Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049763545393944
cohesive_energy=3.3185781967567785
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.898509408669039e-20, 1.198269506745234e-19, 1.86350766477174e-19, 2.5415167727478596e-19, 3.1908469189753797e-19, 3.7609814741842796e-19, 4.19627684387574e-19, 4.48383550614606e-19, 4.65284911926672e-19, 4.7357136947772e-19, 4.77418195575954e-19, 4.815069503459219e-19, 4.88160789906924e-19, 4.958512377501239e-19, 5.03745162025842e-19, 5.109181068162599e-19, 5.1638954002137e-19, 5.205696188594759e-19, 5.2421617287846e-19, 5.2700235804498595e-19, 5.290980050822579e-19, 5.305319531696879e-19, 5.31376300255806e-19, 5.31653476813488e-19, 5.313522676062959e-19, 5.30373337682922e-19, 5.286109433855219e-19, 5.259144801105e-19, 5.221061062514819e-19, 5.169775388460479e-19, 5.10334914521484e-19, 5.017536564697799e-19, 4.90910125010868e-19, 4.773284736844499e-19, 4.604271123723839e-19, 4.3947064199966395e-19, 4.1352980011856996e-19, 3.81779465762592e-19, 3.42053496122562e-19, 2.9265358396644e-19, 2.3094254655466196e-19, 1.5342539577782038e-19, 5.52001120065288e-20, -7.04139006700026e-20, -2.3268891908572194e-19, -4.45903381185174e-19, -7.30449951383574e-19, -1.1186861889811859e-18, -1.66200190951356e-18, -2.4479656790885997e-18, -3.63320788762278e-18, -5.52324759745356e-18, -8.774993250287278e-18, -1.502516440835298e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011537597235270878
Energy: 0.013844052495283941
Energy: 0.055081192111834265
Energy: 0.05465052815483985
Energy: 0.013458781278137858
Energy: 0.012261851811203065
Energy: 0.05394367857797434
Energy: 0.05540170324517408
Energy: 0.05441671176734922
Energy: 0.013093008491134922
Energy: 0.0147168807426876
Energy: 0.05737172578453162
Energy: 0.05409829587375849
Energy: 0.05500728940025941
Energy: 0.05533602988812146
Energy: 0.05405924999489275
Energy: 0.05700304902765703
Energy: 0.05399908575384115
Energy: 0.05506371733522466
Energy: 0.05498026833428422
Energy: 0.05571049426788533
Energy: 0.013818131249935393
Energy: 0.011779464358843666
Energy: 0.05407435310062525
Energy: 0.054484066557333365
Energy: 0.05515611979044022
Energy: 0.013265676999626401
Energy: 0.011780344641805647
Energy: 0.053805845856533974
Energy: 0.055013266752727864
Energy: 0.05464830073631478
Energy: 0.012919015304195631
Energy: 0.012357309173058327
Energy: 0.05699706138033823
Energy: 0.05386796235372089
Energy: 0.055071067552332514
Energy: 0.012659118494765824
Energy: 0.012007609707946648
Energy: 0.055949705154444536
Energy: 0.05384617879880832
Energy: 0.05436214913598186
Energy: 0.054303699386102584
Energy: 0.05608471580548181
Energy: 0.012645769059865876
Energy: 0.01191578642546274
Energy: 0.054011183820026454
Energy: 0.054674263984290435
Energy: 0.0555595467887309
Energy: 0.013061796877705149
Energy: 0.05626235892626983
Energy: 0.05615197032019488
Energy: 0.054017821332885206
Energy: 0.0545029696909024
Energy: 0.012217897178622986
Energy: 0.013944399651374366
Energy: 0.056331612091888125
Energy: 0.05370304058937234
Energy: 0.05490601543979101
Energy: 0.012546369284058648
Energy: 0.01434445482669343
Energy: 0.014473733029420585
Energy: 0.05625685502448555
Energy: 0.05441186336669863
Energy: 0.05439685065124585
Energy: 0.05640307307525925
Energy: 0.014616989953253192
Energy: 0.05674066407111806
Energy: 0.054282735606825006
Energy: 0.05466507667485098
Energy: 0.05594973576269349

minimum gb energy = 0.011537597235270878 eV
minimum distance =  2.82305193263659 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.3977375999596205
