Model name: model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.071862576852536e-19, 1.5714837362224619e-19, 1.95896534862546e-19, 2.2773659111002796e-19, 2.54677191210738e-19, 2.77863891457986e-19, 2.9803849963331397e-19, 3.1571211008296797e-19, 3.31256427786036e-19, 3.4495664018336996e-19, 3.5703544982709598e-19, 3.67670698323588e-19, 3.7700818374653996e-19, 3.8516967152013603e-19, 3.92256098772318e-19, 3.98355585217956e-19, 4.03545035335482e-19, 4.07888536190256e-19, 4.1144376614110196e-19, 4.1426199484030796e-19, 4.1638968541025997e-19, 4.1786529009017397e-19, 4.18727261119266e-19, 4.1900924420684997e-19, 4.18708034999658e-19, 4.1773551378281996e-19, 4.15971517308786e-19, 4.1327986056366594e-19, 4.0949071282425596e-19, 4.0440700636457393e-19, 3.9778681251288596e-19, 3.8934173947507193e-19, 3.78724114921554e-19, 3.65499748984518e-19, 3.4914793425791397e-19, 3.2901177832180198e-19, 3.04280579799378e-19, 2.7393214999815e-19, 2.36662317138042e-19, 1.90808021872962e-19, 1.3420007725813738e-19, 6.39951004212084e-20, -2.36069511783462e-20, -1.337503462769736e-19, -2.7355884284242795e-19, -4.53202897929678e-19, -6.876125547203159e-19, -9.99187844734296e-19, -1.420118098725312e-18, -1.99530271468458e-18, -2.82090433418478e-18, -4.0761135963257396e-18, -6.0606176404971594e-18, -9.25542193575852e-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: -0.0307342631051472 eV

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

Energy: 0.00996578439087913
Energy: 0.01045990812165385
Energy: 0.3209301421856913
Energy: 0.31586656827307885
Energy: 0.3165450198237472
Energy: 0.15664896699480993
Energy: 0.01046675140463673
Energy: 0.010379867520789171
Energy: 0.3887260862950944
Energy: 0.1260807435223647
Energy: 0.41175934806923914
Energy: 0.31982620571915754
Energy: 0.010513592816553459
Energy: 0.0631603977486024
Energy: 0.010233775171909985
Energy: 0.3158638359239873
Energy: 0.41143788985829943
Energy: 0.41071782806569346
Energy: 0.3202728413134027
Energy: 0.06302277431094563
Energy: 0.06438262859911627
Energy: 0.011479503442445
Energy: 0.32356089341033084
Energy: 0.4098696779632031
Energy: 0.31554333208021845
Energy: 0.3166875222482585
Energy: 0.06303671408174921
Energy: 0.010351355252987061
Energy: 0.156029868398935
Energy: 0.38978021029829113
Energy: 0.12605850588503276
Energy: 0.32059680505189475
Energy: 0.32105551584547276
Energy: 0.01050014973823699
Energy: 0.06305084312658353
Energy: 0.01015246783440823
Energy: 0.38945442146140424
Energy: 0.4113881556928166
Energy: 0.41048602025230707
Energy: 0.31875454021971167
Energy: 0.0631974265270307
Energy: 0.06422064210848326

minimum gb energy = 0.00996578439087913 eV
minimum distance =  2.82056533131616 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.5342646442976499
Energy: 0.6043078271752791
Energy: 0.5355753527678813
Energy: 0.5158646043657954
Energy: 0.49933896512231485
Energy: 0.48042494008687436
Energy: 0.6033141585670598
Energy: 0.45861416051866083
Energy: 0.4519828005988467
Energy: 0.4528365321130339
Energy: 0.45659266279134847
Energy: 0.464753024615947
Energy: 0.4856430275897578
Energy: 0.4521195900262601
Energy: 0.5862567084284307
Energy: 0.5143427628184883
Energy: 0.4797448983343074
Energy: 0.5384252160140734
Energy: 0.5439765183754465
Energy: 0.5140929789012287
Energy: 0.5263145722368909
Energy: 0.4541437348046676
Energy: 0.4958781445454607
Energy: 0.473856726456604
Energy: 0.45106284550573145
Energy: 0.47675771099772696
Energy: 0.4751936744704482
Energy: 0.46139718058638124
Energy: 0.4678444323173228
Energy: 0.5214230777848056
Energy: 0.4664880285515025
Energy: 0.4817500254892973
Energy: 0.4977848214698444
Energy: 0.4822174635817991
Energy: 0.4946862642852238
Energy: 0.4581272229681846
Energy: 0.5071926988510742
Energy: 0.45772547313455486
Energy: 0.4612589614590754
Energy: 0.46342576975251715
Energy: 0.4715107798622403
Energy: 0.527348532003464
Energy: 0.4792901726771125
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Energy: 0.4657907865019398
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Energy: 0.45679633732840363
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Energy: 0.568709392591909
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Energy: 0.5010250280227626
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Energy: 0.5254617645988758
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Energy: 0.4765323243640132
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Energy: 0.45243882303664124
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Energy: 0.48974614068672495
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Energy: 0.48021496374321393
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Energy: 0.5397180769285744
Energy: 0.5334304742780105
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Energy: 0.49459635896450216
Energy: 0.5234565737437027
Energy: 0.4895150107149153
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Energy: 0.5150061441983953
Energy: 0.5258158103498647
Energy: 0.5740792640722886
Energy: 0.4486458744647579
