Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499994456768045
cohesive_energy=3.299025747576126
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.061233718112 eV

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

Energy: 0.010166632322293478
Energy: 0.010704082692553147
Energy: 0.4010584598549032
Energy: 0.010704082692553147
Energy: 0.010704082692553147
Energy: 0.2984713750044568
Energy: 0.010704082692553147
Energy: 0.2984713750044568
Energy: 0.4010584598549032
Energy: 0.010704082692081193
Energy: 0.010166632322293478
Energy: 0.010704082692081193
Energy: 0.010704082692553147
Energy: 0.2984713750044568
Energy: 0.010704082692081193
Energy: 0.2984713750044568

minimum gb energy = 0.010166632322293478 eV
minimum distance =  2.83991039326145 Angstroms
sigma value = 1


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

Energy: 0.4748607266814076
Energy: 0.4826828620375829
Energy: 0.5231808561178772
Energy: 0.482682862038795
Energy: 0.47467514274844935
Energy: 0.4729914550201423
Energy: 0.4835114509725078
Energy: 0.4729914550213544
Energy: 0.4707781516255895
Energy: 0.4743612070094974
Energy: 0.4712457306395948
Energy: 0.4743612070101035
Energy: 0.44752935497508345
Energy: 0.458468225736899
Energy: 0.45398842573121384
Energy: 0.458468225736293
Energy: 0.448988185498424
Energy: 0.48651281475356023
Energy: 0.4850824931420095
Energy: 0.48651281475295416
Energy: 0.4491393716259072
Energy: 0.48333888574155187
Energy: 0.455761240734454
Energy: 0.48333888574215794
Energy: 0.47635209890095487
Energy: 0.4700541183615251
Energy: 0.4495314927865434
Energy: 0.4700541183615251
Energy: 0.4388518935801627
Energy: 0.4857766628341079
Energy: 0.4549565148857497
Energy: 0.4857766628347139
Energy: 0.4539562102088768
Energy: 0.45407381080238385
Energy: 0.4780654354031143
Energy: 0.4540738108029899
Energy: 0.45242943497480625
Energy: 0.47385948291265084
Energy: 0.43864970439916645
Energy: 0.47385948291265084
Energy: 0.46654050166320943
Energy: 0.4796870665302321
Energy: 0.4539159949441874
Energy: 0.4796870665308381
Energy: 0.47762849350688485
Energy: 0.4856751336798212
Energy: 0.458647099522645
Energy: 0.48567513368042725
Energy: 0.4526648120963139
Energy: 0.4735952364828472
Energy: 0.4764179560109653
Energy: 0.4735952364822411
Energy: 0.4556008748779135
Energy: 0.4813857316549112
Energy: 0.4511675897585492
Energy: 0.4813857316543052
Energy: 0.4662507087299117
Energy: 0.48326261407919324
Energy: 0.4528734518219958
Energy: 0.48326261407919324
Energy: 0.4697299370681048
Energy: 0.48295843743069633
Energy: 0.4779492395667651
Energy: 0.4829584374294842
Energy: 0.4710867386147289
Energy: 0.47435822124259513
Energy: 0.444661958503271
Energy: 0.47435822124320115
Energy: 0.483377972282859
Energy: 0.47155577444454355
Energy: 0.4752976596766265
Energy: 0.4715557744433314
Energy: 0.47743106208119745
Energy: 0.4854687751629186
Energy: 0.45830943187179446
Energy: 0.4854687751623126
Energy: 0.5048520338681953
Energy: 0.45405934852783936
Energy: 0.4548287346323809
Energy: 0.4540593485284454
Energy: 0.4536905123796867
Energy: 0.47440635407683596
Energy: 0.4445259012706022
Energy: 0.47440635407683596
Energy: 0.45403644223817025
Energy: 0.45808990908917957
Energy: 0.4669786241640931
Energy: 0.4580899090885735
Energy: 0.4673173379043771
Energy: 0.4860448360592715
Energy: 0.44356207288544647
Energy: 0.4860448360592715
Energy: 0.47393912627734003
Energy: 0.4746498831491521
Energy: 0.4492386813572864
Energy: 0.4746498831491521
Energy: 0.4494789142484948
Energy: 0.4504187038249158
Energy: 0.4762699600007961
Energy: 0.4504187038243098
Energy: 0.4507719916662077
Energy: 0.48558181844008985
Energy: 0.44377114576786436
Energy: 0.4855818184388778
Energy: 0.47031902806359255
Energy: 0.4759798166858928
Energy: 0.45394931986780523
Energy: 0.4759798166858928
Energy: 0.44535123089047535
Energy: 0.47265749877864327
Energy: 0.46448158672621775
Energy: 0.47265749877864327
Energy: 0.4743035940191541
Energy: 0.47200876242192175
Energy: 0.4663214188215507
Energy: 0.4720087624225278
Energy: 0.4760832851458926
Energy: 0.4835270752912155
Energy: 0.4845077790946907
Energy: 0.4835270752912155
Energy: 0.45864967708053267
Energy: 0.4762842957571535
Energy: 0.45279328734804786
Energy: 0.4762842957571535
Energy: 0.4721536673014639
Energy: 0.4756166151222387
Energy: 0.4556223481951362
Energy: 0.4756166151210265
Energy: 0.44891961724991486
Energy: 0.45928927479017595
Energy: 0.45513103093649104
Energy: 0.4592892747913881

minimum gb energy = 0.43864970439916645 eV
minimum distance =  2.55758849734481 Angstroms
sigma value = 1


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

Energy: 0.4864252221849917
Energy: 0.514859539829178
Energy: 0.5490228047155373
Energy: 0.514859539827796
Energy: 0.48612515080436836
Energy: 0.49073561608663396
Energy: 0.4875398575128556
Energy: 0.4907356160824879
Energy: 0.4803280071384429
Energy: 0.5138221158007629
Energy: 0.4615251270971742
Energy: 0.5138221158021449
Energy: 0.46386674993470356
Energy: 0.4656846646586652
Energy: 0.4641249146979059
Energy: 0.46568466466073827
Energy: 0.46383583445475995
Energy: 0.49926102571301656
Energy: 0.5011415551761316
Energy: 0.49926102571232545
Energy: 0.49705609977566734
Energy: 0.49943096526182845
Energy: 0.5559809535381189
Energy: 0.4994309652590644
Energy: 0.49631522685345214
Energy: 0.4655937320788365
Energy: 0.45544118196071415
Energy: 0.4655937320781455
Energy: 0.44867435603889494
Energy: 0.5140842668446339
Energy: 0.4697229441140892
Energy: 0.5140842668432518
Energy: 0.46383282702802986
Energy: 0.4705395157933471
Energy: 0.48763033200642014
Energy: 0.4705395157947291
Energy: 0.4699803695045712
Energy: 0.5143550264892282
Energy: 0.460497235186136
Energy: 0.5143550264933743
Energy: 0.496560162982716
Energy: 0.48556710283169796
Energy: 0.49433412130814874
Energy: 0.48556710283169796
Energy: 0.45597470545409763
Energy: 0.506269807664924
Energy: 0.48293644040825495
Energy: 0.5062698076663059
Energy: 0.47099213222086544
Energy: 0.4971824395086137
Energy: 0.4902593817251929
Energy: 0.49718243951068675
Energy: 0.4710570622454218
Energy: 0.49721052828495566
Energy: 0.4789854791476098
Energy: 0.49721052828080964
Energy: 0.4560545186258926
Energy: 0.5062675937053066
Energy: 0.4669232517171791
Energy: 0.5062675937032337
Energy: 0.49654475214302174
Energy: 0.48555930966836713
Energy: 0.4874692127142854
Energy: 0.48555930966698513
Energy: 0.46997641972868465
Energy: 0.514309778498026
Energy: 0.463287938379766
Energy: 0.5143097784959529
Energy: 0.463820542192907
Energy: 0.4705832924202966
Energy: 0.4877566222835127
Energy: 0.4705832924216786
Energy: 0.4486694336979723
Energy: 0.5140554613132572
Energy: 0.4647663941958451
Energy: 0.5140554613152988
Energy: 0.49632912571597987
Energy: 0.465486276830823
Energy: 0.461719942991354
Energy: 0.465486276830823
Energy: 0.4970910261718479
Energy: 0.49946755577598434
Energy: 0.4640436115039277
Energy: 0.49946755577598434
Energy: 0.4641242953185758
Energy: 0.4992326529718951
Energy: 0.4971884634883558
Energy: 0.4992326529718951
Energy: 0.4639971880845462
Energy: 0.46568271893185
Energy: 0.4554420984343937
Energy: 0.46568271892908597
Energy: 0.4802805266949365
Energy: 0.5138404782769819
Energy: 0.4615351663084601
Energy: 0.5138404782755999
Energy: 0.4861732507627356
Energy: 0.4907497624956598
Energy: 0.4876617296965093
Energy: 0.4907497624998059
Energy: 0.4864252221849917
Energy: 0.514859539829178
Energy: 0.5134834771742903
Energy: 0.514859539827796
Energy: 0.48612515080436836
Energy: 0.49073561608663396
Energy: 0.4875398575128556
Energy: 0.4907356160824879
Energy: 0.4803280071384429
Energy: 0.5138221158007629
Energy: 0.4749045294346233
Energy: 0.5138221158021449
Energy: 0.46386674993608557
Energy: 0.4656846646586652
Energy: 0.4641249146979059
Energy: 0.46568466466073827

minimum gb energy = 0.4486694336979723 eV
minimum distance =  2.52189596767342 Angstroms
sigma value = 25


