805186791605174
Energy: 0.29276181526017075
Energy: 0.31410863844402304
Energy: 0.08634936959455537
Energy: 0.29295121444063027
Energy: 0.08619570644402401
Energy: 0.08747592072833131
Energy: 0.29286927710387967
Energy: 0.08627959348768104
Energy: 0.31196339782788957
Energy: 0.29258832956331754
Energy: 0.2926054564290943
Energy: 0.31709568768523755
Energy: 0.2925444032019636
Energy: 0.29291038558659943
Energy: 0.31110437507253924
Energy: 0.08614723666753675
Energy: 0.08619047424388213
Energy: 0.31651469037397906
Energy: 0.08601603682031493
Energy: 0.08636103872488257
Energy: 0.28676362795151356
Energy: 0.08609644935775485
Energy: 0.10794815646222364
Energy: 0.2952981112305994
Energy: 0.08622514854876938
Energy: 0.10837891349925925
Energy: 0.19090932834664404
Energy: 0.3333924072175144
Energy: 0.30808223165295273
Energy: 0.08651065137814479
Energy: 0.3078815840734278
Energy: 0.334245091681903

minimum gb energy = 0.08600741056649655 eV
minimum distance =  2.68333863385739 Angstroms
sigma value = 3


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

Energy: 0.38996282550512956
Energy: 0.4221800237266391
Energy: 0.40762291603382145
Energy: 0.35797858161171603
Energy: 0.421267439408638
Energy: 0.3626973081937896
Energy: 0.38982880045197854
Energy: 0.40489352792154665
Energy: 0.4049839993959616
Energy: 0.40555363940536393
Energy: 0.4073808213521795
Energy: 0.41205327293819843
Energy: 0.4114738606623554
Energy: 0.3769617097241632
Energy: 0.39953131614643134
Energy: 0.412909380177236
Energy: 0.3770396920356447
Energy: 0.4101314529145523
Energy: 0.37828838600066356
Energy: 0.3769579029096122
Energy: 0.39507490691358293
Energy: 0.37877729547493666
Energy: 0.3363785836560197
Energy: 0.40999053147339376
Energy: 0.33628033335979673
Energy: 0.4117174041474395
Energy: 0.41188229024755657
Energy: 0.3363451310752282
Energy: 0.40717011070468534
Energy: 0.4138376961710455
Energy: 0.31188731353865146
Energy: 0.41117618257703437
Energy: 0.3735387743158672
Energy: 0.3478119529114377
Energy: 0.4244862954802193
Energy: 0.3536849105622629
Energy: 0.371957259583867
Energy: 0.3370267319799452
Energy: 0.33727078892835266
Energy: 0.37892044916225964
Energy: 0.33705678110883286
Energy: 0.372492674457868
Energy: 0.38061873671087953
Energy: 0.34748333547028076
Energy: 0.35713480976475953
Energy: 0.3814064673157793
Energy: 0.33209309937894166
Energy: 0.35950536082904133
Energy: 0.40093129555033763
Energy: 0.37864269540283113
Energy: 0.3975721714586864
Energy: 0.39509184001693043
Energy: 0.3119334651864941
Energy: 0.3965132806662031
Energy: 0.3123255083055749
Energy: 0.33723415479688806
Energy: 0.33718320217062947
Energy: 0.3123773278220278
Energy: 0.33960064483797164
Energy: 0.35913128052116755
Energy: 0.2974310089091046
Energy: 0.3705184036855621
Energy: 0.33879515622511935
Energy: 0.3323055660147582
Energy: 0.3690229998448408
Energy: 0.342309577283135
Energy: 0.31218267756897194
Energy: 0.38165762914522416
Energy: 0.3809155032384927
Energy: 0.3121441086262745
Energy: 0.3309361275861602
Energy: 0.3122633673168629
Energy: 0.3176185713895368
Energy: 0.3249085791623235
Energy: 0.3132729464490313
Energy: 0.3132525590734431
Energy: 0.3250696446405004
Energy: 0.3138603440617682
Energy: 0.376497139822866
Energy: 0.29748961017602354
Energy: 0.29737295788010665
Energy: 0.3471063554974762
Energy: 0.2971801148120473
Energy: 0.35691036443183405
Energy: 0.2905332683896541
Energy: 0.2971448121238843
Energy: 0.2970955491012264
Energy: 0.29015749026924764
Energy: 0.2990477156677213
Energy: 0.29713744797804054
Energy: 0.2903529072977221
Energy: 0.3320960547541776
Energy: 0.3655301965388047
Energy: 0.32569635387008683
Energy: 0.3311442877225203
Energy: 0.36818218016409343
Energy: 0.29255783034451543
Energy: 0.3471449970806718
Energy: 0.2903974401097545
Energy: 0.2901088210582763
Energy: 0.33228530909331827
Energy: 0.2900454116333108
Energy: 0.2899268554520942
Energy: 0.3248752151929897
Energy: 0.29048013473405077
Energy: 0.2900673888099218
Energy: 0.325236905593586
Energy: 0.29064705675465474
Energy: 0.3656205990230693
Energy: 0.2907239861211952
Energy: 0.29046274334733996
Energy: 0.32644204888951406
Energy: 0.29032920301825
Energy: 0.3242064571222408
Energy: 0.36525917694017407
Energy: 0.2899732637676029
Energy: 0.29005830442525354
Energy: 0.366409567412537
Energy: 0.2921559442152439
Energy: 0.28992019712973155
Energy: 0.29858817123687975
Energy: 0.32522705917364236
Energy: 0.36788756092661906
Energy: 0.3318019961705449
Energy: 0.3250356035442392
Energy: 0.36469487565662206
Energy: 0.29917201653946823
Energy: 0.32814073076743727
Energy: 0.29764014243635134
Energy: 0.2998046652500784
Energy: 0.32521125840390525
Energy: 0.2975671829766776
Energy: 0.29698829865839393
Energy: 0.36710895268284716
Energy: 0.36594169761648093
Energy: 0.29710661159892865
Energy: 0.3463610602938388
Energy: 0.2976022301841289
Energy: 0.2931983794985024
Energy: 0.31419392032571236
Energy: 0.3141696948320364
Energy: 0.32684817698113255
Energy: 0.31404947706070574
Energy: 0.313610976289295
Energy: 0.29751228368272514
Energy: 0.3121996530693761
Energy: 0.3121022615670576
Energy: 0.29784172042601986
Energy: 0.3122128314009198
Energy: 0.31217118156097773
Energy: 0.3894633689555039
Energy: 0.3374311823708721
Energy: 0.3373336609041141
Energy: 0.3693841397642351
Energy: 0.32658314064500105
Energy: 0.3696873340742196
Energy: 0.33962318202796965
Energy: 0.3375720656263071
Energy: 0.33989747838632905
Energy: 0.34026052128637446
Energy: 0.3026064818936568
Energy: 0.3379788836922412
Energy: 0.321473582727177
Energy: 0.40075683472072066
Energy: 0.40015623097050956
Energy: 0.32154320445206536
Energy: 0.3997461864043517
Energy: 0.39804329513933734
Energy: 0.3017282615955844
Energy: 0.3782987746610665
Energy: 0.35585889542985266
Energy: 0.3387695169595131
Energy: 0.3782623419637592
Energy: 0.32446412986470735
Energy: 0.33722407744881633
Energy: 0.3790628600309967
Energy: 0.37909586121621425
Energy: 0.3372005432079862
Energy: 0.3801111166769765
Energy: 0.37310023813635784
Energy: 0.42739680768565
Energy: 0.3573062103019624
Energy: 0.35725196145339516
Energy: 0.41197352404749565
Energy: 0.33754785671896903
Energy: 0.37508376599442406
Energy: 0.4092339593324333
Energy: 0.38727370744003425
Energy: 0.4032661895165996
Energy: 0.4072026484666902
Energy: 0.321516908405617
Energy: 0.41175022562597247
Energy: 0.35103787516101526
Energy: 0.37198781166927214
Energy: 0.37202969255589396
Energy: 0.35107750763477535
Energy: 0.37343051810921074
Energy: 0.3849506427493682

minimum gb energy = 0.28992019712973155 eV
minimum distance =  2.63289651929237 Angstroms
sigma value = 67