Energy: 0.517293223037191
Energy: 0.5301299690616181
Energy: 0.48552044620257884
Energy: 0.5402136071332958
Energy: 0.5724474995399527
Energy: 0.5294756997800034
Energy: 0.48847627320466275
Energy: 0.5417108858037859
Energy: 0.46098456439559066
Energy: 0.45938029960505333
Energy: 0.48164520404387345
Energy: 0.4642482757167751
Energy: 0.4994563385613974
Energy: 0.5089107256894964
Energy: 0.5274642771021347
Energy: 0.5484238594987528
Energy: 0.46578399540151905
Energy: 0.5162167611152514
Energy: 0.5484449044781612
Energy: 0.5431697270530624
Energy: 0.4689326238151028
Energy: 0.49562241919800604
Energy: 0.46145589684752614
Energy: 0.4636721654615275
Energy: 0.49667857855756836
Energy: 0.47937025170936887
Energy: 0.49272815717436874
Energy: 0.5555585714496118
Energy: 0.530267099365122
Energy: 0.5158026103290777
Energy: 0.485253657559009
Energy: 0.4682644451948755
Energy: 0.5414674895633246
Energy: 0.47905364779618753
Energy: 0.4642737347345282
Energy: 0.5003724237105425
Energy: 0.5048933440747608
Energy: 0.5128771028769864
Energy: 0.4540600119415162
Energy: 0.4767169563849218
Energy: 0.5402676834859157
Energy: 0.4636082547155878
Energy: 0.5419218149971065
Energy: 0.4987264642193896
Energy: 0.49581754809214024
Energy: 0.48458436916011716
Energy: 0.4723900250232238
Energy: 0.4987436205048171

minimum gb energy = 0.4486458744647579 eV
minimum distance =  2.55914578552415 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.5030592740181972
Energy: 0.4712819379110237
Energy: 0.5083575770026081
Energy: 0.4605818721630844
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Energy: 0.4984814328244413
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Energy: 0.4616145060201123
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Energy: 0.5235254022326343
Energy: 0.47871559858652396
Energy: 0.48206244663927966
Energy: 0.4707665558597902
Energy: 0.4823558801057945
Energy: 0.4796362499763897
Energy: 0.4677778549158873
Energy: 0.531399195271842
Energy: 0.5068087304634623
Energy: 0.4750488183235813
Energy: 0.47058007368688903
Energy: 0.4748521224263488
Energy: 0.46444239951424243
Energy: 0.4611268949062275
Energy: 0.5162117361576677
Energy: 0.5344292846116162
Energy: 0.4874146696936381
Energy: 0.5281971251676054
Energy: 0.4697575356709292
Energy: 0.5149534993267785
Energy: 0.5724682153777803
Energy: 0.5655581910564672
Energy: 0.4779598939233082
Energy: 0.5020641424228534
Energy: 0.4880279583197695
Energy: 0.5440316128233151
Energy: 0.4655796045562709
Energy: 0.5023958557499215
Energy: 0.4728351659753345
Energy: 0.46808132241488964
Energy: 0.4694487780231842
Energy: 0.4620065266425497
Energy: 0.4577023718435866
Energy: 0.458820757069833
Energy: 0.4538442877572105
Energy: 0.4642105644131713
Energy: 0.46159875139110185
Energy: 0.46875850814426345
Energy: 0.5044766119165635
Energy: 0.5046777433278931
Energy: 0.4558378615524875
Energy: 0.48552201384857413
Energy: 0.4604056211768623
Energy: 0.4623275448571051
Energy: 0.46585398735888545
Energy: 0.5406588592284677
Energy: 0.49570839686234214
Energy: 0.5148984173887378
Energy: 0.47483918294767524
Energy: 0.46282347988956085
Energy: 0.4643472628709703
Energy: 0.4677766791921978
Energy: 0.48911260880686364
Energy: 0.455980400691868
Energy: 0.4795261485276814
Energy: 0.49410126784838954
Energy: 0.513708828873533
Energy: 0.5465213062425412
Energy: 0.4959266394484316
Energy: 0.5262718682385461
Energy: 0.48535685227031256
Energy: 0.5107121663298917
Energy: 0.4823247295068413
Energy: 0.4655594337523471
Energy: 0.46718972133988834
Energy: 0.45896781782862306
Energy: 0.4806869841609992
Energy: 0.4584016046600251
Energy: 0.49104912740428797
Energy: 0.4753039406194925
Energy: 0.5424450703768353
Energy: 0.4879241066658233
Energy: 0.4789359364128824
Energy: 0.5006207995706171
Energy: 0.48525882162925044
Energy: 0.47526028908092754
Energy: 0.4620131942670379
Energy: 0.5625935289808366
Energy: 0.477750251299626
Energy: 0.46125078473793296
Energy: 0.4655806194349012
Energy: 0.47629296199352844
Energy: 0.46453599255208833
Energy: 0.4610272751117433
Energy: 0.5571449469994516
Energy: 0.5375312817582438
Energy: 0.459637905233494
Energy: 0.5108404694010598
Energy: 0.4800111350379062
Energy: 0.5094547283520854
Energy: 0.4782021330140238
Energy: 0.5419219857200783
Energy: 0.4781667174958323
Energy: 0.5145789370207177
Energy: 0.4876326030764028
Energy: 0.5333231680429525
Energy: 0.5059119606084322
Energy: 0.5287181274707291
Energy: 0.4801452578477501
Energy: 0.4704015102573752
Energy: 0.49676854334223275
Energy: 0.48896671837681144
Energy: 0.494346985960162
Energy: 0.5200423114824586
Energy: 0.4939273498258611
Energy: 0.47661463258785947
Energy: 0.46142775982537076
Energy: 0.46109529471795235
Energy: 0.5359381389791346
Energy: 0.5109005717880324
Energy: 0.47090250849853343
Energy: 0.4766342435215143
Energy: 0.4651669904604734

minimum gb energy = 0.4538442877572105 eV
minimum distance =  2.5480115443478 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.5030972610303787
Energy: 0.5523454190471669