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

Energy: 0.5026586352403623
Energy: 0.5270817001050185
Energy: 0.5811566509981058
Energy: 0.5270817001050185
Energy: 0.5106109232600886
Energy: 0.5082804504086381
Energy: 0.47844654723676205
Energy: 0.5082804504086381
Energy: 0.4961737582057241
Energy: 0.5540667633055021
Energy: 0.47964688673509254
Energy: 0.5540667633055021
Energy: 0.4797594576116415
Energy: 0.48490671573004845
Energy: 0.47018051952014495
Energy: 0.4849067157292452
Energy: 0.4725898192943132
Energy: 0.5123329046274012
Energy: 0.5003666684638609
Energy: 0.5123329046274012
Energy: 0.5155907732187017
Energy: 0.5319224608338913
Energy: 0.5845252414467612
Energy: 0.5319224608338913
Energy: 0.510261829555553
Energy: 0.481602903004888
Energy: 0.4868286486731567
Energy: 0.481602903004888
Energy: 0.5498944114222973
Energy: 0.5285372325683093
Energy: 0.46204399116620726
Energy: 0.5285372325683093
Energy: 0.4868748897386677
Energy: 0.5080667039808822
Energy: 0.5104026379461251
Energy: 0.5080667039816855
Energy: 0.4891857571909296
Energy: 0.5318663032165312
Energy: 0.46764709774021174
Energy: 0.5318663032165312
Energy: 0.5070932384171776
Energy: 0.5153100131200277
Energy: 0.4782010303669386
Energy: 0.515310013120831
Energy: 0.502771766218779
Energy: 0.5272376103858306
Energy: 0.47804136117836465
Energy: 0.5272376103858306
Energy: 0.48903787982811575
Energy: 0.519182015582978
Energy: 0.46680519043193736
Energy: 0.519182015582978
Energy: 0.4871070096718419
Energy: 0.5134300798858416
Energy: 0.5235636701022692
Energy: 0.5134300798866448
Energy: 0.4767331165793723
Energy: 0.5295744910214132
Energy: 0.46086655847501445
Energy: 0.5295744910214132
Energy: 0.47789331195279955
Energy: 0.4808941061998582
Energy: 0.47152817218696286
Energy: 0.48089410619905487
Energy: 0.45794832337449703
Energy: 0.55811192041946
Energy: 0.4578702032042022
Energy: 0.55811192041946
Energy: 0.47012194853737255
Energy: 0.511886793804017
Energy: 0.5058205420922229
Energy: 0.511886793804017
Energy: 0.479782059203134
Energy: 0.4860467890883913
Energy: 0.4710138530303928
Energy: 0.486046789087588
Energy: 0.5223514066807098
Energy: 0.5569953870018405
Energy: 0.4786295170013424
Energy: 0.5569953870018405
Energy: 0.48425806029092605
Energy: 0.5135740707238644
Energy: 0.4783816760006519
Energy: 0.5135740707238644
Energy: 0.5037686845929273
Energy: 0.5280049690075349
Energy: 0.515006680448733
Energy: 0.5280049690067317
Energy: 0.5100172277161711
Energy: 0.5095052497026665
Energy: 0.47840420571633696
Energy: 0.5095052497026665
Energy: 0.4966802489303347
Energy: 0.5530244197638227
Energy: 0.48960251926313103
Energy: 0.5530244197638227
Energy: 0.4785234630536243
Energy: 0.48442450943947174
Energy: 0.46975712819306803
Energy: 0.4844245094386685

minimum gb energy = 0.4578702032042022 eV
minimum distance =  2.53856220095882 Angstroms
sigma value = 9


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

Energy: 0.5191905015491967
Energy: 0.540201826483128
Energy: 0.6224852501697303
Energy: 0.5402018264840863
Energy: 0.49655184858518
Energy: 0.5355346901753195
Energy: 0.49774505932664315
Energy: 0.5355346901743613
Energy: 0.5154893466311585
Energy: 0.5034801874763642
Energy: 0.5111351692236843
Energy: 0.5034801874754059
Energy: 0.49870093650914593
Energy: 0.49786356464109677
Energy: 0.4719737681532374
Energy: 0.49786356464109677
Energy: 0.5404339114161277
Energy: 0.5361998272871247
Energy: 0.5023459428715814
Energy: 0.5361998272880829
Energy: 0.46467090115372034
Energy: 0.5150779817458072
Energy: 0.5287104931813559
Energy: 0.5150779817438907
Energy: 0.49798864092700057
Energy: 0.4714636995297157
Energy: 0.4721034113389563
Energy: 0.4714636995297157
Energy: 0.5216789623461267
Energy: 0.5152464637063149
Energy: 0.47182092866373737
Energy: 0.5152464637072732
Energy: 0.4985124672389987
Energy: 0.5368802079553879
Energy: 0.4971982750925871
Energy: 0.5368802079563244
Energy: 0.49899581197967263
Energy: 0.5184699648808967
Energy: 0.47656341360740534
Energy: 0.5184699648818549
Energy: 0.4791577202277522
Energy: 0.5437325228956109
Energy: 0.5110853928741226
Energy: 0.5437325228956109
Energy: 0.49902077633625086
Energy: 0.532232177892915
Energy: 0.4720057336755526
Energy: 0.5322321778919568
Energy: 0.4645623392815511
Energy: 0.5038266225872534
Energy: 0.49930116506295336
Energy: 0.5038266225872534
Energy: 0.5041782546279725
Energy: 0.5035123914340428
Energy: 0.4971885318736854
Energy: 0.5035123914340428
Energy: 0.46457049569242964
Energy: 0.5037904672469026
Energy: 0.5216190752307701
Energy: 0.5037904672478608
Energy: 0.4989604111615272
Energy: 0.5322014914304726
Energy: 0.4719942064704894
Energy: 0.532201491432389
Energy: 0.4791659016761061
Energy: 0.5437094959433398
Energy: 0.4866739128715329
Energy: 0.5437094959442982
Energy: 0.4990450311374853
Energy: 0.5184763277082235
Energy: 0.4765985831939635
Energy: 0.5184763277091817
Energy: 0.4985955724207802
Energy: 0.5368987529482275
Energy: 0.4873763683807882
Energy: 0.5368987529482275
Energy: 0.5216837674506507
Energy: 0.5152900970850459
Energy: 0.4718173585497101
Energy: 0.5152900970850459
Energy: 0.49802450617377314
Energy: 0.47142826935337984
Energy: 0.4721028622925263
Energy: 0.47142826935337984

minimum gb energy = 0.4645623392815511 eV
minimum distance =  2.65169953402573 Angstroms
sigma value = 25


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

Energy: 0.49155152208185016
Energy: 0.5875519960087195
Energy: 0.6140323429382186
Energy: 0.5875519960075615
Energy: 0.4787564480804003
Energy: 0.5447711152516044
Energy: 0.4771547554307256
Energy: 0.5447711152527893
Energy: 0.479436936583436
Energy: 0.5421143420287214
Energy: 0.4825355967051944
Energy: 0.5421143420287214
Energy: 0.4922323219697467
Energy: 0.5442029968184601
Energy: 0.5418443704367086
Energy: 0.5442029968184601
Energy: 0.5411585710879455
Energy: 0.47878561708621353
Energy: 0.5211828425450197
Energy: 0.47878561708621353
Energy: 0.4796113350962497
Energy: 0.6112341791655416
Energy: 0.47802076949178074
Energy: 0.6112341791643565
Energy: 0.477790314884807
Energy: 0.5524025505914502
Energy: 0.4783643479701217
Energy: 0.5524025505914502
Energy: 0.5389282288324695
Energy: 0.5880395548952405
Energy: 0.49193499216359937
Energy: 0.5880395548964257
Energy: 0.4823828091403532
Energy: 0.5276544013240752
Energy: 0.48009588086267796
Energy: 0.5276544013228901
Energy: 0.5553008426881743
Energy: 0.5595036027268452
Energy: 0.4794894128503125
Energy: 0.5595036027268452
Energy: 0.5190578121443385
Energy: 0.5872585518180895
Energy: 0.6022254645880449
Energy: 0.5872585518180895
Energy: 0.4786971839933813
Energy: 0.4956771138766652
Energy: 0.5568789898782814
Energy: 0.4956771138766652
Energy: 0.5437092383967477
Energy: 0.5428816063015655
Energy: 0.47880226890333727
Energy: 0.5428816063015655
Energy: 0.47730899362715534
Energy: 0.4774865357786047
Energy: 0.49225548737238856
Energy: 0.4774865357786047
Energy: 0.47718860599025203
Energy: 0.5693708865653455
Energy: 0.5397854278905104
Energy: 0.5693708865653455
Energy: 0.47955102267741506
Energy: 0.5424502265324143
Energy: 0.479639215920768
Energy: 0.5424502265324143
Energy: 0.48229665176484227
Energy: 0.5154481858379346
Energy: 0.5560769641618102
Energy: 0.5154481858379346

minimum gb energy = 0.4771547554307256 eV
minimum distance =  2.65808216615217 Angstroms
sigma value = 17