Energy: 0.37811216038406487
Energy: 0.37875547594568665
Energy: 0.3960282834225148
Energy: 0.4124368385227823
Energy: 0.37762518449544674
Energy: 0.37828696362083664
Energy: 0.378773249520914
Energy: 0.3963373665639366
Energy: 0.32676190151566825
Energy: 0.44412711358858004
Energy: 0.3785358879295447
Energy: 0.34024733271762597
Energy: 0.4170891065075062
Energy: 0.37150504343036916
Energy: 0.47657250141286583
Energy: 0.3789469055597895
Energy: 0.34068895750444894
Energy: 0.4168683933916027
Energy: 0.37543299728593765
Energy: 0.41508047332251874
Energy: 0.3517036138133621
Energy: 0.37542575821719154
Energy: 0.402017204771955
Energy: 0.3758964231340671
Energy: 0.3720735036476292
Energy: 0.35208713961643767
Energy: 0.3749105986301374
Energy: 0.39130603606884395
Energy: 0.3762657455458937
Energy: 0.38023210444782807
Energy: 0.39723113098317514
Energy: 0.37516800358507374
Energy: 0.3898326878645541
Energy: 0.37691518300428944
Energy: 0.3795485948443202
Energy: 0.39657640663968424
Energy: 0.3753736529773636
Energy: 0.3906557264531884
Energy: 0.3872572137245648
Energy: 0.3981478505307651
Energy: 0.40654718860924344
Energy: 0.3853444522033953
Energy: 0.33940365839894987
Energy: 0.3847428504620292
Energy: 0.3975215009136688
Energy: 0.4063814170095189
Energy: 0.38569241753422456
Energy: 0.3398866413945598
Energy: 0.39557480802942163
Energy: 0.4142114033982788
Energy: 0.4062233711365504
Energy: 0.338175849680677
Energy: 0.4430568300753645
Energy: 0.3957591219986699
Energy: 0.41675723234856754
Energy: 0.40657581870989695
Energy: 0.33964385953851783
Energy: 0.4072458631591943
Energy: 0.42193974306282894
Energy: 0.37605954783258577
Energy: 0.4030228550190275
Energy: 0.38764119379673206
Energy: 0.38744870337081794
Energy: 0.3919461775968562
Energy: 0.3790206262131174
Energy: 0.4347872679348387
Energy: 0.3638584044358983
Energy: 0.38730031767479883
Energy: 0.3976790968229498
Energy: 0.3879230166313169
Energy: 0.40744568211814125
Energy: 0.48523634752548617
Energy: 0.3875283105571381
Energy: 0.387587129911582
Energy: 0.3883159409014484
Energy: 0.4087842865252026
Energy: 0.47580131194676434
Energy: 0.3870365414183067
Energy: 0.42378574527007634
Energy: 0.34583181842758354
Energy: 0.3929452812987158
Energy: 0.3837083874648032
Energy: 0.3878959164553639
Energy: 0.4235687081283582
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Energy: 0.32013327984992623
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Energy: 0.3388869898276862
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Energy: 0.39783256156745544
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Energy: 0.35446142044772516
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Energy: 0.3366242416755304
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Energy: 0.3857068094280577
Energy: 0.3822233370473597
Energy: 0.3360750192428594
Energy: 0.3369128500339287
Energy: 0.38531716384607956
Energy: 0.38525936027211427
Energy: 0.3821899245904767
Energy: 0.5239681668424124
Energy: 0.3856466950397883
Energy: 0.3853887483072468
Energy: 0.3857028273906377
Energy: 0.4095343960195696
Energy: 0.41012246947446945
Energy: 0.3859425727825308
Energy: 0.3854820325908607
Energy: 0.3854194370949909
Energy: 0.40724391376804653
Energy: 0.31678642669833296
Energy: 0.3891654485584905
Energy: 0.3855457630105501
Energy: 0.42105537758314243
Energy: 0.337325602082435
Energy: 0.31724533130621047
Energy: 0.38610763452848446
Energy: 0.38618866124521783
Energy: 0.4215096012073556
Energy: 0.3412157811985913
Energy: 0.3371243735454778