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

Energy: 0.39943203943333255
Energy: 0.5332332555148013
Energy: 0.4463367712127714
Energy: 0.39556683006191784
Energy: 0.5333747007721705
Energy: 0.4467512158109984
Energy: 0.5120264353689554
Energy: 0.45680643032766904
Energy: 0.45346514671506
Energy: 0.4577056791629131
Energy: 0.45535698354697146
Energy: 0.46449346309256434
Energy: 0.47497811831090553
Energy: 0.42443661176292746
Energy: 0.4647108066426917
Energy: 0.4601437704815301
Energy: 0.4173587838137514
Energy: 0.46411509210900853
Energy: 0.45820311243348005
Energy: 0.4688228049117398
Energy: 0.4631665988344135
Energy: 0.4584193969064093
Energy: 0.36288259134430095
Energy: 0.46423866384187396
Energy: 0.40760005314563846
Energy: 0.4569482463222426
Energy: 0.46489563784169
Energy: 0.4073569603692421
Energy: 0.4550373422916586
Energy: 0.4657378990713537
Energy: 0.3907732721241031
Energy: 0.46707003218314297
Energy: 0.4382829769278835
Energy: 0.4135179426534132
Energy: 0.4658951531152116
Energy: 0.3894394543252898
Energy: 0.407439418786805
Energy: 0.42036220629731197
Energy: 0.4219268227803401
Energy: 0.4074540408535182
Energy: 0.4179786899481842
Energy: 0.4032291386089952
Energy: 0.41050684224291556
Energy: 0.39446098313065975
Energy: 0.35740143193654833
Energy: 0.4114891106622071
Energy: 0.3905089744909582
Energy: 0.4213974306888395
Energy: 0.4452064857420619
Energy: 0.36360869272886504
Energy: 0.4490756446981347
Energy: 0.4455577718702498
Energy: 0.36219905526810714
Energy: 0.44931521437204136
Energy: 0.34019661910146654
Energy: 0.3648617488941435
Energy: 0.36181282737622045
Energy: 0.34026344406877224
Energy: 0.3641530313983063
Energy: 0.3615709928627732
Energy: 0.34079831647141234
Energy: 0.42938079464479645
Energy: 0.42680216495648676
Energy: 0.3895934487268008
Energy: 0.36336901816175815
Energy: 0.34032354908026813
Energy: 0.34404480674343335
Energy: 0.3600733142520849
Energy: 0.3406868396253483
Energy: 0.344710515560358
Energy: 0.41085394397255054
Energy: 0.34067275034317707
Energy: 0.3438580985332127
Energy: 0.3941323777234871
Energy: 0.340916657430306
Energy: 0.3445001944384918
Energy: 0.3888254975772815
Energy: 0.34080635637831724
Energy: 0.44060010659931215
Energy: 0.34071969896996046
Energy: 0.3879376729653241
Energy: 0.38801041737161884
Energy: 0.3408704490527711
Energy: 0.3809440107901753
Energy: 0.38764370389742325
Energy: 0.3435307483298205
Energy: 0.34061176836314516
Energy: 0.38715423216427336
Energy: 0.3430002130981318
Energy: 0.3403497685981796
Energy: 0.43580050561004224
Energy: 0.3947284067119692
Energy: 0.42824363818953454
Energy: 0.38634757507286266
Energy: 0.3403728294444911
Energy: 0.42551199173986237
Energy: 0.3641464199848504
Energy: 0.38887281124948925
Energy: 0.3519305749638808
Energy: 0.3648632627487085
Energy: 0.3848433805757792
Energy: 0.36248405900964564
Energy: 0.362513576186693
Energy: 0.44143394233887273
Energy: 0.36172540053227425
Energy: 0.36237101788143616
Energy: 0.4391767127731958
Energy: 0.36205824763257366
Energy: 0.42974679805067456
Energy: 0.43322186744159585
Energy: 0.38593791429181634
Energy: 0.3948550343815284
Energy: 0.41035213258572373
Energy: 0.3742273668101918
Energy: 0.36201570654705334
Energy: 0.4106537220844236
Energy: 0.4204727900056786
Energy: 0.36190499656774733
Energy: 0.4097615210485484
Energy: 0.42183763421589854
Energy: 0.4757929895074466
Energy: 0.4320517372693387
Energy: 0.4788672992008407
Energy: 0.469502607795371
Energy: 0.4029981448713576
Energy: 0.46562230733862986
Energy: 0.4750231183714826
Energy: 0.3945525285352152
Energy: 0.43121115842881635
Energy: 0.45960271864533625
Energy: 0.3986896268333323
Energy: 0.46682538138832297
Energy: 0.43536388616435723
Energy: 0.4101187195795908
Energy: 0.4076023481159716
Energy: 0.4356743828254098
Energy: 0.40982168607933145
Energy: 0.4212713956176085

minimum gb energy = 0.34019661910146654 eV
minimum distance =  2.62523798616485 Angstroms
sigma value = 33