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

Energy: 0.5641133006642892
Energy: 0.5647022257998477
Energy: 0.6743638289702927
Energy: 0.5647022257991766
Energy: 0.5665615692015565
Energy: 0.5292772687665821
Energy: 0.4981773500842248
Energy: 0.5292772687659109
Energy: 0.6036233900339762
Energy: 0.5628848226619666
Energy: 0.4982290295374323
Energy: 0.5628848226626377
Energy: 0.5478487738432587
Energy: 0.599001142236424
Energy: 0.5339327908577595
Energy: 0.599001142236424
Energy: 0.5702647229531721
Energy: 0.5365069940254679
Energy: 0.524268996478942
Energy: 0.5365069940254679
Energy: 0.5054996702326988
Energy: 0.5174991992875384
Energy: 0.5608227233800219
Energy: 0.517499199285525
Energy: 0.49947593122266193
Energy: 0.5539434717178484
Energy: 0.4995660550612624
Energy: 0.5539434717191908
Energy: 0.5600941657519963
Energy: 0.5350733222530405
Energy: 0.5047103812890341
Energy: 0.535073322251027
Energy: 0.5064175240400096
Energy: 0.5918690103825415
Energy: 0.5731692567681258
Energy: 0.5918690103832125
Energy: 0.6054340508544866
Energy: 0.5497471967122025
Energy: 0.49875961418545556
Energy: 0.5497471967115314
Energy: 0.5008920907380539
Energy: 0.5686895721644943
Energy: 0.604361683097643
Energy: 0.5686895721644943
Energy: 0.5062755837272421
Energy: 0.5526615620372082
Energy: 0.5055210239987683
Energy: 0.5526615620378794
Energy: 0.6110939042774853
Energy: 0.5629301684607647
Energy: 0.5597708622822914
Energy: 0.5629301684627477
Energy: 0.4984151463468676
Energy: 0.5707405290333906
Energy: 0.5697321162946186
Energy: 0.570740529031377
Energy: 0.5393220868341612
Energy: 0.5551398007500691
Energy: 0.5062026615088607
Energy: 0.5551398007500691
Energy: 0.5591746334419967
Energy: 0.5192772951462498
Energy: 0.558824713263505
Energy: 0.5192772951422228
Energy: 0.5006441421122008
Energy: 0.5760626774159969
Energy: 0.6110453436625701
Energy: 0.5760626774159969
Energy: 0.5907283765599811
Energy: 0.5533809888384355
Energy: 0.5055001371059791
Energy: 0.5533809888391067
Energy: 0.5320290578137971
Energy: 0.5770060016007638
Energy: 0.5206123665527297
Energy: 0.5770060016007638
Energy: 0.5299691534349723
Energy: 0.6015072136836114
Energy: 0.4997695561841871
Energy: 0.6015072136842824
Energy: 0.5286257939203596
Energy: 0.5638660474124143
Energy: 0.5578754327547482
Energy: 0.5638660474130854
Energy: 0.49878258141849907
Energy: 0.5973920397955212
Energy: 0.6072532978948731
Energy: 0.5973920397961923
Energy: 0.5751802223421952
Energy: 0.5708477000518016
Energy: 0.49824827986810044
Energy: 0.5708477000518016
Energy: 0.5069618917303471
Energy: 0.5553523801720968
Energy: 0.5570556507651947
Energy: 0.5553523801727681
Energy: 0.5377079145257774
Energy: 0.5634796258321222
Energy: 0.6033670744666522
Energy: 0.5634796258307798
Energy: 0.573492577284816
Energy: 0.5620111939503208
Energy: 0.4988730664856188
Energy: 0.5620111939489786
Energy: 0.5169132565077968
Energy: 0.5665640940396721
Energy: 0.6209498983933941
Energy: 0.5665640940403434
Energy: 0.5616745811924707
Energy: 0.5334884560679233
Energy: 0.558054222767351
Energy: 0.5334884560712789
Energy: 0.6055951879429852
Energy: 0.601640864408734
Energy: 0.49943526426815554
Energy: 0.6016408644100764
Energy: 0.504794231459343
Energy: 0.5774810676426234
Energy: 0.5912531062920143
Energy: 0.5774810676426234

minimum gb energy = 0.4981773500842248 eV
minimum distance =  2.45904193349462 Angstroms
sigma value = 53


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

Energy: 0.48181945836785356
Energy: 0.482192854572244
Energy: 0.7228383775957054
Energy: 0.482192854572244
Energy: 0.5738656753486204
Energy: 0.5320874080509741
Energy: 0.5392940104535442
Energy: 0.5320874080509741
Energy: 0.49309089890882185
Energy: 0.4818324496683393
Energy: 0.4908775674712993
Energy: 0.4818324496683393
Energy: 0.4931760132016971
Energy: 0.4818346674117978
Energy: 0.4908786783477082
Energy: 0.48183466741025266
Energy: 0.5737883065968074
Energy: 0.5320781429373116
Energy: 0.5628210444808515
Energy: 0.5320781429373116
Energy: 0.48181945836939866
Energy: 0.4821928545706989
Energy: 0.6481998179616136
Energy: 0.482192854572244
Energy: 0.5738656753470753
Energy: 0.5320874080525192
Energy: 0.5697304232199739
Energy: 0.5320874080525192
Energy: 0.4930908751862028
Energy: 0.4818324496683393
Energy: 0.5308854354383783
Energy: 0.4818324496683393
Energy: 0.49316568597889576
Energy: 0.48183466741025266
Energy: 0.5406910318666176
Energy: 0.48183466741025266
Energy: 0.5737883065937172
Energy: 0.5320781429388568
Energy: 0.588810456205711
Energy: 0.5320781429388568
Energy: 0.48181945836785356
Energy: 0.482192854572244
Energy: 0.654125060437893
Energy: 0.482192854572244
Energy: 0.5738656753470753
Energy: 0.5320874080509741
Energy: 0.5697304232153386
Energy: 0.5320874080509741
Energy: 0.49309230058653
Energy: 0.4818324496683393
Energy: 0.5699718604579537
Energy: 0.4818324496683393

minimum gb energy = 0.48181945836785356 eV
minimum distance =  2.59780969898908 Angstroms
sigma value = 9


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

Energy: 0.5315045447009751
Energy: 0.6303229893374418
Energy: 0.7114691810450883
Energy: 0.6303229893362982
Energy: 0.6283675764497219
Energy: 0.5635992778083394
Energy: 0.5443705798965994
Energy: 0.5635992778071955
Energy: 0.5455427998039821
Energy: 0.5218193562029336
Energy: 0.5337136589246895
Energy: 0.5218193562017899
Energy: 0.5995708464116778
Energy: 0.6206830353998051
Energy: 0.5447523250982098
Energy: 0.6206830353992332
Energy: 0.6461769978200015
Energy: 0.5493510916311327
Energy: 0.5418090729434138
Energy: 0.5493510916311327
Energy: 0.5230701490512315
Energy: 0.5205917502487817
Energy: 0.5987250529897526
Energy: 0.5205917502493534
Energy: 0.6857001868260488
Energy: 0.5465690976339925
Energy: 0.5451179735820756
Energy: 0.5465690976328488
Energy: 0.5468950579000923
Energy: 0.5683901398583134
Energy: 0.5925501836463434
Energy: 0.5683901398588853
Energy: 0.5489272506301051
Energy: 0.6233469384370662
Energy: 0.5273891883522032
Energy: 0.6233469384370662
Energy: 0.5449150431947956
Energy: 0.5611170374461174
Energy: 0.5444920878977912
Energy: 0.5611170374472613
Energy: 0.5540731876124225
Energy: 0.5695755450146195
Energy: 0.6779048353552766
Energy: 0.5695755450146195
Energy: 0.5973189683268327
Energy: 0.5928404772251518
Energy: 0.5434936855577251
Energy: 0.5928404772257236
Energy: 0.549247354842036
Energy: 0.6307440391882525
Energy: 0.6334373650236584
Energy: 0.6307440391888244
Energy: 0.6104706161645436
Energy: 0.6130907186691702
Energy: 0.5332775409209407
Energy: 0.6130907186674546
Energy: 0.5453749881501729
Energy: 0.593492373321167
Energy: 0.581760599011959
Energy: 0.593492373321167
Energy: 0.5510219765078191
Energy: 0.6158332212955263
Energy: 0.6024873570628261
Energy: 0.6158332212960982
Energy: 0.5679212821687479
Energy: 0.5943028372616028
Energy: 0.5457437115206017
Energy: 0.5943028372621747
Energy: 0.5558660104941543
Energy: 0.54546092018907
Energy: 0.6146678346079104
Energy: 0.5454609201879264
Energy: 0.6133770456457927
Energy: 0.5861029477120971
Energy: 0.5235599361960475
Energy: 0.5861029477120971
Energy: 0.5413122872145489
Energy: 0.5703933410827348
Energy: 0.5743451657868324
Energy: 0.5703933410838785
Energy: 0.5939024479266563
Energy: 0.6022346912971341
Energy: 0.598742922727354
Energy: 0.6022346912965624
Energy: 0.5742473098159566
Energy: 0.5433210855893923
Energy: 0.5453787750652811
Energy: 0.5433210855882485
Energy: 0.5275327424405448
Energy: 0.588026063896426
Energy: 0.5517907384066183
Energy: 0.5880260638958541
Energy: 0.6648294466848946
Energy: 0.5989340748437391
Energy: 0.5510912156467425
Energy: 0.598934074844311
Energy: 0.5438515758322001
Energy: 0.6063631883367286
Energy: 0.6351279310444905
Energy: 0.606363188335585
Energy: 0.5820348665847338
Energy: 0.5661895474271642
Energy: 0.5480496117875967
Energy: 0.5661895474277361
Energy: 0.5587837428463356
Energy: 0.6049131075378691
Energy: 0.5967942674937259
Energy: 0.6049131075384411
Energy: 0.5308842256139734
Energy: 0.6237711059751363
Energy: 0.5986061346146718
Energy: 0.6237711059745643
Energy: 0.5590632305634661
Energy: 0.5659405656309311
Energy: 0.5475952172431667
Energy: 0.565940565631503
Energy: 0.5440934536639157
Energy: 0.667290986480324
Energy: 0.6578675394724265
Energy: 0.667290986480896
Energy: 0.650385135806755
Energy: 0.5983497101199591
Energy: 0.5505215768845246
Energy: 0.5983497101199591
Energy: 0.5224721833063332
Energy: 0.5474310476017172
Energy: 0.5484045253080313
Energy: 0.5474310476022891
Energy: 0.5240919056918732
Energy: 0.5820469918064529
Energy: 0.5445039863121656
Energy: 0.5820469918041654
Energy: 0.5943684473823353
Energy: 0.5665851822430883
Energy: 0.599234812111901
Energy: 0.5665851822436603
Energy: 0.5408579312987105
Energy: 0.6217788404784355
Energy: 0.6875679624257172
Energy: 0.6217788404772917

minimum gb energy = 0.5205917502487817 eV
minimum distance =  2.51149456894161 Angstroms
sigma value = 73