Energy: 0.48245419521706434
Energy: 0.511252168203494
Energy: 0.4950943127312455
Energy: 0.4697362073862947
Energy: 0.485403180709361
Energy: 0.47103539783451037
Energy: 0.48099882793691234
Energy: 0.49203888500437576
Energy: 0.5109651831988471
Energy: 0.44714381268231196
Energy: 0.4751434339852457
Energy: 0.5440011325529168
Energy: 0.4770423684586203
Energy: 0.49641799194762776
Energy: 0.5118320692053213
Energy: 0.46573410225102635
Energy: 0.46403271619677655
Energy: 0.46530952633905737
Energy: 0.5155925186876462
Energy: 0.45856666845135935
Energy: 0.5362000083491419
Energy: 0.4611243096161073
Energy: 0.47113143115235984
Energy: 0.5125243082307184
Energy: 0.4733048031076887
Energy: 0.5327428199519659
Energy: 0.4701306298814063
Energy: 0.4859385009788369
Energy: 0.49038672869759536
Energy: 0.5259810845898555
Energy: 0.5054182353221608
Energy: 0.4958093894631528
Energy: 0.5343935136802904
Energy: 0.4646200519205282
Energy: 0.5030722833304688
Energy: 0.4789034142062315
Energy: 0.460021219898086
Energy: 0.4758611777858153
Energy: 0.4755646521081831
Energy: 0.4936268262075718
Energy: 0.512183879016164
Energy: 0.5074621207341921
Energy: 0.4865723976625027
Energy: 0.5436156067530213
Energy: 0.4673852078696472
Energy: 0.4685839994158484
Energy: 0.4995528823119982
Energy: 0.46726670810901677
Energy: 0.5142995422339584
Energy: 0.4915522141372003
Energy: 0.4968029234067049
Energy: 0.47314160772815517
Energy: 0.4884585820422775
Energy: 0.479024716184443
Energy: 0.4865031741679436
Energy: 0.4722262894329592
Energy: 0.5079188060115349
Energy: 0.46184395188390814
Energy: 0.48953829325900433
Energy: 0.4594458311512203
Energy: 0.4889426007639371
Energy: 0.48429240913307336
Energy: 0.5260542191493303
Energy: 0.4861891515809318
Energy: 0.4938451503785952
Energy: 0.512033024636303
Energy: 0.46572707686841736
Energy: 0.5294852582136416
Energy: 0.48818044663426335
Energy: 0.4832509488124098
Energy: 0.5103894721556781
Energy: 0.5375973776149622
Energy: 0.509368192337356
Energy: 0.4710037804723476
Energy: 0.48272252450218534
Energy: 0.4673856800947552
Energy: 0.479680077465404
Energy: 0.4775125646723221
Energy: 0.46018086080874493
Energy: 0.47585745276721336
Energy: 0.4831737296195715
Energy: 0.47452084298973396
Energy: 0.49817584680773414
Energy: 0.5200457766854943
Energy: 0.49243272619189177
Energy: 0.506864417443732
Energy: 0.5120788576463008
Energy: 0.46573179554068467
Energy: 0.49087090144011075
Energy: 0.49694907435651453
Energy: 0.5199684961757481
Energy: 0.4764640859686385
Energy: 0.4868248642965477
Energy: 0.4701698729634224
Energy: 0.5201828180882829
Energy: 0.4812655468531865
Energy: 0.4938067231306661
Energy: 0.4855909565455855
Energy: 0.45783236445984216
Energy: 0.4554315738660627
Energy: 0.47652941661108794
Energy: 0.4881940923910925
Energy: 0.5223861250800367
Energy: 0.4670252025717124
Energy: 0.5525027911892478
Energy: 0.4645838755901617
Energy: 0.49137558923284486
Energy: 0.5219332730379714
Energy: 0.4735894780092224
Energy: 0.5080714967855912
Energy: 0.4863779109942963
Energy: 0.5051769544023543
Energy: 0.5260259467588743
Energy: 0.48472417276352153
Energy: 0.5060966632474133
Energy: 0.46796435672261705
Energy: 0.5019774538978216
Energy: 0.45502094018544836
Energy: 0.5066353237810605
Energy: 0.4799763575619658
Energy: 0.4999243625314041
Energy: 0.47359722534108784
Energy: 0.47453026211402416
Energy: 0.49231255454672057
Energy: 0.47556374078867125
Energy: 0.4968804355901219
Energy: 0.5058503710335782
Energy: 0.489780651826704
Energy: 0.5524458054932793
Energy: 0.5346567205551961
Energy: 0.4620956200402391
Energy: 0.5164696596313861
Energy: 0.5189122375195736
Energy: 0.4568211895730366
Energy: 0.5079273792986889
Energy: 0.4660995962097963
Energy: 0.508063875798809
Energy: 0.5775710042123358
Energy: 0.4709523750908091
Energy: 0.47214755422074245
Energy: 0.47227681579905584
Energy: 0.5125597877905576
Energy: 0.529802673537543
Energy: 0.4852117633537964
Energy: 0.48323100721507356
Energy: 0.4641960065874532
Energy: 0.5096334224438281
Energy: 0.46869588188148836
Energy: 0.49207487898897917
Energy: 0.5177893215973328
Energy: 0.4638491626181642
Energy: 0.4796961031489984
Energy: 0.4938267050364706
Energy: 0.5264062512300188
Energy: 0.49139535042181104
Energy: 0.528439475243237
Energy: 0.504034551051233
Energy: 0.5333453733639877
Energy: 0.49196514894773763
Energy: 0.5133445571027753
Energy: 0.512169473643781
Energy: 0.4724295204921255
Energy: 0.487973349702729
Energy: 0.4688054490663729
Energy: 0.46474545555357416
Energy: 0.5245880077913021
Energy: 0.47445210629328227
Energy: 0.4971217901026813
Energy: 0.49235874049967826
Energy: 0.472037785863716
Energy: 0.4787929158041252
Energy: 0.4830567995071198
Energy: 0.4865907080393528
Energy: 0.49527522519165074
Energy: 0.5003700147628334
Energy: 0.4965800860141183
Energy: 0.5259954674511862
Energy: 0.49177708632687817
Energy: 0.4988601974897144
Energy: 0.49928408296580673
Energy: 0.4836567342797036
Energy: 0.5223579931263695
Energy: 0.47076550647398907
Energy: 0.49620148723719626
Energy: 0.5150233869385915