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

Energy: 0.5013905515800365
Energy: 0.49554072829167733
Energy: 0.5236601688324316
Energy: 0.3857149416715266
Energy: 0.48319464286769137
Energy: 0.47890087234425144
Energy: 0.5447312184875036
Energy: 0.4955579772309272
Energy: 0.4818167721514518
Energy: 0.46194595618995404
Energy: 0.4833786515149695
Energy: 0.45588907005506357
Energy: 0.5149589789749958
Energy: 0.48589928258169485
Energy: 0.48334790177469605
Energy: 0.46515590878131985
Energy: 0.5076152701385205
Energy: 0.5052528396814635
Energy: 0.4880953025315619
Energy: 0.499492931159261
Energy: 0.4813582782933583
Energy: 0.47325040505187815
Energy: 0.46844665417554815
Energy: 0.49910431921884363
Energy: 0.4444850231567628
Energy: 0.45681403756507816
Energy: 0.49464398368547696
Energy: 0.44597424603771496
Energy: 0.4966195978298843
Energy: 0.4660862316839422
Energy: 0.4449426726818151
Energy: 0.5211381104080998
Energy: 0.5055066996996568
Energy: 0.43376783797841295
Energy: 0.5075365714308172
Energy: 0.42694479172253724
Energy: 0.4451238956487104
Energy: 0.49886883169022855
Energy: 0.44539268086737044
Energy: 0.4446529904051758
Energy: 0.48639194169901584
Energy: 0.42393990248862023
Energy: 0.4448419543273939
Energy: 0.4307416326731621
Energy: 0.43296512563744655
Energy: 0.4471113359150366
Energy: 0.46388776619447253
Energy: 0.444703107998289
Energy: 0.48522669115970407
Energy: 0.41819701963268296
Energy: 0.4259710681127641
Energy: 0.4682135933568904
Energy: 0.3996058995205389
Energy: 0.476281295834495
Energy: 0.4778260899716771
Energy: 0.3996524509375563
Energy: 0.3994977754333966
Energy: 0.49138523632421877
Energy: 0.40133837674359546
Energy: 0.39927803593805905
Energy: 0.43594229714966837
Energy: 0.4001572744565886
Energy: 0.44744139185978576
Energy: 0.4571561128438116
Energy: 0.39951300049194033
Energy: 0.4247991118859514
Energy: 0.40085612548869515
Energy: 0.4101187174926439
Energy: 0.4009312118332392
Energy: 0.400621599966941
Energy: 0.4080230137202102
Energy: 0.4005481769505276
Energy: 0.4010991486294444
Energy: 0.402227160131472
Energy: 0.4011755469139706
Energy: 0.4004999686749767
Energy: 0.4489944359439664
Energy: 0.4013933505127427
Energy: 0.4062791954802748
Energy: 0.4641114970713726
Energy: 0.48798586483713424
Energy: 0.3902759971600907
Energy: 0.4636723227374264
Energy: 0.4125718119489332
Energy: 0.43405096061799164
Energy: 0.4501023809967873
Energy: 0.4474090114927441
Energy: 0.4343727072791165
Energy: 0.44813302130691224
Energy: 0.4507392685709787
Energy: 0.463520344980809
Energy: 0.45727516370309207
Energy: 0.4549173464035305
Energy: 0.49150485014902207
Energy: 0.3996856038642404
Energy: 0.5005150336332305
Energy: 0.5103326234190076
Energy: 0.4136471319202202
Energy: 0.4114986178194117
Energy: 0.511626399468921
Energy: 0.46769935409021673
Energy: 0.4979659711544045
Energy: 0.5095397096750436
Energy: 0.502717470293089
Energy: 0.5023806282304639
Energy: 0.5088192298801577
Energy: 0.5027186847866232
Energy: 0.5095604806793299
Energy: 0.3812392434688124
Energy: 0.48234656092744255
Energy: 0.4899295306473459
Energy: 0.44920153699202875
Energy: 0.5034298881671249
Energy: 0.4610694769170616
Energy: 0.44741499409967816
Energy: 0.5051381380366907
Energy: 0.5018904490243942
Energy: 0.4474584690335418
Energy: 0.5033570074009048
Energy: 0.5219340192270895
Energy: 0.5106862555840626
Energy: 0.49972420529279843
Energy: 0.48163606979456325
Energy: 0.5109317428374901
Energy: 0.47336760237626374
Energy: 0.5044365522637498
Energy: 0.45255066741413147
Energy: 0.4844625571777365
Energy: 0.48280920394398474
Energy: 0.477505732688893
Energy: 0.5001279609530374
Energy: 0.49853539760718657
Energy: 0.44682535724989175
Energy: 0.5028163156893949
Energy: 0.502385529417233
Energy: 0.44664116915005736
Energy: 0.5027798260726274
Energy: 0.49811207029821036
Energy: 0.4165338809794825
Energy: 0.5202516716977111
Energy: 0.5190652076980292
Energy: 0.40215856164386093
Energy: 0.5201774322238778
Energy: 0.4360085874148321
Energy: 0.4463888192601886
Energy: 0.4819086856129106
Energy: 0.4844178027848955
Energy: 0.44563987713544373
Energy: 0.5095898026730672
Energy: 0.44518119979009296
Energy: 0.4450126453878605
Energy: 0.426725976524337
Energy: 0.42693968663133913
Energy: 0.4462302613604049
Energy: 0.46065240119231315
Energy: 0.4256256798126184
Energy: 0.4781623400263686
Energy: 0.456077340125769
Energy: 0.4148950495857013
Energy: 0.4744874134034662
Energy: 0.43942624390561313
Energy: 0.48065864803780745
Energy: 0.47577307778401595
Energy: 0.39962232774245404
Energy: 0.3994132519217639
Energy: 0.4740907306115874
Energy: 0.401334833627577
Energy: 0.3992099484351945
Energy: 0.42405211544567334
Energy: 0.3996919475773672
Energy: 0.4001138045313289
Energy: 0.41397090160274963
Energy: 0.3996863503355078
Energy: 0.4358062518429871
Energy: 0.39950438721331943
Energy: 0.4224611927267332
Energy: 0.40104720262544696
Energy: 0.40070995479739824
Energy: 0.4051519455977321
Energy: 0.39973291284054757
Energy: 0.40358315985084353
Energy: 0.4003166196094342
Energy: 0.4009584925938162
Energy: 0.4011559890657756
Energy: 0.43408724468671744
Energy: 0.3998747246318969
Energy: 0.43437596270075085
Energy: 0.491033909704783
Energy: 0.4960971942563678
Energy: 0.4371323686194086
Energy: 0.4722580538519103
Energy: 0.38962732562317576
Energy: 0.374657790794479
Energy: 0.4431633027822456
Energy: 0.44035762511528864
Energy: 0.4412683778473015
Energy: 0.44401267136254047
Energy: 0.44777578503640864
Energy: 0.4845845449051624
Energy: 0.400045683863251
Energy: 0.4337478775055773
Energy: 0.4891321344021188
Energy: 0.4010382572107593
Energy: 0.42434319921935904
Energy: 0.5136820600571661
Energy: 0.41191525055537465
Energy: 0.41178862803040556
Energy: 0.4717214543877542
Energy: 0.39159074084594203
Energy: 0.48192346394102664
Energy: 0.5449017957910589
Energy: 0.49938818380699673
Energy: 0.43550330351494915
Energy: 0.4619129163471761
Energy: 0.4843568352388295
Energy: 0.4540231867138591
Energy: 0.39969134225684877
Energy: 0.4823410380852732
Energy: 0.48991436537162375
Energy: 0.4490455274325419
Energy: 0.4819221541401068
Energy: 0.44423522207204746

minimum gb energy = 0.374657790794479 eV
minimum distance =  2.64975912366448 Angstroms
sigma value = 41