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

Energy: 0.5470632406977618
Energy: 0.5475925090613275
Energy: 0.7454530686621812
Energy: 0.5475925090613275
Energy: 0.5665876082275588
Energy: 0.5623597980360151
Energy: 0.5132893292093181
Energy: 0.5623597980369224
Energy: 0.5533323272207288
Energy: 0.5510018509616447
Energy: 0.5267980444370158
Energy: 0.5510018509616447
Energy: 0.5579168127242162
Energy: 0.5355298596156273
Energy: 0.5616634234783109
Energy: 0.5355298596147198
Energy: 0.5400125572024144
Energy: 0.5680161587476055
Energy: 0.5480868392622302
Energy: 0.5680161587485127
Energy: 0.5491847459238758
Energy: 0.5313316128677168
Energy: 0.6469047977704798
Energy: 0.5313316128695313
Energy: 0.6681748334005194
Energy: 0.5860585512501493
Energy: 0.5521613849771987
Energy: 0.5860585512510565
Energy: 0.5469950845544853
Energy: 0.5129225361536388
Energy: 0.620310319174282
Energy: 0.5129225361527314
Energy: 0.6550578100273725
Energy: 0.5132977840436505
Energy: 0.5133749575930634
Energy: 0.5132977840436505
Energy: 0.5495933805593137
Energy: 0.5479905648668836
Energy: 0.5131009296085459
Energy: 0.5479905648686981
Energy: 0.5464838465993017
Energy: 0.5521052136730454
Energy: 0.6269863353441664
Energy: 0.5521052136730454
Energy: 0.5926595652039448
Energy: 0.5328488870872273
Energy: 0.5469252898181238
Energy: 0.53284888708632
Energy: 0.5462897326254648
Energy: 0.5475407202428425
Energy: 0.6164663047532521
Energy: 0.5475407202410278
Energy: 0.6590153172046392
Energy: 0.5783928456516523
Energy: 0.5589766152793708
Energy: 0.5783928456516523
Energy: 0.544042018398891
Energy: 0.5700571004793161
Energy: 0.6092520876530982
Energy: 0.5700571004784089
Energy: 0.6243346157533392
Energy: 0.5609908610591144
Energy: 0.5508045818911093
Energy: 0.5609908610591144
Energy: 0.5486997912668371
Energy: 0.5810827101983872
Energy: 0.5531831508489111
Energy: 0.5810827101983872
Energy: 0.5534897225672234
Energy: 0.547112406690141
Energy: 0.5627779122532532
Energy: 0.547112406690141
Energy: 0.5917358809429433
Energy: 0.5130088979375989
Energy: 0.5480035502965985
Energy: 0.5130088979385062
Energy: 0.551164087401252
Energy: 0.5714449471088431
Energy: 0.6905992707790886
Energy: 0.5714449471070284
Energy: 0.6260214037931351
Energy: 0.5505735212201355
Energy: 0.5573283314795803
Energy: 0.5505735212192281
Energy: 0.561359607622532
Energy: 0.5662151720742833
Energy: 0.6046668458238285
Energy: 0.5662151720733759

minimum gb energy = 0.5129225361527314 eV
minimum distance =  2.53311451219712 Angstroms
sigma value = 7


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

Energy: 0.5251169759584609
Energy: 0.5251993618231349
Energy: 0.7136519223984321
Energy: 0.5251993618180022
Energy: 0.6862779684770011
Energy: 0.5899201260180664
Energy: 0.5470580394356117
Energy: 0.5899201260155001
Energy: 0.5418558424512318
Energy: 0.5252688250206924
Energy: 0.5586809331863537
Energy: 0.5252688250206924
Energy: 0.5973074057694554
Energy: 0.5611406226257145
Energy: 0.54609065784502
Energy: 0.5611406226314888
Energy: 0.5483430431408094
Energy: 0.5610256568888838
Energy: 0.5295311013661074
Energy: 0.5610256568895254
Energy: 0.5443103137344193
Energy: 0.5770984245898678
Energy: 0.647637440789649
Energy: 0.5770984245879431
Energy: 0.6112302200960703
Energy: 0.6294719636607483
Energy: 0.5666401951050322
Energy: 0.6294719636581821
Energy: 0.5427934713360077
Energy: 0.5776031436788752
Energy: 0.7053787970586938
Energy: 0.5776031436775919
Energy: 0.6171910851967887
Energy: 0.5508846247883256
Energy: 0.5459397087643045
Energy: 0.5508846247896086
Energy: 0.5517765295012137
Energy: 0.5437109167856972
Energy: 0.577558491341779
Energy: 0.5437109167876218
Energy: 0.568861741438623
Energy: 0.5928588377590356
Energy: 0.5695730272178413
Energy: 0.592858837758394
Energy: 0.5251930361646848
Energy: 0.5615472798321676
Energy: 0.564742293556642
Energy: 0.5615472798289596
Energy: 0.5248656745348049
Energy: 0.5256923329365335
Energy: 0.5978164375502426
Energy: 0.5256923329333256
Energy: 0.5583880936501753
Energy: 0.5217247048448227
Energy: 0.5508196340832341
Energy: 0.5217247048409732
Energy: 0.5439820030954107
Energy: 0.6080890857348827
Energy: 0.6133584849243687
Energy: 0.6080890857348827
Energy: 0.7109649936704376
Energy: 0.5211776337824338
Energy: 0.5467931191666575
Energy: 0.5211776337824338
Energy: 0.543579283990899
Energy: 0.5675165068778333
Energy: 0.6169604928020528
Energy: 0.5675165068797579
Energy: 0.5329624374201419
Energy: 0.5872606333433533
Energy: 0.5492706849062517
Energy: 0.5872606333401452
Energy: 0.54363934370531
Energy: 0.5768839800104918
Energy: 0.5498254839639471
Energy: 0.5768839800111334
Energy: 0.5432945173073379
Energy: 0.562400585605413
Energy: 0.5226078301390742
Energy: 0.5624005856047715
Energy: 0.5692372754514428
Energy: 0.5729715675752911
Energy: 0.5459210634631847
Energy: 0.5729715675733664
Energy: 0.541520692638659
Energy: 0.5253254211365893
Energy: 0.6018569234098533
Energy: 0.5253254211320981
Energy: 0.6579971901360687
Energy: 0.5511360545009533
Energy: 0.544455276732108
Energy: 0.5511360545009533
Energy: 0.5297250911344588
Energy: 0.5259090918194477
Energy: 0.6446678518879374
Energy: 0.525909091817523
Energy: 0.5452461991164993
Energy: 0.5620001725971545
Energy: 0.5411317963884935
Energy: 0.5620001725965129
Energy: 0.5706057397610017
Energy: 0.5900700675986315
Energy: 0.5663435323863957
Energy: 0.5900700675973483
Energy: 0.5535455693858568
Energy: 0.5628559782887366
Energy: 0.531425999861127
Energy: 0.562855978292586
Energy: 0.6006477635479043
Energy: 0.5585623258696024
Energy: 0.5462231396523616
Energy: 0.5585623258715272
Energy: 0.5423206098212091
Energy: 0.5774057777545532
Energy: 0.6032845260443853
Energy: 0.5774057777500621
Energy: 0.6519120988552122
Energy: 0.5640112133708852
Energy: 0.5560820417869526
Energy: 0.5640112133683481
Energy: 0.5423265526448865
Energy: 0.5775235494177221
Energy: 0.6583032129298894
Energy: 0.5775235494170806

minimum gb energy = 0.5211776337824338 eV
minimum distance =  2.51975831067989 Angstroms
sigma value = 29


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

Energy: 0.4893145754383269
Energy: 0.4903492249205303
Energy: 0.8327678070057127
Energy: 0.49034922492120075
Energy: 0.4663790901967467
Energy: 0.4903023268048711
Energy: 0.489461519127206
Energy: 0.49030232680464764
Energy: 0.503362749343755
Energy: 0.5042688400078101
Energy: 0.46665060941706477
Energy: 0.504268840008257
Energy: 0.4893315611135482
Energy: 0.4676699700370209
Energy: 0.4893693755682171
Energy: 0.4676699700363753
Energy: 0.4896140955291728
Energy: 0.4936296905676078
Energy: 0.5153618763492492
Energy: 0.4936296905676078
Energy: 0.4899533543884078
Energy: 0.5032808147125303
Energy: 0.49024607162121286
Energy: 0.5032808147121082
Energy: 0.4905322546881991
Energy: 0.4936233299891007
Energy: 0.4896218049643957
Energy: 0.4936233299891007
Energy: 0.48932008914676106
Energy: 0.4675433979258847
Energy: 0.48933225909271033
Energy: 0.4675433979258847
Energy: 0.4685407671710487
Energy: 0.5042949971776552
Energy: 0.46643419149917476
Energy: 0.5042949971774318

minimum gb energy = 0.4663790901967467 eV
minimum distance =  2.60277917383284 Angstroms
sigma value = 5


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

Energy: 0.49113761502279013
Energy: 0.4950858673162643
Energy: 0.6373538891650472
Energy: 0.4950858673162643
Energy: 0.5818144661095994
Energy: 0.5074785470715726
Energy: 0.5030621145815795
Energy: 0.5074785470721787
Energy: 0.48263197574352223
Energy: 0.4929223650510146
Energy: 0.622138603806583
Energy: 0.4929223650498025
Energy: 0.5036698707163665
Energy: 0.515725594050029
Energy: 0.48485727182793736
Energy: 0.515725594049423
Energy: 0.49295327954609364
Energy: 0.5179897818887338
Energy: 0.5954237726505662
Energy: 0.51798978188934
Energy: 0.5362541643993939
Energy: 0.4956387664614147
Energy: 0.48189329473506914
Energy: 0.4956387664614147
Energy: 0.47968759678143325
Energy: 0.5162344197486094
Energy: 0.47745817368091786
Energy: 0.5162344197492155
Energy: 0.4797450235584758
Energy: 0.5538226172731702
Energy: 0.4847146196477869
Energy: 0.5538226172737762
Energy: 0.4819338025977282
Energy: 0.5647183333791538
Energy: 0.48913189584541367
Energy: 0.5647183333797599
Energy: 0.4817940649081881
Energy: 0.5166378535570892
Energy: 0.48311597300365755
Energy: 0.5166378535576953
Energy: 0.5061748914021507
Energy: 0.5535024519804179
Energy: 0.4837715308141752
Energy: 0.5535024519792058
Energy: 0.5048902582539653
Energy: 0.48904638482238155
Energy: 0.49516950144241795
Energy: 0.48904638482238155
Energy: 0.5661050048380607
Energy: 0.4951125777714875
Energy: 0.49678613897715823
Energy: 0.4951125777702754
Energy: 0.4920127875270453
Energy: 0.4956855219428653
Energy: 0.5095816925135233
Energy: 0.4956855219428653
Energy: 0.6082982136767597
Energy: 0.516691956902758
Energy: 0.4837035903975485
Energy: 0.5166919569021521
Energy: 0.4820818972403489
Energy: 0.4931158511161128
Energy: 0.5398345644880086
Energy: 0.4931158511161128
Energy: 0.5726503628497298
Energy: 0.4894461028328078
Energy: 0.4911939513127275
Energy: 0.4894461028328078
Energy: 0.48503850274227267
Energy: 0.4951250223895645
Energy: 0.5872688716043488
Energy: 0.4951250223901706
Energy: 0.4986026517148391
Energy: 0.5177400836293984
Energy: 0.47972038168095565
Energy: 0.5177400836293984
Energy: 0.4918538250396458
Energy: 0.5922006065040384
Energy: 0.4867436146332264
Energy: 0.5922006065040384
Energy: 0.4905427367050744
Energy: 0.5145754127537845
Energy: 0.48225425982785713
Energy: 0.5145754127537845
Energy: 0.5077124842091456
Energy: 0.5164048181542519
Energy: 0.4819230209945137
Energy: 0.5164048181554639
Energy: 0.48616648858976863
Energy: 0.495524375792107
Energy: 0.4913916580402489
Energy: 0.495524375792107
Energy: 0.4949828194159742
Energy: 0.49811729487657963
Energy: 0.5039211886613016
Energy: 0.49811729487657963
Energy: 0.49495223288671325
Energy: 0.4922059892808161
Energy: 0.48727689371039584
Energy: 0.4922059892826343
Energy: 0.5076935636087536
Energy: 0.49570137285284444
Energy: 0.494372563372883
Energy: 0.4957013728522384
Energy: 0.4826095378377242
Energy: 0.47852504101568466
Energy: 0.5230794775341723
Energy: 0.47852504101507864
Energy: 0.5508371383780993
Energy: 0.516968650706921
Energy: 0.48209892264446813
Energy: 0.516968650706315
Energy: 0.4890017364258975
Energy: 0.5203151898825052
Energy: 0.6153538554193236
Energy: 0.5203151898831114
Energy: 0.5947816804974981
Energy: 0.49493541631545235
Energy: 0.48514697303344195
Energy: 0.49493541631545235
Energy: 0.48080171106186914
Energy: 0.48651757728874806
Energy: 0.5950603754409308
Energy: 0.4865175772899602
Energy: 0.5779501867697027
Energy: 0.5235389046904804
Energy: 0.4893510509247782
Energy: 0.5235389046892683
Energy: 0.4831521112505802
Energy: 0.5214481195602665
Energy: 0.4893212394024555
Energy: 0.5214481195596604