Energy: 0.4812706705418985
Energy: 0.4928661672327001
Energy: 0.4836529651796956
Energy: 0.5168421184113238
Energy: 0.4841465176551953
Energy: 0.4901625531148526
Energy: 0.4818578591454753
Energy: 0.4674210789242256
Energy: 0.49667776301804406
Energy: 0.492503179119716
Energy: 0.48033645613665604
Energy: 0.4886096246560846
Energy: 0.5317560970951295
Energy: 0.491334704902889
Energy: 0.5532482971642125
Energy: 0.5222626172772553
Energy: 0.4819647047914298
Energy: 0.5590916771362314
Energy: 0.4839265148864313
Energy: 0.5292710825807406
Energy: 0.48898080708133496
Energy: 0.4830203211648095
Energy: 0.543796503370589
Energy: 0.5257745912057072
Energy: 0.49305298356009314
Energy: 0.5029800241709422
Energy: 0.47087149423462105
Energy: 0.5418214671001464
Energy: 0.4664922704806845
Energy: 0.5144001355030783
Energy: 0.48387928672775754
Energy: 0.5025212586062517
Energy: 0.49466238760934933
Energy: 0.512037412829458
Energy: 0.46878872807217237
Energy: 0.5163293419202857
Energy: 0.5344483936411548
Energy: 0.46131594393166975
Energy: 0.4955061304285792
Energy: 0.47833602682112414
Energy: 0.5004673472836032
Energy: 0.5133294297339309
Energy: 0.48036474121828804
Energy: 0.550267939959668
Energy: 0.4777660590279362
Energy: 0.4883878324407742
Energy: 0.48301027326130397
Energy: 0.5098811119512653
Energy: 0.47869450934412744
Energy: 0.4902930421777183
Energy: 0.48955299173967654
Energy: 0.4887829167591431
Energy: 0.4668693108051945
Energy: 0.4991819851914095
Energy: 0.528963247605579
Energy: 0.49129357050741396
Energy: 0.46110490263898335
Energy: 0.49466908465683135
Energy: 0.48196678082930833
Energy: 0.5516376217338917
Energy: 0.4951772468300759
Energy: 0.5136918500626423
Energy: 0.47036026682166004
Energy: 0.4892294926020415
Energy: 0.5052506452396306

minimum gb energy = 0.44714381268231196 eV
minimum distance =  2.50436047702819 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.4464215273307318
Energy: 0.44186115029943085
Energy: 0.5911896048600563
Energy: 0.5412499110776484
Energy: 0.4959473596346714
Energy: 0.4964769797453455
Energy: 0.4178277953871738
Energy: 0.4195968971578992
Energy: 0.4836400986740616
Energy: 0.4981920367558484
Energy: 0.49486680540260997
Energy: 0.472277958579335
Energy: 0.4598674455238662
Energy: 0.475591879833963
Energy: 0.45992123095573034
Energy: 0.4754569130976139
Energy: 0.49615561428877447
Energy: 0.48985062401776225
Energy: 0.47209670637862067
Energy: 0.45896771152200827
Energy: 0.45935743866897405
Energy: 0.4550834735149365
Energy: 0.47189171307563654
Energy: 0.4959240273215804
Energy: 0.4690291610380208
Energy: 0.49818981122103523
Energy: 0.5055020099412583
Energy: 0.5186403186880961
Energy: 0.45891711740081553
Energy: 0.4689254566794799
Energy: 0.49649549408477406
Energy: 0.48665341133698403
Energy: 0.5113749976882955
Energy: 0.480013551243483
Energy: 0.45832092930789764
Energy: 0.41806622701422036
Energy: 0.47229713127103273
Energy: 0.4837439276382537
Energy: 0.4761288928617627
Energy: 0.47805689637513066
Energy: 0.45960959662594614
Energy: 0.4583762746095063
Energy: 0.49082408876698125
Energy: 0.49805812815760264
Energy: 0.475909443132596
Energy: 0.5984416218995996
Energy: 0.41759308105938253
Energy: 0.4178277133586856
Energy: 0.4747848774698945
Energy: 0.41753019762204874
Energy: 0.4873262604564692
Energy: 0.49555388768933845
Energy: 0.47539170331429526
Energy: 0.5107835477973132
Energy: 0.47638104030453843
Energy: 0.45816406857591807
Energy: 0.4175224522718801
Energy: 0.48640213439755675
Energy: 0.48871062698599577
Energy: 0.4714600294089602
Energy: 0.49161132294679866
Energy: 0.50393254783912
Energy: 0.4579679224409935
Energy: 0.4548253467898198
Energy: 0.4922017384106172
Energy: 0.4968875101084762
Energy: 0.49684868785731845
Energy: 0.46957805471834435
Energy: 0.45854993301315605
Energy: 0.5146553456375008
Energy: 0.45363220953017375
Energy: 0.4766586278628399
Energy: 0.49052671461640024
Energy: 0.472448066824609
Energy: 0.4687891395602234
Energy: 0.4698859137468335
Energy: 0.5051415942684485
Energy: 0.4689606635040075
Energy: 0.4775199585574935
Energy: 0.47078055306263655
Energy: 0.4949296626529223
Energy: 0.5002340590351378
Energy: 0.4796283267054451
Energy: 0.4726145410967193
Energy: 0.41925024466504346
Energy: 0.468714596197096
Energy: 0.49491814021665104
Energy: 0.47603910025389146
Energy: 0.5055170333361068
Energy: 0.5054920132087939
Energy: 0.4581784134626687
Energy: 0.4673999841066428
Energy: 0.4754856003946166
Energy: 0.48924207082698107
Energy: 0.48893929361136323
Energy: 0.4177618520028891
Energy: 0.4177201132030395
Energy: 0.5054571089372883
Energy: 0.43745233480651696
Energy: 0.5017285691704411
Energy: 0.4763280267261874
Energy: 0.48921777056710086
Energy: 0.41815842132630365
Energy: 0.4174457494430509
Energy: 0.47466854778130324
Energy: 0.4180259611697919
Energy: 0.4692866416667404
Energy: 0.4909024894942447
Energy: 0.48651253697834257
Energy: 0.4955764215986736
Energy: 0.4973260057153945
Energy: 0.4179395860002429
Energy: 0.4585598800708495
Energy: 0.47788360336470015
Energy: 0.49808605023016456