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

Energy: 0.6165986894429777
Energy: 0.664345372203367
Energy: 0.5444777662059674
Energy: 0.4108749853672962
Energy: 0.6601936963082068
Energy: 0.5472813117371865
Energy: 0.513151668037144
Energy: 0.48677767332525185
Energy: 0.4900612584096965
Energy: 0.4882151008095798
Energy: 0.4882288496784618
Energy: 0.4234593072589853
Energy: 0.5310656302835338
Energy: 0.42569160714263543
Energy: 0.4721062837076205
Energy: 0.48723851105101856
Energy: 0.48227116578025164
Energy: 0.48585149534690053
Energy: 0.48586762934623634
Energy: 0.41422588138564315
Energy: 0.5066960319184093
Energy: 0.4864293809424796
Energy: 0.4260565880500363
Energy: 0.4275088484625837
Energy: 0.4271271190726243
Energy: 0.4897400059072848
Energy: 0.4891660502424641
Energy: 0.42778937765071345
Energy: 0.4875071692441614
Energy: 0.47106163531273554
Energy: 0.5148502732021385
Energy: 0.49373075525032856
Energy: 0.5117326782805457
Energy: 0.4132144560825022
Energy: 0.49480217377600844
Energy: 0.42615536158379486
Energy: 0.42855718312985236
Energy: 0.4736002603202118
Energy: 0.4161040411204263
Energy: 0.4283937392650251
Energy: 0.4727335455628812
Energy: 0.4170362145373321
Energy: 0.42595674080817536
Energy: 0.4151387296061041
Energy: 0.414872318177767
Energy: 0.42666548205143345
Energy: 0.41687973531819283
Energy: 0.42609335880524973
Energy: 0.4984755352170605
Energy: 0.4217677919892137
Energy: 0.4232917116951313
Energy: 0.4022422470832918
Energy: 0.4613018067054899
Energy: 0.4540482036939633
Energy: 0.45667854209985836
Energy: 0.43060611845982993
Energy: 0.4456385607753164
Energy: 0.41667030097282876
Energy: 0.42834393933261766
Energy: 0.41340166462816424
Energy: 0.5066424399759567
Energy: 0.4272689904996121
Energy: 0.41601914128477274
Energy: 0.4717074947349328
Energy: 0.40164373677681886
Energy: 0.5113772148729488
Energy: 0.526277582145484
Energy: 0.40130552233632677
Energy: 0.4378216871188542
Energy: 0.5267872805678777
Energy: 0.4013664835761608
Energy: 0.47753798495903815
Energy: 0.5544671556575171
Energy: 0.5107679077152216
Energy: 0.4211976033375785
Energy: 0.48903121179813175
Energy: 0.4899395454433344
Energy: 0.4210002284232773
Energy: 0.527920604180388
Energy: 0.4864967506099542
Energy: 0.5123779804060848
Energy: 0.4048319535324156
Energy: 0.48613640190218566
Energy: 0.44828621126248097

minimum gb energy = 0.40130552233632677 eV
minimum distance =  2.693292556151 Angstroms
sigma value = 11


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

Energy: 0.7416022498114345
Energy: 0.6120099415763037
Energy: 0.540481284430365
Energy: 0.49131163908543396
Energy: 0.6131649222713557
Energy: 0.5299730475784967
Energy: 0.6160493119358449
Energy: 0.4888445490490971
Energy: 0.48671257872052265
Energy: 0.512303299053258
Energy: 0.4788079392822495
Energy: 0.4935368525088314
Energy: 0.6165010203527027
Energy: 0.47902098135219545
Energy: 0.4789888950822888
Energy: 0.5976076062523453
Energy: 0.4784894268086995
Energy: 0.47990632049168824
Energy: 0.5258049254726551
Energy: 0.47914197421277
Energy: 0.4807801786796171
Energy: 0.4864469230080071
Energy: 0.5117717567541976
Energy: 0.48705729779306917
Energy: 0.5110620957281851
Energy: 0.47866467840337396
Energy: 0.49537061249227965
Energy: 0.50396392538643
Energy: 0.48015374196269583
Energy: 0.49032441359805123
Energy: 0.5651865957947962
Energy: 0.47538165190043463
Energy: 0.47581016052517056
Energy: 0.4910881334154585
Energy: 0.4751151287773242
Energy: 0.47698982831232273
Energy: 0.4757328260535277
Energy: 0.4769014799133025
Energy: 0.476529156065917
Energy: 0.4757999108455651
Energy: 0.4779378915427095
Energy: 0.475821914395602
Energy: 0.4760037654238658
Energy: 0.49376522616882673
Energy: 0.4909788519795958
Energy: 0.47883821560048306
Energy: 0.5156128596993583
Energy: 0.49003824239345334
Energy: 0.4807257325038096
Energy: 0.504593964134281
Energy: 0.5196913074529749
Energy: 0.48990218131478563
Energy: 0.4897326603310557
Energy: 0.46470162979301566
Energy: 0.4809196242205252
Energy: 0.4886162642546572
Energy: 0.5213563373035317
Energy: 0.48956616860708874
Energy: 0.5082346808418217
Energy: 0.46484415802158163
Energy: 0.4755411144125581
Energy: 0.49969311793260374
Energy: 0.49448717091979927
Energy: 0.47931009897019006
Energy: 0.49374831954901127
Energy: 0.49001297748260136
Energy: 0.5232066306984411
Energy: 0.47685222395421967
Energy: 0.532270528259827
Energy: 0.5142745773568688
Energy: 0.4920220073046918
Energy: 0.511295984432325
Energy: 0.4751093851866621
Energy: 0.5047617366484689
Energy: 0.5044764770580766
Energy: 0.47922186758476176
Energy: 0.5044526245627984
Energy: 0.49230299211674633
Energy: 0.4909177491698347
Energy: 0.5351493587318922
Energy: 0.5084506266360703
Energy: 0.4934187978058744
Energy: 0.5670360702074926
Energy: 0.47990059505525745
Energy: 0.4645984046852486
Energy: 0.483796145187935
Energy: 0.4769557381215059
Energy: 0.4761090370226332
Energy: 0.49753856569946364
Energy: 0.5007107306227713
Energy: 0.46504094117489764
Energy: 0.48136329732048105
Energy: 0.47916078051572764
Energy: 0.4661944089025439
Energy: 0.48387606569169817
Energy: 0.4750541091069771
Energy: 0.46379444916492735
Energy: 0.4813886793213278
Energy: 0.4814788907345839
Energy: 0.46805000318231316
Energy: 0.4989573246857804
Energy: 0.4808492698370421
Energy: 0.5943215164472457
Energy: 0.5115847919780644
Energy: 0.501836626000077
Energy: 0.49170545009173644
Energy: 0.5137122553673619
Energy: 0.4883684342003712
Energy: 0.4917265972989299
Energy: 0.4827530685593601
Energy: 0.48326579199961195
Energy: 0.49499408447493537
Energy: 0.49184057700032313
Energy: 0.5023586505746853
Energy: 0.5650830729572042
Energy: 0.46293600188648254
Energy: 0.46411503232575885
Energy: 0.5151588146081323
Energy: 0.49126194425013847
Energy: 0.4819837178011384
Energy: 0.5119717813625717
Energy: 0.46400190225993565
Energy: 0.49207006035192086
Energy: 0.4900829083275334
Energy: 0.5032049637499565
Energy: 0.4914985836987694
Energy: 0.48526314241913093
Energy: 0.49047804694787334
Energy: 0.4985921145663194
Energy: 0.4827330194649935
Energy: 0.4900863929647289
Energy: 0.4973114426747503
Energy: 0.4744669723805818
Energy: 0.4916613139870984
Energy: 0.48572343970147536
Energy: 0.4908821463282694
Energy: 0.5157881918894982
Energy: 0.4782813969558854
Energy: 0.5449006015733804
Energy: 0.4967731707592713
Energy: 0.5000086472285813
Energy: 0.4960260783123322
Energy: 0.4983051284725456
Energy: 0.5018820565455763
Energy: 0.5115102929690357
Energy: 0.4955841533265711
Energy: 0.49099771623234445
Energy: 0.5124645190976655
Energy: 0.4845681090401146
Energy: 0.49118424494983337
Energy: 0.5323564462896265
Energy: 0.46887636351221124
Energy: 0.5019986663578099
Energy: 0.5001536879853573
Energy: 0.46815252879378916
Energy: 0.481231341828943
Energy: 0.5292442909029712
Energy: 0.46376363923246805
Energy: 0.4640587077260815
Energy: 0.48323954900262456
Energy: 0.4666533152178988
Energy: 0.47629201940467075
Energy: 0.5252444655861864
Energy: 0.47619276075609307
Energy: 0.5168105776400724
Energy: 0.5112701626460439
Energy: 0.4760099813874592
Energy: 0.47693089273876954
Energy: 0.5685871314647624
Energy: 0.49109558562477146
Energy: 0.49977832554629903
Energy: 0.5694797825990132
Energy: 0.49097445209322144
Energy: 0.5037827237834853
Energy: 0.6164151450835325
Energy: 0.486793597195706
Energy: 0.48740641772326165
Energy: 0.5107086389636594
Energy: 0.48428812067876875
Energy: 0.4933110214847038
Energy: 0.46346016498827425
Energy: 0.5317431297641018
Energy: 0.5028100875275968
Energy: 0.4919455566413154
Energy: 0.5108560148519142
Energy: 0.5244533630866888