minimum gb energy = 0.47745817368091786 eV
minimum distance =  2.52069830530609 Angstroms
sigma value = 1


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

Energy: 0.470835763511287
Energy: 0.471384119252951
Energy: 0.5614174268746307
Energy: 0.47138411925211304
Energy: 0.5155961307685205
Energy: 0.5650311823047729
Energy: 0.468608676454952
Energy: 0.565031182303935
Energy: 0.45781952740419507
Energy: 0.47146756259970984
Energy: 0.6874127493287034
Energy: 0.47146756259887185
Energy: 0.5256690396751096
Energy: 0.5028625593652485
Energy: 0.45958608043234184
Energy: 0.5028625593669245
Energy: 0.46973391776307183
Energy: 0.47080313580446703
Energy: 0.6049158967871775
Energy: 0.4708031358036291
Energy: 0.46895030753761213
Energy: 0.5562878982222269
Energy: 0.4597892379698856
Energy: 0.5562878982213889
Energy: 0.4579287454266083
Energy: 0.5123903995066246
Energy: 0.5133663113091319
Energy: 0.5123903995049487
Energy: 0.45785281406950595
Energy: 0.5564004832476132
Energy: 0.5133324650440366
Energy: 0.5564004832459373
Energy: 0.4711168648787738
Energy: 0.47115285276852015
Energy: 0.48278642465408494
Energy: 0.47115285276600627
Energy: 0.47106296266275016
Energy: 0.47114296010526474
Energy: 0.4876084334375141
Energy: 0.4711429601061027
Energy: 0.45780511777013383
Energy: 0.5563863652970242
Energy: 0.4827020158381237
Energy: 0.5563863652970242
Energy: 0.45795334518341835
Energy: 0.5123840382478613
Energy: 0.5134335696329514
Energy: 0.5123840382486993
Energy: 0.4578676166819356
Energy: 0.5562458468588544
Energy: 0.4596476195663662
Energy: 0.5562458468588544
Energy: 0.469752488514145
Energy: 0.47081843005090174
Energy: 0.6060699479252534
Energy: 0.47081843005173973
Energy: 0.5266094257283815
Energy: 0.5028506218085398
Energy: 0.4595587858408869
Energy: 0.5028506218085398
Energy: 0.45781154213466313
Energy: 0.4715018826209481
Energy: 0.6373388684029953
Energy: 0.4715018826209481
Energy: 0.5154356134893924
Energy: 0.5650433018381485
Energy: 0.46857225174463824
Energy: 0.5650433018381485
Energy: 0.470835763511287
Energy: 0.471384119252951
Energy: 0.5803088948879813
Energy: 0.47138411925211304
Energy: 0.5155961307852609
Energy: 0.5650311823047729
Energy: 0.46860867645411414
Energy: 0.565031182303935
Energy: 0.45781952740419507
Energy: 0.47146756259970984
Energy: 0.6874127493287034
Energy: 0.47146756259887185
Energy: 0.525669039665054
Energy: 0.5028625593652485
Energy: 0.45958608043150384
Energy: 0.5028625593669245
Energy: 0.46973391776223383
Energy: 0.47080313580446703
Energy: 0.6049158967855014
Energy: 0.47080313580446703
Energy: 0.46895030753761213
Energy: 0.5562878982222269
Energy: 0.4597892379698856
Energy: 0.5562878982222269
Energy: 0.4579287454266083
Energy: 0.5123903995066246
Energy: 0.5063414888326451
Energy: 0.5123903995049487

minimum gb energy = 0.45780511777013383 eV
minimum distance =  2.54535308136979 Angstroms
sigma value = 17


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

Energy: 0.473333383262504
Energy: 0.4734857949742832
Energy: 0.7595220754938921
Energy: 0.4734857949742832
Energy: 0.5842941445567724
Energy: 0.4694461468214846
Energy: 0.4659590896474995
Energy: 0.4694461468214846
Energy: 0.46195482659202686
Energy: 0.4686076765844203
Energy: 0.6005962437581261
Energy: 0.46860767658493824
Energy: 0.5545653899535006
Energy: 0.5453523848707527
Energy: 0.461240531926908
Energy: 0.5453523848707527
Energy: 0.46422078161728136
Energy: 0.5017689921117697
Energy: 0.49589222463350063
Energy: 0.5017689921107338
Energy: 0.509853650795891
Energy: 0.551303296401902
Energy: 0.4667387303535176
Energy: 0.5513032964008662
Energy: 0.4765072915396459
Energy: 0.49365090253309757
Energy: 0.46860023758386554
Energy: 0.49365090253309757
Energy: 0.476047704181538
Energy: 0.5553179724801195
Energy: 0.46209220310138616
Energy: 0.5553179724806374
Energy: 0.4688793224329128
Energy: 0.5553033981179131
Energy: 0.4968669354364781
Energy: 0.5553033981168773
Energy: 0.46846534322893374
Energy: 0.5563392535600467
Energy: 0.46848589088318293
Energy: 0.5563392535584929
Energy: 0.4589365628788085
Energy: 0.547686867315642
Energy: 0.46751107890729077
Energy: 0.5476868673151241
Energy: 0.45888253534392465
Energy: 0.49062890890543887
Energy: 0.4577849058208608
Energy: 0.4906289089034142
Energy: 0.47776378289305843
Energy: 0.6236372128379217
Energy: 0.4643787714670384
Energy: 0.6236372128384396
Energy: 0.4772162227520112
Energy: 0.500728026393702
Energy: 0.47389562326275736
Energy: 0.5007280263921482
Energy: 0.4723882968095794
Energy: 0.5474651756768713
Energy: 0.47879662423584146
Energy: 0.5474651756763532
Energy: 0.46693375441879453
Energy: 0.5549315333229635
Energy: 0.4998528330271638
Energy: 0.5549315333245174
Energy: 0.4917461591365055
Energy: 0.5474868571381614
Energy: 0.464279219545411
Energy: 0.5474868571386793
Energy: 0.4584815085927778
Energy: 0.4737900148750116
Energy: 0.49330534232692097
Energy: 0.4737900148765654
Energy: 0.547997997965534
Energy: 0.492667949126746
Energy: 0.46437018394906837
Energy: 0.49266794912829975
Energy: 0.46406112302269115
Energy: 0.46863977361585973
Energy: 0.5980280921156128
Energy: 0.4686397736148239
Energy: 0.6618800353530337
Energy: 0.46557208282295015
Energy: 0.4738470399569792
Energy: 0.4655720828198426
Energy: 0.4733225862662019
Energy: 0.5264205923819314
Energy: 0.5899443579733287
Energy: 0.5264205923840031
Energy: 0.5361756365468786
Energy: 0.5503251478495441
Energy: 0.4651509627869189
Energy: 0.5503251478495441
Energy: 0.4645221800814986
Energy: 0.4945297620404937
Energy: 0.5484834333900713
Energy: 0.49452976203738613
Energy: 0.5092536062461093
Energy: 0.47383736628532974
Energy: 0.4596269562537531
Energy: 0.4738373662848119
Energy: 0.4659027572450687
Energy: 0.501064497322384
Energy: 0.4929193101979845
Energy: 0.501064497321866
Energy: 0.5426970170826131
Energy: 0.5504239334897599
Energy: 0.4680081543136159
Energy: 0.5504239334887242
Energy: 0.48124082832761567
Energy: 0.5480234891883129
Energy: 0.47334735788595517
Energy: 0.5480234891888307
Energy: 0.4737495568075742
Energy: 0.5005055334664488
Energy: 0.47386196579926976
Energy: 0.500505533464895
Energy: 0.4656196897390677
Energy: 0.6222898850696678
Energy: 0.5038558711078222
Energy: 0.6222898850701857
Energy: 0.45759796428950467
Energy: 0.49933396796235563
Energy: 0.4586598882193425
Energy: 0.49933396796235563
Energy: 0.4660014443308246
Energy: 0.5472371966443532
Energy: 0.46443700120989084
Energy: 0.5472371966448711
Energy: 0.46745641161252166
Energy: 0.5560928748564878
Energy: 0.5478743537093703
Energy: 0.5560928748564878
Energy: 0.49701027291440003
Energy: 0.5549701398617778
Energy: 0.4703758516929761
Energy: 0.5549701398622957
Energy: 0.4613645258929256
Energy: 0.4740839049699645
Energy: 0.4895731290058923
Energy: 0.4740839049699645
Energy: 0.4686883533606958
Energy: 0.4944428236256559
Energy: 0.4753189647660732
Energy: 0.49444282362617387
Energy: 0.4651430770535155
Energy: 0.5531371028324029
Energy: 0.49935041404888575
Energy: 0.5531371028324029
Energy: 0.4955517233782595
Energy: 0.5018950320367019
Energy: 0.4665874025956842
Energy: 0.5018950320372199

minimum gb energy = 0.45759796428950467 eV
minimum distance =  2.53327243263193 Angstroms
sigma value = 89