Energy: 0.4947946178903215
Energy: 0.4720891154800402
Energy: 0.45949569925855327
Energy: 0.47543032796781404
Energy: 0.45960017399521874
Energy: 0.47618175191412904
Energy: 0.4959847255311608
Energy: 0.48975862469060505
Energy: 0.4723099071255775
Energy: 0.4590970955085249
Energy: 0.45779376770469743
Energy: 0.4550497429719908
Energy: 0.4717141440715323
Energy: 0.496005763377376
Energy: 0.4686441852233351
Energy: 0.49872702296016785
Energy: 0.5057192314439221
Energy: 0.5242699085448996
Energy: 0.4616072896252949
Energy: 0.4690220912627313
Energy: 0.5175215696936687
Energy: 0.4864748963000253
Energy: 0.5111799828482346
Energy: 0.48012156547248086
Energy: 0.45842672652505884
Energy: 0.41759860912610075
Energy: 0.4712520230322115
Energy: 0.479604012559404
Energy: 0.4765195424226156
Energy: 0.4783601858641032
Energy: 0.4176112625924232
Energy: 0.47040208509496306
Energy: 0.45406685626124976
Energy: 0.503057702036599
Energy: 0.4756905058194873
Energy: 0.49587974505751214
Energy: 0.4177425918470479
Energy: 0.41780970684512336
Energy: 0.4748994058895873
Energy: 0.417650935237269
Energy: 0.4864413075827211
Energy: 0.49449028538213846
Energy: 0.501712268559387
Energy: 0.5109128745814668
Energy: 0.47615370767615284
Energy: 0.45769744054732536
Energy: 0.4174957082514011
Energy: 0.48636812520178185
Energy: 0.4886281391157506
Energy: 0.4717114362367368
Energy: 0.4914734774561098
Energy: 0.5040669466796733
Energy: 0.4757918684506628
Energy: 0.45513980748648947
Energy: 0.49223860569252426
Energy: 0.49681775015168217
Energy: 0.496681161126579
Energy: 0.469214673905594
Energy: 0.458748046524686
Energy: 0.5145309779773559
Energy: 0.4534727216981178
Energy: 0.4748758309472823
Energy: 0.4984095978095923
Energy: 0.4719276177334962
Energy: 0.469679407409902
Energy: 0.5073588977632085
Energy: 0.5047061879221734
Energy: 0.46842909983256537
Energy: 0.4776892300854101
Energy: 0.47084348935632464
Energy: 0.4951057358830957
Energy: 0.4946734321254417
Energy: 0.48061774585391936
Energy: 0.4710395678864758
Energy: 0.41972595646728167
Energy: 0.4688359147991415
Energy: 0.49484266675983346
Energy: 0.4761277633928955
Energy: 0.5052527252648356
Energy: 0.5077220550427167
Energy: 0.4582276697216036
Energy: 0.4674935378145034
Energy: 0.47545671708333215
Energy: 0.48903748974005284
Energy: 0.48917182849008256
Energy: 0.417759382509248
Energy: 0.4177503392269535
Energy: 0.505360939014004
Energy: 0.43929125833077237
Energy: 0.5016747788984937
Energy: 0.4763575521350505
Energy: 0.47218112154425584
Energy: 0.41814651504223466
Energy: 0.4174634063114311
Energy: 0.4744659116515371

minimum gb energy = 0.4174457494430509 eV
minimum distance =  2.54058938788655 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6033117976477048
Energy: 0.5600710124405948
Energy: 0.4768848766750881
Energy: 0.4907964331785332
Energy: 0.47911952566465793
Energy: 0.44361327512029547
Energy: 0.46012949856980806
Energy: 0.46344230361588723
Energy: 0.4243713337857744
Energy: 0.5308848590239489
Energy: 0.5012383913612173
Energy: 0.4947990027583419
Energy: 0.498752807884083
Energy: 0.5595975235933992
Energy: 0.4660651198729759
Energy: 0.47314668316487035
Energy: 0.4529334474910647
Energy: 0.4787724360470521
Energy: 0.462124728648945
Energy: 0.43163614373065595
Energy: 0.5545088262098719
Energy: 0.4307952271709223
Energy: 0.5408473246186649
Energy: 0.47710445244642974
Energy: 0.47563104146546414
Energy: 0.496578138525555
Energy: 0.45041138419184046
Energy: 0.46490099995419726
Energy: 0.4229018703424581
Energy: 0.461502618468019
Energy: 0.46610799067137754
Energy: 0.45689332002582067
Energy: 0.44447914466837446
Energy: 0.4518684943550886
Energy: 0.4884277407987955
Energy: 0.40240516963216044
Energy: 0.44118947902475913
Energy: 0.466934083906166
Energy: 0.4594978655435402
Energy: 0.41934691345967007
Energy: 0.4314053276364625
Energy: 0.4817850223463557
Energy: 0.4235066814752959
Energy: 0.4741765359277442
Energy: 0.4417389528732142
Energy: 0.4427534921255193
Energy: 0.40262634969270716
Energy: 0.4030174087737498
Energy: 0.4828915303007834
Energy: 0.46650055327523365
Energy: 0.43432600919172065
Energy: 0.4535193646123166
Energy: 0.48036143375975315
Energy: 0.495519853403789
Energy: 0.42333510944509584
Energy: 0.46927282152857747
Energy: 0.4410554862388648
Energy: 0.4585502171535547
Energy: 0.4647917023264769
Energy: 0.45658858911344813
Energy: 0.46889698234943955
Energy: 0.46979045964831984
Energy: 0.4846234745153494
Energy: 0.43137065060774316
Energy: 0.5387725823723885
Energy: 0.45124879032939297
Energy: 0.49085508552258933
Energy: 0.4332341382956719
Energy: 0.46532663648003314
Energy: 0.448053754073363
Energy: 0.48172982771739314
Energy: 0.48322683995695526
Energy: 0.4601498064051233
Energy: 0.4694300628636224
Energy: 0.40301101051609745
Energy: 0.4025480376618781
Energy: 0.4277899752735595
Energy: 0.4656616212919369
Energy: 0.4786606766150453
Energy: 0.5019221504812157
Energy: 0.5079865872614435
Energy: 0.4038849923913726
Energy: 0.4040461862379755
Energy: 0.5540082897382934