Energy: 0.371647277515114
Energy: 0.35118776327187146
Energy: 0.3597785965584743
Energy: 0.3366734243310731
Energy: 0.35991530133100913
Energy: 0.3719774879509351
Energy: 0.3518572072796823
Energy: 0.3599222845835987
Energy: 0.3366969076724498
Energy: 0.3595002879679316
Energy: 0.3505755106779827
Energy: 0.3967073610561036
Energy: 0.35940478741516013
Energy: 0.3263191989942994
Energy: 0.3604729515819527
Energy: 0.3508408677218169
Energy: 0.35229675235433505
Energy: 0.35921783191947193
Energy: 0.3264717691287944
Energy: 0.38439392831853697
Energy: 0.38633585743115634
Energy: 0.40155650639414525
Energy: 0.3853899485452118
Energy: 0.3394651851588869
Energy: 0.38426776378486593
Energy: 0.38634058855809944
Energy: 0.40169893559611297
Energy: 0.3385265162985305
Energy: 0.3395028686802981
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Energy: 0.4141144213500236
Energy: 0.40176135140667707
Energy: 0.3384910818612928
Energy: 0.4030910300559752
Energy: 0.4240050245912706
Energy: 0.4153902323330477
Energy: 0.40153842531518796
Energy: 0.37425772706602173
Energy: 0.4025382181138934
Energy: 0.4223999976653121
Energy: 0.42222565148754465
Energy: 0.4168040068367416
Energy: 0.38877999070994507
Energy: 0.3876482092035818
Energy: 0.397883385890942
Energy: 0.4216729313187534
Energy: 0.40191218028423237
Energy: 0.3395149489882442
Energy: 0.3874854470798873
Energy: 0.3925218647550072
Energy: 0.3882393586745261
Energy: 0.32003544057336164
Energy: 0.31916988867505686
Energy: 0.3874583530714433
Energy: 0.3890871270599484
Energy: 0.38809784396144403
Energy: 0.3181529354281145
Energy: 0.48726394944401163
Energy: 0.3867572590816709
Energy: 0.4232978957103741
Energy: 0.346543898829422
Energy: 0.32079876802651663
Energy: 0.409633161079992
Energy: 0.38750523257031577
Energy: 0.4228182226392445
Energy: 0.34632454061198414
Energy: 0.32011998557615695
Energy: 0.34054681948075255
Energy: 0.3870271296743184
Energy: 0.3563393996522015
Energy: 0.34000246475683954
Energy: 0.3390520211974346
Energy: 0.3615762781129005
Energy: 0.35247751993120585
Energy: 0.3603016755001003
Energy: 0.33918264008221605
Energy: 0.3393085369689361
Energy: 0.38410182027168227
Energy: 0.3535470139431377
Energy: 0.35905377682655154
Energy: 0.34133740349003994
Energy: 0.3618856466680478
Energy: 0.3601240723465613
Energy: 0.3605369966309795
Energy: 0.3826094831938523
Energy: 0.33981506361387104
Energy: 0.3615572002204595
Energy: 0.3602685808712528
Energy: 0.3530688593088343
Energy: 0.456074299055495
Energy: 0.33859945427547966
Energy: 0.40242346961535164
Energy: 0.42345964054033003
Energy: 0.37572179362746155
Energy: 0.3754783587303771
Energy: 0.394951599453534
Energy: 0.3406993683944443
Energy: 0.45181787936991513
Energy: 0.37596073507754435
Energy: 0.4179764567091114
Energy: 0.3740390888766424
Energy: 0.4187474647753579
Energy: 0.415436245745731
Energy: 0.3954284315703644
Energy: 0.4554154425228544
Energy: 0.37389851891061715
Energy: 0.41896897132599503
Energy: 0.41445945438813314
Energy: 0.41297523989501794
Energy: 0.37193775668902246
Energy: 0.3938662614386391
Energy: 0.37851390709211113
Energy: 0.3771068837825697
Energy: 0.38478055916731746
Energy: 0.371563724157045
Energy: 0.405398914544254
Energy: 0.4135085448388227
Energy: 0.37841281989953407
Energy: 0.42345107461854425
Energy: 0.5583647607690729
Energy: 0.37774994268143014
Energy: 0.37804193226860405
Energy: 0.37835398156565575
Energy: 0.395653785255376
Energy: 0.3977712641275194
Energy: 0.37749952882112986
Energy: 0.3784069198329964
Energy: 0.37854580727685555
Energy: 0.3950869170636445