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

Energy: 0.4120182582968049
Energy: 0.4122220966520826
Energy: 0.7843472440910115
Energy: 0.4122220966520826
Energy: 0.412891334035931
Energy: 0.42617047434971406
Energy: 0.4234569674959136
Energy: 0.4261704743483589
Energy: 0.42183383749458697
Energy: 0.4879666551045426
Energy: 0.7490730439125757
Energy: 0.4879666551045426
Energy: 0.476417064633241
Energy: 0.4262902391405363
Energy: 0.42342844698753157
Energy: 0.4262902391405363
Energy: 0.4219840117381238
Energy: 0.45272805208518174
Energy: 0.4122046433113017
Energy: 0.45272805208518174
Energy: 0.42194196599071704
Energy: 0.41230547967982867
Energy: 0.4121941568576937
Energy: 0.41230547967982867
Energy: 0.42201307607031835
Energy: 0.4886739363346773
Energy: 0.41224592001146093
Energy: 0.4886739363333222
Energy: 0.43903828829403063
Energy: 0.4865378982476723
Energy: 0.42334609905705217
Energy: 0.48653789824631716
Energy: 0.4220048748294303
Energy: 0.45274179105416884
Energy: 0.4352584768469404
Energy: 0.45274179105416884
Energy: 0.42657154922416746
Energy: 0.45102020517980335
Energy: 0.42215465305519323
Energy: 0.45102020517980335
Energy: 0.41215232802348845
Energy: 0.42627397024048136
Energy: 0.42194350342961956
Energy: 0.42627397024048136
Energy: 0.4122281759892675
Energy: 0.48657323814197784
Energy: 0.4236780092043683
Energy: 0.48657323814197784
Energy: 0.4219443479464276
Energy: 0.4122359004640636
Energy: 0.4363194740511337
Energy: 0.4122359004627084
Energy: 0.422517685525981
Energy: 0.4510537724408127
Energy: 0.4222019317915929
Energy: 0.4510537724421678
Energy: 0.4389055203851632
Energy: 0.4122212093824908
Energy: 0.42195219841335185
Energy: 0.4122212093824908

minimum gb energy = 0.4120182582968049 eV
minimum distance =  2.56270875945528 Angstroms
sigma value = 13


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

Energy: 0.42313128909010383
Energy: 0.407890520837522
Energy: 0.7393620521577831
Energy: 0.407890520840362
Energy: 0.5425684836296821
Energy: 0.41733197359381713
Energy: 0.40796321527836393
Energy: 0.41733197359779317
Energy: 0.40826589323753215
Energy: 0.4082485582641066
Energy: 0.6532411873658586
Energy: 0.4082485582584266
Energy: 0.40918787820928254
Energy: 0.4175927599498651
Energy: 0.40538315174449124
Energy: 0.4175927599498651
Energy: 0.4128538829215863
Energy: 0.4382285568692951
Energy: 0.45387904564803677
Energy: 0.43822855686815915
Energy: 0.4089473289110711
Energy: 0.41815803785080413
Energy: 0.41468929509476354
Energy: 0.4181580378496681
Energy: 0.41260771633127147
Energy: 0.43633209940183976
Energy: 0.5198907991964963
Energy: 0.43633209940127177
Energy: 0.40858766619785775
Energy: 0.41842668604284755
Energy: 0.41481303151032806
Energy: 0.41842668603546357
Energy: 0.4129748754888558
Energy: 0.4360800121390486
Energy: 0.5393270073325694
Energy: 0.4360800121396166
Energy: 0.5036526476910664
Energy: 0.4457374523372272
Energy: 0.4052063827872531
Energy: 0.44573745233665923
Energy: 0.41224266645074004
Energy: 0.4458108868734984
Energy: 0.4093593413814509
Energy: 0.44581088687179443
Energy: 0.5793517017429167
Energy: 0.44583723565587263
Energy: 0.40979565993726685
Energy: 0.4458372356547366
Energy: 0.42979390465635015
Energy: 0.41505799100891233
Energy: 0.42668055175344755
Energy: 0.4150579909600901
Energy: 0.585978060717063
Energy: 0.44577840722986434
Energy: 0.40961489661647593
Energy: 0.44577840723497636
Energy: 0.4122635183060584
Energy: 0.4074169470847761
Energy: 0.413216711190815
Energy: 0.4074169470819361
Energy: 0.4087779115268713
Energy: 0.44573535342555576
Energy: 0.40416255335518525
Energy: 0.4457353534295317
Energy: 0.41619811191011497
Energy: 0.434136602342666
Energy: 0.40430174848617784
Energy: 0.43413660234720997
Energy: 0.4260253570667665
Energy: 0.434620731074053
Energy: 0.4132973752778075
Energy: 0.4346207310712131
Energy: 0.41647147560145337
Energy: 0.4145234865295917
Energy: 0.41319020708474513
Energy: 0.41452348653129567
Energy: 0.4164570619798788
Energy: 0.41466764233726006
Energy: 0.4133444597139444
Energy: 0.41466764233498804
Energy: 0.425933035847026
Energy: 0.43463925907142265
Energy: 0.41329271868233913
Energy: 0.43463925907823864
Energy: 0.41581936602826974
Energy: 0.43425334935486226
Energy: 0.404478636832278
Energy: 0.43425334935315824
Energy: 0.4089474132799928
Energy: 0.44579670678989913
Energy: 0.4043338939636293
Energy: 0.44579670678535516
Energy: 0.4117546582502843
Energy: 0.4073722818518784
Energy: 0.4139823366682996
Energy: 0.4073722818484704
Energy: 0.5861757853922773
Energy: 0.44584993082326607
Energy: 0.40978648261124745
Energy: 0.445849930819858
Energy: 0.429593456893656
Energy: 0.4151345348073841
Energy: 0.42776859009426477
Energy: 0.41513453480397616
Energy: 0.5792442551223439
Energy: 0.44585005140554795
Energy: 0.4100599069255679
Energy: 0.4458500514021399
Energy: 0.4123099844959979
Energy: 0.44580901051842464
Energy: 0.4104494615623364
Energy: 0.44580901052183264
Energy: 0.5034844042228238
Energy: 0.4458103850928217
Energy: 0.40517920402333696
Energy: 0.44581038509054977
Energy: 0.4130055135360765
Energy: 0.4359894731344134
Energy: 0.5780222264582828
Energy: 0.4359894731372534
Energy: 0.4084953079297454
Energy: 0.41833006498623027
Energy: 0.4148457688962015
Energy: 0.41833006499247827
Energy: 0.4129605807724138
Energy: 0.4361080762836439
Energy: 0.5958059973782878
Energy: 0.4361080762847799
Energy: 0.40844186742022137
Energy: 0.4180957464170632
Energy: 0.41479193264665487
Energy: 0.4180957464193352
Energy: 0.41209357993666085
Energy: 0.43821770663324994
Energy: 0.4499989343200133
Energy: 0.438217706636658
Energy: 0.40825538754229396
Energy: 0.41786047375325486
Energy: 0.40542570636385755
Energy: 0.41786047375834107

minimum gb energy = 0.40416255335518525 eV
minimum distance =  2.58151473856267 Angstroms
sigma value = 37


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

Energy: 0.45947336187227794
Energy: 0.40077196111732355
Energy: 0.4612217047029145
Energy: 0.40077196111830077
Energy: 0.5115131890141491
Energy: 0.5116071613108663
Energy: 0.3812944372490924
Energy: 0.511607161309889
Energy: 0.38498787502189247
Energy: 0.5284727643458931
Energy: 0.5227621897146347
Energy: 0.5284727643468703
Energy: 0.44012185895858746
Energy: 0.3849680427214435
Energy: 0.3798977780990789
Energy: 0.38496804272242074
Energy: 0.37964519490726
Energy: 0.38478675930588613
Energy: 0.45349150120755366
Energy: 0.38478675930686335
Energy: 0.38891591166654277
Energy: 0.5117341841530464
Energy: 0.4409834707217264
Energy: 0.5117341841520692
Energy: 0.386429137474623
Energy: 0.6487772525506837
Energy: 0.5899645820916034
Energy: 0.648777252551661
Energy: 0.37437309933594803
Energy: 0.3850792969335666
Energy: 0.3863232984582876
Energy: 0.3850792969335666
Energy: 0.38174400968380984
Energy: 0.5116952078848598
Energy: 0.5016942078977003
Energy: 0.5116952078848598
Energy: 0.5225333034117771
Energy: 0.5295137912791654
Energy: 0.44178116921123894
Energy: 0.5295137912791654
Energy: 0.3796522488469337
Energy: 0.548051987720736
Energy: 0.44028499081896905
Energy: 0.548051987720736
Energy: 0.5340543537344794
Energy: 0.384837401472552
Energy: 0.3802321799099149
Energy: 0.3848374014735293
Energy: 0.4401628560410237
Energy: 0.5118398775033349
Energy: 0.3761930076426362
Energy: 0.5118398775052894
Energy: 0.5900616571225662
Energy: 0.5309258673797249
Energy: 0.37426952601837593
Energy: 0.5309258673787477
Energy: 0.45974387154038515
Energy: 0.404596191999864
Energy: 0.3741717086833615
Energy: 0.404596191999864
Energy: 0.4598776667038212
Energy: 0.5118306591553692
Energy: 0.38125628508624543
Energy: 0.5118306591573236
Energy: 0.4401337365548892
Energy: 0.42692596214203477
Energy: 0.38826863259791927
Energy: 0.42692596214203477
Energy: 0.4400299935043469
Energy: 0.54808646620911
Energy: 0.3794632136150195
Energy: 0.5480864662071556
Energy: 0.3796904153041285
Energy: 0.3849020664352475
Energy: 0.379378495468922
Energy: 0.3849020664362247
Energy: 0.3797140635196153
Energy: 0.5119025583048641
Energy: 0.44021835733353804
Energy: 0.5119025583058413

minimum gb energy = 0.3741717086833615 eV
minimum distance =  2.54704385481489 Angstroms
sigma value = 25