minimum gb energy = 0.46293600188648254 eV
minimum distance =  2.63628276064419 Angstroms
sigma value = 57


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

Energy: 0.6466422296416571
Energy: 0.7078959200621446
Energy: 0.558354808725681
Energy: 0.5578590239100828
Energy: 0.7020380881398645
Energy: 0.5607896932651909
Energy: 0.5587256400742344
Energy: 0.4858259067113747
Energy: 0.47680945271480796
Energy: 0.4832224525278325
Energy: 0.48495442600778993
Energy: 0.47990322785054257
Energy: 0.5063071378211415
Energy: 0.47776693167721634
Energy: 0.47540342972907795
Energy: 0.5072183129695153
Energy: 0.4726479525221186
Energy: 0.4770098825726841
Energy: 0.4769404393792825
Energy: 0.4813104480338171
Energy: 0.47561554898485975
Energy: 0.48193901417277685
Energy: 0.48239704923951604
Energy: 0.4755226769447715
Energy: 0.4819500004288251
Energy: 0.4846187345082513
Energy: 0.4769144559350955
Energy: 0.48363689525538917
Energy: 0.48407776525206503
Energy: 0.4750482035758072
Energy: 0.4991515340739596
Energy: 0.5065481014958281
Energy: 0.514556226494913
Energy: 0.4842629661588171
Energy: 0.5052760063989584
Energy: 0.5328033372082989
Energy: 0.5086872077384443
Energy: 0.49931535891479256
Energy: 0.49078239825826575
Energy: 0.5064440673335092
Energy: 0.4943921485600398
Energy: 0.5140139276597443
Energy: 0.5059791626157202
Energy: 0.4826427655330838
Energy: 0.4805706112865675
Energy: 0.48441206660676084
Energy: 0.4834395383262205
Energy: 0.4747775480839279
Energy: 0.4592671806913358
Energy: 0.47656873862300747
Energy: 0.46122015807417654
Energy: 0.4590468190125008
Energy: 0.5130110446357514
Energy: 0.4602627554882978
Energy: 0.4592320720529661
Energy: 0.47527241903098344
Energy: 0.4604481049835434
Energy: 0.4590326790561507
Energy: 0.5061794302922508
Energy: 0.4599101530449702
Energy: 0.5058436639705978
Energy: 0.4828918015956144
Energy: 0.4812098919426347
Energy: 0.4843616957429025
Energy: 0.4799629830867911
Energy: 0.47447250596761886
Energy: 0.5058809406556136
Energy: 0.5301022526466582
Energy: 0.5305915906012636
Energy: 0.5065667609712019
Energy: 0.530877090594333
Energy: 0.516243068485273
Energy: 0.4828165803168688
Energy: 0.48489822666921917
Energy: 0.4782467246436987
Energy: 0.48512080964851945
Energy: 0.4863742456118958
Energy: 0.480622811981861
Energy: 0.4996479971497756
Energy: 0.513605242624626
Energy: 0.5166425537556371
Energy: 0.4856059013044986
Energy: 0.5068967611210738
Energy: 0.52069916426164
Energy: 0.5059545589526383
Energy: 0.49937556843495323
Energy: 0.47663710348002064
Energy: 0.49639089890902394
Energy: 0.49929774889128836
Energy: 0.47433025898500897
Energy: 0.5062681479032767
Energy: 0.4993608437932051
Energy: 0.46009770682984014
Energy: 0.507676579056383
Energy: 0.4990860206774638
Energy: 0.47652286239037017
Energy: 0.45899932852841835
Energy: 0.48002765947290843
Energy: 0.47870553488160356
Energy: 0.4593328303152935
Energy: 0.48514668903932523
Energy: 0.4825692275729739

minimum gb energy = 0.45899932852841835 eV
minimum distance =  2.64532677864714 Angstroms
sigma value = 9