Energy: 0.40256775226548497
Energy: 0.4905381016430532
Energy: 0.47649231945031134
Energy: 0.49435580533350076
Energy: 0.45212941113985233
Energy: 0.4409197493350411
Energy: 0.4598290803796258
Energy: 0.4029575927218015
Energy: 0.42424105355229075
Energy: 0.44883380793999034
Energy: 0.5049121571261153
Energy: 0.4987426129272506
Energy: 0.5525311623968141
Energy: 0.561947264232449
Energy: 0.46575950521863474
Energy: 0.4754343729258904
Energy: 0.45103040653351184
Energy: 0.5386375193863158
Energy: 0.4822421307549833
Energy: 0.4308658180131244
Energy: 0.4608315443238841
Energy: 0.43919001151371434
Energy: 0.46837211397473344
Energy: 0.4848865477262689
Energy: 0.4813150625375617
Energy: 0.4960872875789782
Energy: 0.47028848502478876
Energy: 0.5609896317537892
Energy: 0.4228992326130724
Energy: 0.46178858635538617
Energy: 0.45442185430720033
Energy: 0.45666042995893613
Energy: 0.4208722008826104
Energy: 0.4390083588927555
Energy: 0.48895513184250305
Energy: 0.4029357922325757
Energy: 0.4395070541408712
Energy: 0.4604513794374434
Energy: 0.48929682691894394
Energy: 0.4804975486201666
Energy: 0.46316131426277307
Energy: 0.5639765172216615
Energy: 0.4037340854498394
Energy: 0.4576072600379838
Energy: 0.4543617494068085
Energy: 0.4382862766254433
Energy: 0.40284798061994564
Energy: 0.4027074269343139
Energy: 0.46377358964240045
Energy: 0.4345589007698705
Energy: 0.45737346131579937
Energy: 0.47236357253553923
Energy: 0.46255528937810414
Energy: 0.4392818306709567
Energy: 0.422763307716563
Energy: 0.4694302156566711
Energy: 0.441603409534821
Energy: 0.47529648881415987
Energy: 0.47723176566553677
Energy: 0.5485226386472657
Energy: 0.5369629305819736
Energy: 0.480125951625462
Energy: 0.5260837403272105
Energy: 0.4312901289110112
Energy: 0.4820352479022363
Energy: 0.4509571636743973
Energy: 0.48144856188913754
Energy: 0.4211888384175893
Energy: 0.43759360889139226
Energy: 0.5472821231118217
Energy: 0.42301625803919674
Energy: 0.4842028800279355
Energy: 0.5182481836424349
Energy: 0.5319414352209352
Energy: 0.45578469519854736
Energy: 0.45441599112834347
Energy: 0.46190758924428194
Energy: 0.4410268298752237
Energy: 0.4752283697610465
Energy: 0.4753656264311587
Energy: 0.4857891367095358
Energy: 0.46780555983848837
Energy: 0.45664304521987203
Energy: 0.47886718374639176
Energy: 0.40284730041340316
Energy: 0.48472918087178324
Energy: 0.44446908482116654
Energy: 0.4642704875828409
Energy: 0.45178429947548987
Energy: 0.4544606418649471
Energy: 0.46179809042982795

minimum gb energy = 0.40240516963216044 eV
minimum distance =  2.57678648486042 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.5223508198431881
Energy: 0.6493250166847873
Energy: 0.5893383929519452
Energy: 0.5752659557219095
Energy: 0.5865604409062033
Energy: 0.5758752300587572
Energy: 0.6221053738052389
Energy: 0.4738359412420171
Energy: 0.5953167355923468
Energy: 0.519855706047642
Energy: 0.5993802911347164
Energy: 0.5749303480085671
Energy: 0.5657457273933019
Energy: 0.6351837996146882
Energy: 0.5950246400156725
Energy: 0.6105034918328973
Energy: 0.5373163534295846
Energy: 0.5828445406635027
Energy: 0.5987603012194173
Energy: 0.5224246368595266
Energy: 0.622560462249116
Energy: 0.5072348041226645
Energy: 0.6432592082209304
Energy: 0.5663395383129953
Energy: 0.6247042713619176
Energy: 0.6342189872692069
Energy: 0.5277587810215075
Energy: 0.6234006673171631
Energy: 0.5181374406288549
Energy: 0.5632860141606914
Energy: 0.5838089580731985
Energy: 0.5854706055083705
Energy: 0.6134607962419096
Energy: 0.5463699211311804
Energy: 0.6090739936347553
Energy: 0.5210966264304109
Energy: 0.6016470762783104
Energy: 0.5089867285705248
Energy: 0.5710442475974533
Energy: 0.5399049124652687
Energy: 0.5326315828462229
Energy: 0.5718676927059164
Energy: 0.4788105535059985
Energy: 0.5739037660255559
Energy: 0.5221044113781647
Energy: 0.5744374965489629
Energy: 0.5641798607017495
Energy: 0.5179003821702665
Energy: 0.5499996021113571
Energy: 0.4790759398854311
Energy: 0.5333401491480436
Energy: 0.5821718587879444
Energy: 0.622612046387605
Energy: 0.6003870557176081
Energy: 0.5438124713780245
Energy: 0.5340276430506595
Energy: 0.4582763196430659
Energy: 0.5406901373154197
Energy: 0.51185066101879
Energy: 0.5245274302257126
Energy: 0.5471552578528543
Energy: 0.5518525690087837
Energy: 0.5413013463605614
Energy: 0.5042287964742997
Energy: 0.5855314375170129
Energy: 0.5048642135544464
Energy: 0.4900885355525665
Energy: 0.4952311415745941
Energy: 0.494053426527651
Energy: 0.5294713729768665
Energy: 0.5458789763071374
Energy: 0.5551133601617695
Energy: 0.521749784535872
Energy: 0.534217388083756
Energy: 0.5323794081560256
Energy: 0.5661320213043886
Energy: 0.5565523597937477
Energy: 0.4612558216102177
Energy: 0.5558213487436586
Energy: 0.5397696215150035
Energy: 0.5509191982173784
Energy: 0.5197791100736259
Energy: 0.5388422204528344
Energy: 0.5207573793202447
Energy: 0.5050359489606767
Energy: 0.5286239795894476
Energy: 0.5267119633214289
Energy: 0.6006608055997262
Energy: 0.5983736015123766
Energy: 0.5116104516582554