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

Energy: 0.36841199207113295
Energy: 0.35217178735368543
Energy: 0.663410228214206
Energy: 0.35217178735368543
Energy: 0.49742069982293735
Energy: 0.5513134679330425
Energy: 0.3514872937430575
Energy: 0.5513134679322793
Energy: 0.3479664063645209
Energy: 0.34821023256722655
Energy: 0.4920571756483613
Energy: 0.34821023256798966
Energy: 0.39688635327525523
Energy: 0.35793917818473414
Energy: 0.35142682445479195
Energy: 0.35793917818473414
Energy: 0.35112076285103
Energy: 0.35933290186885936
Energy: 0.4051849395340614
Energy: 0.3593329018696224
Energy: 0.3421619187871733
Energy: 0.3581316646795823
Energy: 0.35145698368172607
Energy: 0.35813166468034546
Energy: 0.3528227010877808
Energy: 0.3483654009074564
Energy: 0.3978013932378854
Energy: 0.3483654009066932
Energy: 0.34504687971881004
Energy: 0.4683538836029246
Energy: 0.34909333658496455
Energy: 0.46835388360216146
Energy: 0.35172494025015755
Energy: 0.5499043881739024
Energy: 0.5345631207620982
Energy: 0.5499043881731392
Energy: 0.34494580985384976
Energy: 0.3513404304382262
Energy: 0.36957123539868364
Energy: 0.3513404304389893
Energy: 0.3528321291921755
Energy: 0.34922277409895114
Energy: 0.5462951629908626
Energy: 0.34922277409818797
Energy: 0.45910330585710424
Energy: 0.5711208512550511
Energy: 0.34914981024498176
Energy: 0.5711208512550511
Energy: 0.35143108070926105
Energy: 0.3579581320096492
Energy: 0.4437376823423143
Energy: 0.3579581320104123
Energy: 0.46528525553384736
Energy: 0.5506172032748519
Energy: 0.35144723155329916
Energy: 0.5506172032740889
Energy: 0.3529575340374378
Energy: 0.34910028041770436
Energy: 0.3417287245243676
Energy: 0.3491002804184674
Energy: 0.46272786847430153
Energy: 0.5705930519752884
Energy: 0.3521340084796465
Energy: 0.5705930519760516
Energy: 0.35149592057681517
Energy: 0.46833779475709797
Energy: 0.3444970214801801
Energy: 0.4683377947578611
Energy: 0.45240775597563887
Energy: 0.35803716280181364
Energy: 0.3512809619905648
Energy: 0.35803716280181364
Energy: 0.3714930978108193
Energy: 0.3483830289363911
Energy: 0.345039227212513
Energy: 0.3483830289363911
Energy: 0.5449500504814361
Energy: 0.5704278487074115
Energy: 0.3522986114396551
Energy: 0.5704278487074115
Energy: 0.351750501901073
Energy: 0.5716086851831129
Energy: 0.35225717056429123
Energy: 0.571608685184639
Energy: 0.34829549147562083
Energy: 0.35801602708720953
Energy: 0.35131473158776677
Energy: 0.35801602708720953
Energy: 0.35295998597250894
Energy: 0.46022620671939396
Energy: 0.46513663650939385
Energy: 0.46022620671939396
Energy: 0.3415725439831563
Energy: 0.5673900403456352
Energy: 0.3521911122869235
Energy: 0.5673900403456352
Energy: 0.3520979366315603
Energy: 0.5730890800821613
Energy: 0.46211054032821414
Energy: 0.5730890800813981
Energy: 0.34470769654978173
Energy: 0.3701151701233811
Energy: 0.3481855657704525
Energy: 0.3701151701233811

minimum gb energy = 0.3415725439831563 eV
minimum distance =  2.58530329367869 Angstroms
sigma value = 41


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

Energy: 0.48539764592815277
Energy: 0.33585304709548347
Energy: 0.720516088806861
Energy: 0.3358530470961092
Energy: 0.5235616605018963
Energy: 0.3281047741898183
Energy: 0.324990420566995
Energy: 0.32810477419169515
Energy: 0.33278756085426325
Energy: 0.324663708344677
Energy: 0.4442467480787913
Energy: 0.32466370834405145
Energy: 0.4470313652162384
Energy: 0.3277673882672722
Energy: 0.32489955610430077
Energy: 0.3277673882672722
Energy: 0.3217656350768837
Energy: 0.34231887272818917
Energy: 0.37002714916258045
Energy: 0.34231887272818917
Energy: 0.4004210725833243
Energy: 0.3276177647827656
Energy: 0.32478380847985355
Energy: 0.3276177647815428
Energy: 0.32423342063615634
Energy: 0.3273608531023295
Energy: 0.3646356404035261
Energy: 0.32736085310358076
Energy: 0.3190862392402812
Energy: 0.3348158271365346
Energy: 0.322499786151451
Energy: 0.3348158271365346
Energy: 0.32568607319372267
Energy: 0.5114821896950932
Energy: 0.49792449871075334
Energy: 0.5114821896944675
Energy: 0.3215967633353421
Energy: 0.32410149188870624
Energy: 0.3334715326050931
Energy: 0.32410149188870624
Energy: 0.32419264146128235
Energy: 0.32795351330304956
Energy: 0.556852683689761
Energy: 0.3279535133036751
Energy: 0.32128359699218817
Energy: 0.33541780150064004
Energy: 0.4860746718870401
Energy: 0.33541780150064004
Energy: 0.3265012292971101
Energy: 0.43771561785702273
Energy: 0.5977971015725486
Energy: 0.43771561785827395
Energy: 0.4137862595572203
Energy: 0.4465823182304857
Energy: 0.3334683417317632
Energy: 0.4465823182304857
Energy: 0.324137398341659
Energy: 0.32805174007295695
Energy: 0.47967943930819634
Energy: 0.3280517400723314
Energy: 0.4238196982747479
Energy: 0.5111794952434114
Energy: 0.3224843235823524
Energy: 0.511179495244037
Energy: 0.32667710223053376
Energy: 0.43566185187788525
Energy: 0.4501804985178329
Energy: 0.4356618518791365
Energy: 0.41960264335559083
Energy: 0.44669123140913536
Energy: 0.3249199679420878
Energy: 0.4466912314103866
Energy: 0.32422888652762427
Energy: 0.3346135599568191
Energy: 0.3190643252138129
Energy: 0.3346135599568191
Energy: 0.4152519529314966
Energy: 0.5112574739064907
Energy: 0.32663282268160904
Energy: 0.5112574739058651
Energy: 0.3350943170615323
Energy: 0.4352631771154317
Energy: 0.3215503916520895
Energy: 0.4352631771135549
Energy: 0.5571419618034256
Energy: 0.536193871787745
Energy: 0.32477571900548075
Energy: 0.5361938717883705
Energy: 0.487930695981631
Energy: 0.33503516063758104
Energy: 0.32128138982727916
Energy: 0.33503516063883226
Energy: 0.4867688194135552
Energy: 0.5114710165588918
Energy: 0.32646839723303145
Energy: 0.5114710165595174
Energy: 0.3353010028345835
Energy: 0.43552175666028237
Energy: 0.32390910627487585
Energy: 0.43552175666028237
Energy: 0.47999081481016376
Energy: 0.5324324954103391
Energy: 0.32470986813310526
Energy: 0.5324324954103391
Energy: 0.32417124727328855
Energy: 0.5117911991905988
Energy: 0.42373178115903987
Energy: 0.5117911991912244
Energy: 0.32222479338319476
Energy: 0.5111971837421752
Energy: 0.3267237846407474
Energy: 0.5111971837421752
Energy: 0.3264845644194033
Energy: 0.4354496341955316
Energy: 0.41970526990525225
Energy: 0.43544963419615723
Energy: 0.3189863757190522
Energy: 0.5305904765081317
Energy: 0.32654522551144555
Energy: 0.5305904765087572
Energy: 0.32480509778507044
Energy: 0.5114470448904442
Energy: 0.4149351475002876
Energy: 0.5114470448916953
Energy: 0.3222513084658978
Energy: 0.5120757260300247
Energy: 0.3376052257068978
Energy: 0.5120757260306503

minimum gb energy = 0.3189863757190522 eV
minimum distance =  2.49095337353932 Angstroms
sigma value = 15