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

Energy: 0.8156438806195204
Energy: 0.7373754064833086
Energy: 0.5797906846957229
Energy: 0.5360886409553383
Energy: 0.7366942969855065
Energy: 0.5315486735822836
Energy: 0.6090236807917514
Energy: 0.5226563546534496
Energy: 0.5206763340171566
Energy: 0.5160212102395725
Energy: 0.5211023980167244
Energy: 0.5187651505330896
Energy: 0.5672463482262894
Energy: 0.5238119329330571
Energy: 0.5458477283432661
Energy: 0.5690981843585099
Energy: 0.5231905035617602
Energy: 0.5541460379719347
Energy: 0.5373530751935522
Energy: 0.5289644284104379
Energy: 0.5285734954472603
Energy: 0.5397843440829996
Energy: 0.5304536048680385
Energy: 0.5287497074170802
Energy: 0.508812557853181
Energy: 0.5163956612196285
Energy: 0.5194955461428394
Energy: 0.5117697532974461
Energy: 0.5204816770860416
Energy: 0.5141474958158992
Energy: 0.5242492089345118
Energy: 0.5173714366783815
Energy: 0.5190545669866483
Energy: 0.5178065254679423
Energy: 0.5244847340760456
Energy: 0.5189445419104844
Energy: 0.5775462102497404
Energy: 0.5550902544964651
Energy: 0.5262312721434341
Energy: 0.5778740876095672
Energy: 0.5274749400702233
Energy: 0.5521616390460583
Energy: 0.5328412735640109
Energy: 0.5297585686101717
Energy: 0.5210655635442261
Energy: 0.5283032603847948
Energy: 0.526541942507807
Energy: 0.5214976863248731
Energy: 0.5877446852619288
Energy: 0.5328108497982715
Energy: 0.5419120600294745
Energy: 0.5146971199300879
Energy: 0.5531125207917663
Energy: 0.5289698394317129
Energy: 0.5881822856646559
Energy: 0.5215084093190773
Energy: 0.5201796188408566
Energy: 0.5151751086260502
Energy: 0.5275267751368163
Energy: 0.5155238833356961
Energy: 0.5329292218182929
Energy: 0.5211069915453981
Energy: 0.5194518685980357
Energy: 0.5217125200799091
Energy: 0.5134983104654526
Energy: 0.5207749311736446
Energy: 0.532704730681267
Energy: 0.5137973470410048
Energy: 0.5171785658769465
Energy: 0.5334906380578508
Energy: 0.511208763342802
Energy: 0.5130058126247733
Energy: 0.5916546989820475
Energy: 0.545415761265493
Energy: 0.5306243376393213
Energy: 0.5287011167910539
Energy: 0.5461749796403058
Energy: 0.5176374714461945
Energy: 0.5971993685363136
Energy: 0.5281158003365526
Energy: 0.5285208918586051
Energy: 0.5198444981491934
Energy: 0.5215006479579096
Energy: 0.5277751940552339
Energy: 0.5397153871088286
Energy: 0.5116208475323508
Energy: 0.5145783141375563
Energy: 0.5398656292670789
Energy: 0.5113356560954396
Energy: 0.5181650732896861
Energy: 0.5379839205696323
Energy: 0.534690737097014
Energy: 0.539857350609983
Energy: 0.5398126643151282
Energy: 0.5627202919493436
Energy: 0.5349194657061787
Energy: 0.5315045503180791
Energy: 0.529011997316639
Energy: 0.5286958818188613
Energy: 0.5324611622886506
Energy: 0.530591467857861
Energy: 0.5291539686860244
Energy: 0.5505734851939565
Energy: 0.5383614744513456
Energy: 0.5449293099728767
Energy: 0.521992273008343
Energy: 0.546240407192646
Energy: 0.5408502813278392
Energy: 0.5571615171510657
Energy: 0.5175715645388577
Energy: 0.5194905368774904
Energy: 0.5599483517004014
Energy: 0.5167709757238633
Energy: 0.5197818582910413
Energy: 0.5586957453560542
Energy: 0.5180299312143235
Energy: 0.5197587607162741
Energy: 0.5405304964642146
Energy: 0.5170337541606461
Energy: 0.5213732972493794
Energy: 0.5723236793954254
Energy: 0.5167572331873667
Energy: 0.5212676472693856
Energy: 0.5256510972574384
Energy: 0.5213134031180808
Energy: 0.518110138480092

minimum gb energy = 0.508812557853181 eV
minimum distance =  2.59901921012308 Angstroms
sigma value = 27


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

Energy: 0.5481558589247083
Energy: 0.7482756046739439
Energy: 0.49471012009488663
Energy: 0.5173024037060887
Energy: 0.7511722983345136
Energy: 0.5021338669251155
Energy: 0.5623290687810186
Energy: 0.4919921630271358
Energy: 0.49067362950733023
Energy: 0.5554638417480549
Energy: 0.5874610275287981
Energy: 0.516250970074776
Energy: 0.5533068405746059
Energy: 0.532001893161797
Energy: 0.5029921140587591
Energy: 0.5159368735701437
Energy: 0.4696990454348912
Energy: 0.5030928262500538
Energy: 0.5127418659468773
Energy: 0.49229153213078447
Energy: 0.4917633036398524
Energy: 0.4885782990417522
Energy: 0.49703358322315083
Energy: 0.4920240598004923
Energy: 0.4878075953427117
Energy: 0.5103252184128992
Energy: 0.4825885619104093
Energy: 0.4906660801849351
Energy: 0.5110714961416776
Energy: 0.4845123211900231
Energy: 0.5132623017142308
Energy: 0.5148445377943447
Energy: 0.5013246123911093
Energy: 0.5013648549452409
Energy: 0.5144333165109676
Energy: 0.5021637342156834
Energy: 0.539739212291206
Energy: 0.44841702689556845
Energy: 0.44290494617192694
Energy: 0.5266491993261438
Energy: 0.4477906762813908
Energy: 0.44301719207229684
Energy: 0.5351334889706826
Energy: 0.44501547300496863
Energy: 0.48565008200284293
Energy: 0.5130208403417996
Energy: 0.4461664196401195
Energy: 0.48594155694023033
Energy: 0.593668686878704
Energy: 0.5025586530827539
Energy: 0.5043078210037776
Energy: 0.4788494810023426
Energy: 0.5027253072496555
Energy: 0.49337296082655313
Energy: 0.5924730544985131
Energy: 0.5029289875201022
Energy: 0.5027959675932568
Energy: 0.48274012038663877
Energy: 0.5047880023552813
Energy: 0.4969359684128288
Energy: 0.5394431351663859
Energy: 0.4795873616245435
Energy: 0.48338250057903226
Energy: 0.5174816610236995
Energy: 0.486366597325163
Energy: 0.5036205996670337
Energy: 0.5506034225086474
Energy: 0.48981191471341085
Energy: 0.49095373525428526
Energy: 0.5432080606267761
Energy: 0.4897869013460231
Energy: 0.49055275874545773
Energy: 0.44490745460346054
Energy: 0.49033663867745975
Energy: 0.44342146811237226
Energy: 0.4426575938024471
Energy: 0.4891941806307064
Energy: 0.4430955770617489
Energy: 0.44225746057386484
Energy: 0.49047653254688495
Energy: 0.4902795485344796
Energy: 0.4427562504656924
Energy: 0.48946289087281236
Energy: 0.4446016315306887
Energy: 0.5090824358847914
Energy: 0.49319253232163734
Energy: 0.49066897872127135
Energy: 0.508342559909705
Energy: 0.4909950880869709
Energy: 0.4899110682923097
Energy: 0.543118628709394
Energy: 0.5066726243906435
Energy: 0.5073229957313788
Energy: 0.5215547298462057
Energy: 0.492569687212527
Energy: 0.506172345882939
Energy: 0.4781309622766071
Energy: 0.4895796170170058
Energy: 0.5441006711273767
Energy: 0.47890461923050265
Energy: 0.5161958429517166
Energy: 0.5356631924891752
Energy: 0.5017066746608436
Energy: 0.47877421951055926
Energy: 0.4791845900217525
Energy: 0.4797699331303179
Energy: 0.48335050772835697
Energy: 0.48232283391525094
Energy: 0.5364077450095853
Energy: 0.4430705738669565
Energy: 0.44331131412345204
Energy: 0.5390050063554968
Energy: 0.4430292687191678
Energy: 0.44395299540735955
Energy: 0.5425514842529072
Energy: 0.44310427922845846
Energy: 0.4439216693170605
Energy: 0.48254687132943747
Energy: 0.4429813372684324
Energy: 0.44401818498786333
Energy: 0.572664001399671
Energy: 0.47859535292900235
Energy: 0.4825417255594067
Energy: 0.47987773017137597
Energy: 0.49412524579790623
Energy: 0.4833551029034149
Energy: 0.48395808575925947
Energy: 0.5371630870495968
Energy: 0.5372839844816611
Energy: 0.4715852986517291
Energy: 0.5383982193227878
Energy: 0.5146558988316238
Energy: 0.5485681726218118
Energy: 0.5196268720158927
Energy: 0.5165734547049886
Energy: 0.5021951290587786
Energy: 0.49794812826264795
Energy: 0.5059189931443376
Energy: 0.5827187960543713
Energy: 0.49752039159080763
Energy: 0.4986801663334928
Energy: 0.5320326799737017
Energy: 0.4954709760599246
Energy: 0.49998784773330107
Energy: 0.4950575636148457
Energy: 0.5319484182612351
Energy: 0.5323683993004986
Energy: 0.47101018511109766
Energy: 0.528974948963994
Energy: 0.49962460568050604

minimum gb energy = 0.44225746057386484 eV
minimum distance =  2.61186560789411 Angstroms
sigma value = 19