Energy: 0.5277707116278009
Energy: 0.4565890666350915
Energy: 0.5513967107024438
Energy: 0.4978897770172683
Energy: 0.55062925929886
Energy: 0.5245278089886156
Energy: 0.505861269045742
Energy: 0.550882033203424
Energy: 0.4878474201827082
Energy: 0.5957611332213381
Energy: 0.492782088744358
Energy: 0.5151043059683212
Energy: 0.5176638040370204
Energy: 0.5093082810104952
Energy: 0.5660057093187474
Energy: 0.4499286156683693
Energy: 0.5880573243169173
Energy: 0.5666706736240673
Energy: 0.5892880264722646
Energy: 0.6112204854056454
Energy: 0.586454126672728
Energy: 0.5831875092881451
Energy: 0.4969736601383969
Energy: 0.634304689700697
Energy: 0.52584749972456
Energy: 0.5958103655761663
Energy: 0.5877406985739289
Energy: 0.536040491357763
Energy: 0.5868216563262137
Energy: 0.5210263385970721
Energy: 0.5906547312241615
Energy: 0.5306059338915964
Energy: 0.5509316332849479
Energy: 0.5565097481150051
Energy: 0.5165429908248165
Energy: 0.5899039522601779
Energy: 0.507855070105413
Energy: 0.5666463423176171
Energy: 0.6023340004180514
Energy: 0.5845558476205848
Energy: 0.5631640696273573
Energy: 0.5507790183255853
Energy: 0.582223883507516
Energy: 0.5146519116366911
Energy: 0.614440411038178
Energy: 0.5723257257341599
Energy: 0.5741961546354181
Energy: 0.632029190588057
Energy: 0.5995073162842242
Energy: 0.6259412614859846
Energy: 0.5632261632596496
Energy: 0.5972936817059414
Energy: 0.5358635079506572
Energy: 0.6214660432097528
Energy: 0.5953348754072806
Energy: 0.5526368101757559
Energy: 0.6014820421652567
Energy: 0.4877926310958489
Energy: 0.6037593870529361
Energy: 0.5770772959616954
Energy: 0.5881841728325163
Energy: 0.6073800992956183
Energy: 0.5575027859045614
Energy: 0.6129113497051737
Energy: 0.517713398715625
Energy: 0.6282498759238769
Energy: 0.5944340065907379
Energy: 0.5628890857432226
Energy: 0.6528474047542249
Energy: 0.6010607279732482
Energy: 0.6273918387138437
Energy: 0.5466868683313206
Energy: 0.584529561477587
Energy: 0.5554121793175483
Energy: 0.6042933766530635
Energy: 0.5756929567497352
Energy: 0.5314708209818659
Energy: 0.6023710714732526
Energy: 0.5389058988052191
Energy: 0.5949571074929333
Energy: 0.5361915133964419
Energy: 0.5745644035606441
Energy: 0.5474479659972181
Energy: 0.5228236172747301
Energy: 0.5891014746118174
Energy: 0.5060748050417918
Energy: 0.6094275616009265
Energy: 0.576704691087714
Energy: 0.5989722311591581
Energy: 0.6266757965022313
Energy: 0.6010558999552945
Energy: 0.6012814376435022
Energy: 0.4694826303322714
Energy: 0.6339992183936235
Energy: 0.5773589293297656
Energy: 0.5425054480154261
Energy: 0.5414989665376094
Energy: 0.5239868630791914
Energy: 0.5858778509028408
Energy: 0.5212874691432287
Energy: 0.6032907712613491
Energy: 0.49377518010168603
Energy: 0.5553186012620908
Energy: 0.5141744776320365
Energy: 0.4897800954820296
Energy: 0.5713943479421516
Energy: 0.4922533776587082
Energy: 0.5524331894877915
Energy: 0.5203544181735166
Energy: 0.5909446915104225
Energy: 0.5148832109388108
Energy: 0.5205099357277622
Energy: 0.5586452113006005
Energy: 0.5060199902786828
Energy: 0.533983629043598
Energy: 0.5343779440488754
Energy: 0.6282542275385469
Energy: 0.6241426405999345
Energy: 0.5185873179722716
Energy: 0.5428968951615792
Energy: 0.4600446283171292
Energy: 0.5352533336193728
Energy: 0.4993557509147105
Energy: 0.5248100711561723
Energy: 0.5366235816429678
Energy: 0.5525953284902437
Energy: 0.5413854631904486
Energy: 0.5395208327564752
Energy: 0.5854290457296482
Energy: 0.5040771911656244
Energy: 0.5122297846747461
Energy: 0.49887972574640277
Energy: 0.5280574248239139
Energy: 0.5761095094459291
Energy: 0.5629109608281315
Energy: 0.573418173292329
Energy: 0.5266116895024064
Energy: 0.48588332088591246
Energy: 0.4840721285262336
Energy: 0.5641966576757225
Energy: 0.5649116737150031
Energy: 0.46757404524964535
Energy: 0.5226558226463893
Energy: 0.5350527766565382
Energy: 0.5575763077857318
Energy: 0.5690069197502106
Energy: 0.5390774463604279
Energy: 0.5153250350769205
Energy: 0.5165096986678704
Energy: 0.525999634457602
Energy: 0.5300047755906935
Energy: 0.6001341498553496
Energy: 0.5993618185984522
Energy: 0.5389136472210364
Energy: 0.5265865197850041
Energy: 0.48310667828917303
Energy: 0.5404290651909377
Energy: 0.5101930777611496
Energy: 0.5473625398713046
Energy: 0.5162425560832422
Energy: 0.5020475139309214
Energy: 0.5292233639848168
Energy: 0.48772019981751347
Energy: 0.5939619659677287
Energy: 0.49384168745813317
Energy: 0.5141613912614259
Energy: 0.5063025327717916
Energy: 0.4994466041096006
Energy: 0.5734413346619994
Energy: 0.45594040809573505
Energy: 0.5890342118336835
Energy: 0.5438494268552496
Energy: 0.5514978324417339
Energy: 0.5955114765665123
Energy: 0.5130845941839126
Energy: 0.5592323912527097
Energy: 0.511395763768485
Energy: 0.5821401292373932
Energy: 0.5287466527182068
Energy: 0.5948232973589442
Energy: 0.5707121557766517
Energy: 0.5352838833387203
Energy: 0.5769112317723534
Energy: 0.5221589350297016
Energy: 0.5952554426088524
Energy: 0.5494840304897393