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

Energy: 0.44481197262999583
Energy: 0.4810055817845933
Energy: 0.4417339270641264
Energy: 0.4810055817845933
Energy: 0.5222546059650166
Energy: 0.4655403618507925
Energy: 0.3097730692079544
Energy: 0.4655403618507925
Energy: 0.3191315691204172
Energy: 0.30934661119569024
Energy: 0.4103322598939031
Energy: 0.30934661119569024
Energy: 0.49982094123708315
Energy: 0.39914148315544734
Energy: 0.3097645422090376
Energy: 0.39914148315650727
Energy: 0.3076941330980712
Energy: 0.4827122439537762
Energy: 0.3424220668137361
Energy: 0.48271224395324625
Energy: 0.49971965831832066
Energy: 0.39900074015308196
Energy: 0.30975923149961315
Energy: 0.399000740152022
Energy: 0.3092868664366829
Energy: 0.31374187467148246
Energy: 0.3382266164443456
Energy: 0.3137418746725424
Energy: 0.36843857681995773
Energy: 0.31363971286002607
Energy: 0.30979516817585523
Energy: 0.31363971285949604
Energy: 0.3108615092537033
Energy: 0.48203036607519906
Energy: 0.45312592515105193
Energy: 0.48203036607519906
Energy: 0.3002117118604909
Energy: 0.4663830049277985
Energy: 0.3081455806090272
Energy: 0.4663830049267385
Energy: 0.3092583983440976
Energy: 0.46621598584233687
Energy: 0.5133344353692328
Energy: 0.4662159858418069
Energy: 0.30186442687862297
Energy: 0.30927693339085144
Energy: 0.3195281034948379
Energy: 0.30927693339085144
Energy: 0.311126552081906
Energy: 0.48525392261411815
Energy: 0.5686917964480926
Energy: 0.4852539226151781
Energy: 0.30156463027374364
Energy: 0.480588206907109
Energy: 0.4452001018206139
Energy: 0.48058820690657905
Energy: 0.30928030547548035
Energy: 0.46556057211120994
Energy: 0.5646346386133931
Energy: 0.46556057211120994
Energy: 0.3784536892283259
Energy: 0.30915216254542643
Energy: 0.31942875152005046
Energy: 0.30915216254489647
Energy: 0.3109313374773306
Energy: 0.4849585814890791
Energy: 0.5002485755501068
Energy: 0.484958581490669
Energy: 0.3911586761669605
Energy: 0.48321838399032674
Energy: 0.3080981700516368
Energy: 0.4832183839897967
Energy: 0.3093195548907971
Energy: 0.46539790222402017
Energy: 0.4339809924077771
Energy: 0.46539790222402017
Energy: 0.3879165845351797
Energy: 0.46630718188291503
Energy: 0.30981881065004685
Energy: 0.466307181883445
Energy: 0.31106918307297077
Energy: 0.4767336339905495
Energy: 0.3693267517213235
Energy: 0.4767336339900195
Energy: 0.38125944980984044
Energy: 0.4857967452147104
Energy: 0.31268706208944946
Energy: 0.4857967452141804
Energy: 0.30923945287462756
Energy: 0.4652875733999171
Energy: 0.30004933212457363
Energy: 0.4652875733988571
Energy: 0.5173116066195296
Energy: 0.46534510345217944
Energy: 0.30976846734117697
Energy: 0.46534510345217944
Energy: 0.3207085888957546
Energy: 0.47781573185039833
Energy: 0.30337451916944014
Energy: 0.47781573185039833
Energy: 0.5041663226174794
Energy: 0.4853675848688883
Energy: 0.31279615962006196
Energy: 0.4853675848694183
Energy: 0.4463640370843444
Energy: 0.47860355551156586
Energy: 0.3016623842385309
Energy: 0.47860355551156586
Energy: 0.5628621548774102
Energy: 0.4655066744483366
Energy: 0.3096796018474797
Energy: 0.4655066744483366
Energy: 0.32075762973592786
Energy: 0.4957215905525588
Energy: 0.30464397466806115
Energy: 0.4957215905525588
Energy: 0.43711870908386524
Energy: 0.4848592616408495
Energy: 0.31281690920565536
Energy: 0.48485926163925963
Energy: 0.3093704364827691
Energy: 0.4829104644238277
Energy: 0.3906479044647697
Energy: 0.48291046442329766
Energy: 0.43366745426667325
Energy: 0.4659836783363295
Energy: 0.3098051940584345
Energy: 0.4659836783363295
Energy: 0.3109312879064771
Energy: 0.49556435147934347
Energy: 0.3881035856885955
Energy: 0.4955643514804033
Energy: 0.3016003377761546
Energy: 0.47741563106607154
Energy: 0.31285361478156504
Energy: 0.4774156310644816
Energy: 0.3043524830932675
Energy: 0.4828948515713697
Energy: 0.38133196473076153
Energy: 0.48289485157189965
Energy: 0.30042321044754006
Energy: 0.46595014111749816
Energy: 0.3111538641606648
Energy: 0.46595014111749816
Energy: 0.310885796615127
Energy: 0.4956304500800229
Energy: 0.5167353454025401
Energy: 0.49563045008161283

minimum gb energy = 0.30004933212457363 eV
minimum distance =  2.56531816688798 Angstroms
sigma value = 85


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

Energy: 0.4486609090723159
Energy: 0.45990592904349037
Energy: 0.4079526414780004
Energy: 0.45990592904440963
Energy: 0.5528254371384219
Energy: 0.4338980279563406
Energy: 0.28397891810986226
Energy: 0.4338980279581791
Energy: 0.43202150070390277
Energy: 0.42852757294061644
Energy: 0.3408259249566782
Energy: 0.4285275729415357
Energy: 0.5272287173720528
Energy: 0.430770842116659
Energy: 0.2839846492179085
Energy: 0.4307708421157397
Energy: 0.32606445886727226
Energy: 0.3295108360048291
Energy: 0.3423945899584324
Energy: 0.3295108360066677
Energy: 0.47287873613578907
Energy: 0.4281926424452224
Energy: 0.28401162329912305
Energy: 0.42819264244338384
Energy: 0.31172207023859877
Energy: 0.42308984740322636
Energy: 0.3655110355960293
Energy: 0.4230898474013877
Energy: 0.4767402674457533
Energy: 0.4301549463708324
Energy: 0.2874931804599481
Energy: 0.4301549463694534
Energy: 0.2868647433905305
Energy: 0.2885405958790806
Energy: 0.4683193715890585
Energy: 0.2885405958790806
Energy: 0.35804485742518216
Energy: 0.41990121057200425
Energy: 0.31220038992456023
Energy: 0.4199012105701656
Energy: 0.28448441615110737
Energy: 0.43166754481439235
Energy: 0.48706105515524667
Energy: 0.43166754481347297
Energy: 0.30185920697805585
Energy: 0.44255796114079665
Energy: 0.3264523517269003
Energy: 0.4425579611384984
Energy: 0.28360127646229466
Energy: 0.2887146125577535
Energy: 0.5416455416104732
Energy: 0.28871461255637454
Energy: 0.27612172718344613
Energy: 0.4283797966140904
Energy: 0.4324914486051509
Energy: 0.42837979661500974
Energy: 0.2842887694392573
Energy: 0.43105353814700864
Energy: 0.5870751002222044
Energy: 0.4310535381460894
Energy: 0.2741642615928031
Energy: 0.449706326286308
Energy: 0.4172392977569041
Energy: 0.44970632628722723
Energy: 0.2836087431137743
Energy: 0.2905359782869496
Energy: 0.5573596297877733
Energy: 0.29053597828465144
Energy: 0.3406193320393963
Energy: 0.4283844170274654
Energy: 0.43247490084143364
Energy: 0.42838441702838465
Energy: 0.2848263536793982
Energy: 0.43079633053888333
Energy: 0.5296183032736189
Energy: 0.43079633053888333
Energy: 0.3527091610479461
Energy: 0.4575258812776368
Energy: 0.3264602307602092
Energy: 0.45752588127671756
Energy: 0.28445304767565954
Energy: 0.3825836700194859
Energy: 0.47295981302486734
Energy: 0.38258367001764726
Energy: 0.3785704481867932
Energy: 0.43121937661005316
Energy: 0.3121583652173359
Energy: 0.4312193766091547
Energy: 0.28766278639045956
Energy: 0.4301915757327175
Energy: 0.41767774499103527
Energy: 0.4301915757317982
Energy: 0.37485028776758994
Energy: 0.4549188435888709
Energy: 0.28748016942790294
Energy: 0.45491884359070944
Energy: 0.31341832721473545
Energy: 0.38691223189471685
Energy: 0.357918500065781
Energy: 0.3869122318969942
Energy: 0.4871379859682856
Energy: 0.4314911056470102
Energy: 0.2839541823701081
Energy: 0.4314911056479295
Energy: 0.32764567548930923
Energy: 0.44269952149469394
Energy: 0.30208579540754354
Energy: 0.4426995214937746
Energy: 0.4919701196640537
Energy: 0.4560788313685506
Energy: 0.2839952492946391
Energy: 0.45607883136809096
Energy: 0.43381823966785715
Energy: 0.4291422462371643
Energy: 0.27691450377765636
Energy: 0.4291422462367046
Energy: 0.5876648193154398
Energy: 0.4310525189160511
Energy: 0.2838748759899417
Energy: 0.4310525189160511
Energy: 0.4502857899143842
Energy: 0.45992015670824526
Energy: 0.2741152721550559
Energy: 0.4599201567077856
Energy: 0.5371642229537751
Energy: 0.45809729892890944
Energy: 0.28397900622514755
Energy: 0.45809729892844975
Energy: 0.43379836677102174
Energy: 0.42861457358565014
Energy: 0.27708971301787794
Energy: 0.4286145735842712
Energy: 0.5292443236576451
Energy: 0.43098864397813336
Energy: 0.28379641572609254
Energy: 0.430988643978593
Energy: 0.32768374018593605
Energy: 0.4579212031332202
Energy: 0.35247908347868034
Energy: 0.45792120313413953
Energy: 0.42320056336851236
Energy: 0.45256088665778493
Energy: 0.2854108347660342
Energy: 0.45256088665870425
Energy: 0.31345741299568164
Energy: 0.43138639263475637
Energy: 0.3786523997424488
Energy: 0.4313863926310792
Energy: 0.41796353075813203
Energy: 0.4303261834036023
Energy: 0.2867656408281948
Energy: 0.4303261834045216
Energy: 0.28749619993951403
Energy: 0.4583767509391751
Energy: 0.3749794823829754
Energy: 0.4583767509400945
Energy: 0.304289547161805
Energy: 0.44909233916713187
Energy: 0.3119531001792099
Energy: 0.4490923391662126
Energy: 0.2837085993817559
Energy: 0.4313671587710535
Energy: 0.4870828268652141
Energy: 0.4313671587710535
Energy: 0.30189667805383685
Energy: 0.4381492626995911
Energy: 0.3263256365647929
Energy: 0.43814926270005067
Energy: 0.2839896833014005
Energy: 0.45765359775100484
Energy: 0.49222332464865315
Energy: 0.4576535977501064

minimum gb energy = 0.2741152721550559 eV
minimum distance =  2.56460995500881 Angstroms
sigma value = 113


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

Energy: 0.011494437193342021
Energy: 0.012080645653102141
Energy: 0.5894936620824678
Energy: 0.012080645652768417
Energy: 0.5990372249440042
Energy: 0.175373653850633
Energy: 0.1746884489632915
Energy: 0.1753736538509864
Energy: 0.011494437193342021
Energy: 0.012080645653102141
Energy: 0.5894936620959345
Energy: 0.012080645652415066
Energy: 0.5990372249440042
Energy: 0.175373653850633
Energy: 0.17468844896362526
Energy: 0.17537365385133974
Energy: 0.011494437193342021
Energy: 0.012080645652768417
Energy: 0.5894936620956007
Energy: 0.012080645652768417
Energy: 0.5990372249450445
Energy: 0.175373653850633
Energy: 0.17468844896293817
Energy: 0.17537365385167344

minimum gb energy = 0.011494437193342021 eV
minimum distance =  2.83799309400565 Angstroms
sigma value = 1