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

Energy: 0.5308064746424701
Energy: 0.4743416021700479
Energy: 0.45011981579237753
Energy: 0.46405577306105855
Energy: 0.4792885655818287
Energy: 0.4501685229191315
Energy: 0.567075365121007
Energy: 0.523481164655854
Energy: 0.4645975160934356
Energy: 0.464166654628676
Energy: 0.4723891211850338
Energy: 0.47011575730797295
Energy: 0.5658721062333338
Energy: 0.4709683434797577
Energy: 0.47001877427523064
Energy: 0.5404119139971617
Energy: 0.46611612324559487
Energy: 0.4753065696462742
Energy: 0.5628697689480003
Energy: 0.4667752221064688
Energy: 0.46920717592192196
Energy: 0.5028082003368067
Energy: 0.4653110392419171
Energy: 0.4696709947101453
Energy: 0.46573513814791745
Energy: 0.5318564062005291
Energy: 0.47589217024873465
Energy: 0.4676207566721896
Energy: 0.5411031726136224
Energy: 0.4747573424586684
Energy: 0.4800218625857015
Energy: 0.4712395818945542
Energy: 0.4639147242998559
Energy: 0.4814745778459079
Energy: 0.46481059983016104
Energy: 0.48742844735330604
Energy: 0.5576298947969255
Energy: 0.4577933514743758
Energy: 0.46272595693675067
Energy: 0.5763241205754601
Energy: 0.45746125822777833
Energy: 0.46249810081839005
Energy: 0.4589778443749051
Energy: 0.4581259147375403
Energy: 0.47057921928581997
Energy: 0.4597296328818807
Energy: 0.45854398048178907
Energy: 0.4698951796006159
Energy: 0.45914145346250146
Energy: 0.4720690824652302
Energy: 0.4707622337983964
Energy: 0.4651492660182793
Energy: 0.47107324082182983
Energy: 0.47037262540038494
Energy: 0.458619995456685
Energy: 0.4941860722060988
Energy: 0.4763432419596259
Energy: 0.46527186120776554
Energy: 0.49515976137482476
Energy: 0.4767808985215695
Energy: 0.5576720935438954
Energy: 0.4510495565540632
Energy: 0.4503214542956849
Energy: 0.5584407682262024
Energy: 0.45067262400836416
Energy: 0.4507314386874654
Energy: 0.5709776264372779
Energy: 0.4619455303396593
Energy: 0.45633871352787514
Energy: 0.4973367894492492
Energy: 0.4651776580522775
Energy: 0.45536939443820995
Energy: 0.48563072553918607
Energy: 0.4913870350918521
Energy: 0.5095106909953122
Energy: 0.4574135120015294
Energy: 0.4897282632182131
Energy: 0.47674701999845615
Energy: 0.5188992665858273
Energy: 0.45125782956536875
Energy: 0.49975128252490303
Energy: 0.44939119454911935
Energy: 0.4798189338891704
Energy: 0.4760216926933686
Energy: 0.5376752323433558
Energy: 0.46064444313569486
Energy: 0.45537593566585166
Energy: 0.45573499458554256
Energy: 0.4615487530022667
Energy: 0.45019907369856066
Energy: 0.5375821284091307
Energy: 0.46117781570870375
Energy: 0.45566460939607367
Energy: 0.4636435177614286
Energy: 0.4621899400761181
Energy: 0.4592025384837605
Energy: 0.4716756129611252
Energy: 0.5092513114880957
Energy: 0.4768078433924508
Energy: 0.45099661798877483
Energy: 0.5221437085469337
Energy: 0.4766073390085336
Energy: 0.5036019188907576
Energy: 0.4855241486815882
Energy: 0.45521145054563017
Energy: 0.4494886340741428
Energy: 0.5012256628481296
Energy: 0.4500487066898386
Energy: 0.5295960635774535
Energy: 0.46263048399331697
Energy: 0.49114356554565164
Energy: 0.531053901207685
Energy: 0.4491888135757921
Energy: 0.5072351435969997
Energy: 0.5217246942122646
Energy: 0.45394779346757913
Energy: 0.4918008735486848
Energy: 0.5014822680144337
Energy: 0.44893580930938565
Energy: 0.4905055132834824
Energy: 0.4521485545955909
Energy: 0.45012102447391567
Energy: 0.45523316170425904
Energy: 0.4501617337891114
Energy: 0.455641414039507
Energy: 0.4502048754168499
Energy: 0.46563718814898747
Energy: 0.4613231844038818
Energy: 0.4621101494042025
Energy: 0.46638599055174107
Energy: 0.45037889568123834
Energy: 0.45623115983887763
Energy: 0.48357186047215556
Energy: 0.46566785109452974
Energy: 0.47502561235692575
Energy: 0.45637277375945
Energy: 0.46558384747617865
Energy: 0.49685662406981124
Energy: 0.49373671368669875
Energy: 0.4472359927866473
Energy: 0.45024344477515
Energy: 0.484590202137613
Energy: 0.4474980917588506
Energy: 0.5120196444630982
Energy: 0.48762528303845293
Energy: 0.5006480282287543
Energy: 0.4502333769132784
Energy: 0.46206487514866745
Energy: 0.5019916968661078
Energy: 0.4500423233989824
Energy: 0.46975690959726907
Energy: 0.4640750728836562
Energy: 0.46511001515602146
Energy: 0.46398341912940216
Energy: 0.5341021895212753
Energy: 0.470279711766785
Energy: 0.5543435957213185
Energy: 0.4761676370324116
Energy: 0.4761986368141821
Energy: 0.4759415734576639
Energy: 0.47236098877621213
Energy: 0.47608736713199834
Energy: 0.5497218433921878
Energy: 0.4699396071741179
Energy: 0.4706081313414553
Energy: 0.4707927439855944
Energy: 0.46988206356625845
Energy: 0.47099776763252943
Energy: 0.4997135267115993
Energy: 0.4878344269130025
Energy: 0.5153913352727436
Energy: 0.44581706671659305
Energy: 0.4599592834143709
Energy: 0.4773508894701439

minimum gb energy = 0.44581706671659305 eV
minimum distance =  2.61797964596329 Angstroms
sigma value = 101