Energy: 0.5437022641825144
Energy: 0.5957796367943836
Energy: 0.49096846304535957
Energy: 0.5676533120447551
Energy: 0.536281177059822
Energy: 0.6367713790744041
Energy: 0.5723414482389428
Energy: 0.5954735331700338
Energy: 0.6106338760332705
Energy: 0.5940747400005922
Energy: 0.6094753186621078
Energy: 0.5074641319210919
Energy: 0.621914734558798
Energy: 0.5799865750714068
Energy: 0.5967835946898674
Energy: 0.6298117447279749
Energy: 0.5969106651543411
Energy: 0.6040256580167344
Energy: 0.5492884254020179
Energy: 0.6129820383887826
Energy: 0.5465026421233531
Energy: 0.60085073299126
Energy: 0.5957852257315923
Energy: 0.5521001275291356
Energy: 0.6021831267984336
Energy: 0.5646799527720746
Energy: 0.610680013902212
Energy: 0.5766697349529718
Energy: 0.6027509831849094
Energy: 0.591522068624379
Energy: 0.5399045125126836
Energy: 0.6302439293667506
Energy: 0.5044327696644962
Energy: 0.610707944037925
Energy: 0.5918441900067677
Energy: 0.5787147174625162
Energy: 0.5937573343065763
Energy: 0.5399155798625757
Energy: 0.628539851106104

minimum gb energy = 0.4499286156683693 eV
minimum distance =  2.5148656126541 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.5451985058815338
Energy: 0.5341429428900271
Energy: 0.5313134542461305
Energy: 0.5327959190261189
Energy: 0.5322763810691747
Energy: 0.5302024890253366
Energy: 0.5339553722259797
Energy: 0.5271132075674482
Energy: 0.6405155574749511
Energy: 0.5369759795629787
Energy: 0.5272552222659934
Energy: 0.526574174650376
Energy: 0.5348952876677685
Energy: 0.6427958115431129
Energy: 0.5331156389008476
Energy: 0.6454042966337309
Energy: 0.5355372222637228
Energy: 0.5286621652762895
Energy: 0.5289658599865409
Energy: 0.5351872269749695
Energy: 0.5280873702943256
Energy: 0.532277064169767
Energy: 0.6469638784555198
Energy: 0.5341193004687756
Energy: 0.5298039873586461
Energy: 0.5295359785686367
Energy: 0.5320547149990668
Energy: 0.5301913186353909
Energy: 0.5268113109616022
Energy: 0.6420572320661758
Energy: 0.5249333264676789
Energy: 0.6482815971747191
Energy: 0.5299895206262771
Energy: 0.5253587317988603
Energy: 0.6431514257395492
Energy: 0.5329181666412417
Energy: 0.6476288306919705
Energy: 0.5327707996223066
Energy: 0.5322911778270338
Energy: 0.5309699891291841
Energy: 0.5308087342305202
Energy: 0.5318472136933813
Energy: 0.5342116176688675
Energy: 0.6446717810829367
Energy: 0.5362025390962549
Energy: 0.5271433347088386
Energy: 0.5272009929792243
Energy: 0.535994204580932
Energy: 0.6424586259198658
Energy: 0.5338033402556203
Energy: 0.6446233435996523
Energy: 0.5355685545202482
Energy: 0.5282201999270579
Energy: 0.527491059514195
Energy: 0.5362061108928978
Energy: 0.6424580554172376
Energy: 0.5330219930205782
Energy: 0.6479853895513917
Energy: 0.5331933204028525
Energy: 0.5308190161320203
Energy: 0.5305546398794149
Energy: 0.530871366695622
Energy: 0.5313659257235973
Energy: 0.5267851176434392
Energy: 0.6425402277987899
Energy: 0.525184194313696
Energy: 0.645286211621338
Energy: 0.6511026827183859
Energy: 0.5252710833179736
Energy: 0.642237204553619
Energy: 0.533132918230955
Energy: 0.647691056947574
Energy: 0.5333925232103089
Energy: 0.5307921280439363
Energy: 0.5301697133145098
Energy: 0.5310061170845395
Energy: 0.5308727457964078
Energy: 0.5335086210755416
Energy: 0.6451094144910403
Energy: 0.5350893529571318
Energy: 0.5285831291112948
Energy: 0.5284651199702185
Energy: 0.5362745355309823
Energy: 0.6407595501006347
Energy: 0.5347484828436967
Energy: 0.6443707498984628
Energy: 0.536338752764457
Energy: 0.5268664761339139
Energy: 0.526721207702659
Energy: 0.5345957779675942
Energy: 0.6425898966999992
Energy: 0.5326088513903162
Energy: 0.6473460156404247
Energy: 0.5307050881991973
Energy: 0.5325292711991143
Energy: 0.5320255503554256
Energy: 0.5303655245101344
Energy: 0.5325847267845327
Energy: 0.5269218093822167
Energy: 0.6420062789060923
Energy: 0.5250170354361128
Energy: 0.529689413306554
Energy: 0.5267369335710146
Energy: 0.5345639677500544
Energy: 0.6418111973898658
Energy: 0.5327822278814687
Energy: 0.6461990989151357
Energy: 0.5355899357105758
Energy: 0.529317217524532
Energy: 0.529405087710967
Energy: 0.5333964675663718
Energy: 0.528028789669209
Energy: 0.5328710308296232
Energy: 0.6455204830443452
Energy: 0.5354478967601627
Energy: 0.5291565483761929
Energy: 0.5292330407456338
Energy: 0.5340249775542434
Energy: 0.5284943855518234
Energy: 0.5270146904509769
Energy: 0.6419371685425022
Energy: 0.5351946233030496
Energy: 0.5271718392420376
Energy: 0.5267700003244222
Energy: 0.534841011542257
Energy: 0.641698100966664
Energy: 0.5451968009376819
Energy: 0.6458976209241841
Energy: 0.5329936522676595
Energy: 0.5328662590318473
Energy: 0.5319285062969721
Energy: 0.5306499570086027
Energy: 0.5344601173082374
Energy: 0.5350054200312188
Energy: 0.644247949273925
Energy: 0.5364732385773427
Energy: 0.5272192610911604
Energy: 0.5265361726889932
Energy: 0.5349460895112466
Energy: 0.6413885978350787

minimum gb energy = 0.5249333264676789 eV
minimum distance =  2.55470399440381 Angstroms
sigma value = 23