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

Energy: 0.7049068802245875
Energy: 0.4476638809182546
Energy: 0.4461369683742144
Energy: 0.6357342212982569
Energy: 0.446900878088322
Energy: 0.6356007855028152
Energy: 0.5722318105422108
Energy: 0.45109313870939277
Energy: 0.4531809838649799
Energy: 0.4484477581147793
Energy: 0.43799301121845113
Energy: 0.44768081448949976
Energy: 0.5768827385809548
Energy: 0.44850436146757405
Energy: 0.4489177285186357
Energy: 0.5375519828960708
Energy: 0.44838065158887724
Energy: 0.44864838371825416
Energy: 0.4590730059520186
Energy: 0.4483196187207118
Energy: 0.4476828974331808
Energy: 0.44846322024079827
Energy: 0.4479873735156068
Energy: 0.45337225733884934
Energy: 0.445665318836841
Energy: 0.5385255340682267
Energy: 0.4491074400720998
Energy: 0.44828987950530585
Energy: 0.5401574219516455
Energy: 0.4465613859446711
Energy: 0.4724245813162529
Energy: 0.4890774970000807
Energy: 0.4533342709659463
Energy: 0.47181308323943827
Energy: 0.4890045805694448
Energy: 0.44734311636197016
Energy: 0.4524559269688192
Energy: 0.43618268663616944
Energy: 0.44472934869292896
Energy: 0.44712247658566684
Energy: 0.435920610940116
Energy: 0.4460333490538893
Energy: 0.4372817396940333
Energy: 0.44839561259109356
Energy: 0.4476569687341831
Energy: 0.4384421504609202
Energy: 0.43652602244360755
Energy: 0.4466233645777543
Energy: 0.43874117993993755
Energy: 0.44568881958202394
Energy: 0.4478493542406949
Energy: 0.44004258783397626
Energy: 0.44669676443428935
Energy: 0.4479705023914181
Energy: 0.43758675760084487
Energy: 0.43860732623653836
Energy: 0.43886254052805795
Energy: 0.4471094772586453
Energy: 0.48095396763309806
Energy: 0.4461608509390533
Energy: 0.5638528574890893
Energy: 0.42564993035611703
Energy: 0.4261484058739086
Energy: 0.5395999527000707
Energy: 0.42585062538411705
Energy: 0.5208490090856384
Energy: 0.49981584471317697
Energy: 0.44783363274739496
Energy: 0.4473889687084533
Energy: 0.4632374624137927
Energy: 0.4489202363987769
Energy: 0.44490476240652393
Energy: 0.45459956350799585
Energy: 0.5472567585217565
Energy: 0.44727147919568017
Energy: 0.4372527993561984
Energy: 0.5276083073978534
Energy: 0.4475493112754506
Energy: 0.4540508413626275
Energy: 0.47458123624168286
Energy: 0.467290246629316
Energy: 0.44529917244703426
Energy: 0.45441757548506
Energy: 0.4479455759570561
Energy: 0.5528335343593963
Energy: 0.4498121908409268
Energy: 0.44803281581027266
Energy: 0.4441890957011155
Energy: 0.4469076794934913
Energy: 0.4475885670479905
Energy: 0.5528879571411678
Energy: 0.44788239103438804
Energy: 0.44868702547621553
Energy: 0.47103244113443826
Energy: 0.4565209620733563
Energy: 0.4477952169686065
Energy: 0.7089520811246586
Energy: 0.4816838173701764
Energy: 0.46451565276749573
Energy: 0.42470898216462816
Energy: 0.48080515255000594
Energy: 0.424532716511899
Energy: 0.5392769937548052
Energy: 0.4379079215990464
Energy: 0.44749370623093054
Energy: 0.46677611733570595
Energy: 0.43779560174266796
Energy: 0.4464726365846369
Energy: 0.5792916102536324
Energy: 0.44813076578816347
Energy: 0.4482658982959854
Energy: 0.53738307423868
Energy: 0.44820709089168354
Energy: 0.4480108973341435
Energy: 0.5051368250993294
Energy: 0.44843579850693327
Energy: 0.4485233371829037
Energy: 0.4473641688906935
Energy: 0.44786828577692356
Energy: 0.4478703929972554
Energy: 0.44740127874678914
Energy: 0.5037276524810471
Energy: 0.44835553076785106
Energy: 0.4478875068753877
Energy: 0.5383841420739951
Energy: 0.44653961154966454
Energy: 0.4723146086088268
Energy: 0.44684317923557354
Energy: 0.4458342057386727
Energy: 0.47348609098316813
Energy: 0.4473161037867913
Energy: 0.4477968957611826
Energy: 0.45301185108947006
Energy: 0.436328595948362
Energy: 0.43602535879872784
Energy: 0.45389688519682303
Energy: 0.43678003476590627
Energy: 0.4360677934344434
Energy: 0.43734222809928536
Energy: 0.4597196396704836
Energy: 0.4520663637276903
Energy: 0.438216496294845
Energy: 0.4482115913625952
Energy: 0.4692129205594946
Energy: 0.44116361344435207
Energy: 0.4386492314822868
Energy: 0.44690783686814095
Energy: 0.44798810664473343
Energy: 0.44658190394263625
Energy: 0.44801123964564943
Energy: 0.4383730911094419
Energy: 0.43877024789954844
Energy: 0.44407430445291407
Energy: 0.4393604400890542
Energy: 0.4479458672616143
Energy: 0.4479677737628617
Energy: 0.53791563260154
Energy: 0.42574409859880025
Energy: 0.42570077287056324
Energy: 0.4968980455032317
Energy: 0.4259164029148232
Energy: 0.42612557809169993
Energy: 0.5274221604091769
Energy: 0.4261523339151796
Energy: 0.4261953424625861
Energy: 0.528068810842061
Energy: 0.42598669402479644
Energy: 0.4471344569478418
Energy: 0.4555437137445192
Energy: 0.4530175916126128
Energy: 0.4606165229436231
Energy: 0.4357613668151164
Energy: 0.5278741348621498
Energy: 0.46030864074611433
Energy: 0.4555675128186453
Energy: 0.45318615821440156
Energy: 0.47248044970310815
Energy: 0.4358603833245397
Energy: 0.4769578493517571
Energy: 0.47220186580714
Energy: 0.5579556098637378
Energy: 0.4457654898481414
Energy: 0.4474151599370139
Energy: 0.4451168223423471
Energy: 0.44782798314193745
Energy: 0.44583245016786327
Energy: 0.5532037658919186
Energy: 0.44724684991346714
Energy: 0.44781928571001844
Energy: 0.4466637156925071
Energy: 0.4474249756075047
Energy: 0.44733916575080207
Energy: 0.4611002061642919
Energy: 0.43800676887498236
Energy: 0.468980386153565
Energy: 0.4246449882923548
Energy: 0.4385243150182602
Energy: 0.46959544563162886

minimum gb energy = 0.424532716511899 eV
minimum distance =  2.62855311757709 Angstroms
sigma value = 33


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

Energy: 0.011681161274927082
Energy: 0.4074104267452192
Energy: 0.012055228961699357
Energy: 0.013057083147354516
Energy: 0.4065729406376575
Energy: 0.011944607096942391
Energy: 0.33693980892720343
Energy: 0.06317052270914317
Energy: 0.062300281078209306
Energy: 0.06173861927082207
Energy: 0.062158461776556234
Energy: 0.06190741957053644
Energy: 0.6820619502533766
Energy: 0.4076536887253068
Energy: 0.40603174874424447
Energy: 0.40625030360128844
Energy: 0.4062363128792589
Energy: 0.4058158288906517
Energy: 0.012142234229135787
Energy: 0.0631705227094769
Energy: 0.06230028107854302
Energy: 0.06173861927117542
Energy: 0.062158461776556234
Energy: 0.06190741957018309

minimum gb energy = 0.011681161274927082 eV
minimum distance =  2.82842481533531 Angstroms
sigma value = 1