minimum gb energy = 0.31678642669833296 eV
minimum distance =  2.66637405566993 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.7678880876281605
Energy: 0.46083348735877677
Energy: 0.4220800191216308
Energy: 0.41819252888431646
Energy: 0.46384660170521963
Energy: 0.4080572186868
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Energy: 0.42735056766186513
Energy: 0.4135684367592919
Energy: 0.4688835677097332
Energy: 0.4237611321004416
Energy: 0.42258657583464804
Energy: 0.42751027732459296
Energy: 0.41306450006460144
Energy: 0.4124290122797581
Energy: 0.4163017587049157
Energy: 0.4078505125152095
Energy: 0.42744172748718295
Energy: 0.42334588851615973
Energy: 0.41883888888052634
Energy: 0.4656450922003426
Energy: 0.4944072794088706
Energy: 0.4320977534514757
Energy: 0.43149172595597934
Energy: 0.4396938223492463
Energy: 0.40735195090630827
Energy: 0.4942181551725973
Energy: 0.4311409085915933
Energy: 0.4407662318431488
Energy: 0.424112472772344
Energy: 0.43856225996917153
Energy: 0.41841812443546533
Energy: 0.4210790720178384
Energy: 0.40731100344575766
Energy: 0.42539908271133803
Energy: 0.4401749933739023
Energy: 0.4075941315836772
Energy: 0.3967260418684024
Energy: 0.43222291614375874
Energy: 0.43742947863797116
Energy: 0.4154629363348967
Energy: 0.40704627099085605
Energy: 0.49311955232731025
Energy: 0.4213208105086434
Energy: 0.39203373935467084
Energy: 0.40812709858497176
Energy: 0.4119142839244372
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Energy: 0.4539303269044918
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Energy: 0.41454087813448687
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Energy: 0.42716741319543544
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Energy: 0.42936303190084857
Energy: 0.43137595052736366
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Energy: 0.41610490242551573
Energy: 0.4189965244001802
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Energy: 0.40798662991587964
Energy: 0.3986999385226345
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Energy: 0.46851678558864795
Energy: 0.41604332091086077
Energy: 0.41404947341643866
Energy: 0.40069909594985337
Energy: 0.4104590701904282
Energy: 0.4882281380349506
Energy: 0.4542569035446394
Energy: 0.42736622047035333
Energy: 0.404135518527684
Energy: 0.40525633596617106
Energy: 0.41375145244065636
Energy: 0.4244653301967312
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Energy: 0.40986389573875937
Energy: 0.3990672626111597
Energy: 0.4103939131389357
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Energy: 0.40723399850732417
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Energy: 0.41438933857880134
Energy: 0.41425835767197267
Energy: 0.419293765240589
Energy: 0.42628970674536604
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Energy: 0.43736694042182106
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Energy: 0.4413972065512663
Energy: 0.42707960156664904
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minimum gb energy = 0.3885464813943914 eV
minimum distance =  2.56943290565584 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.4088475172658674
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Energy: 0.42188558972387474
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Energy: 0.4285895150549969
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Energy: 0.431825403726698
Energy: 0.43189749898711416
Energy: 0.44227121951091436
Energy: 0.44558839667882777
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Energy: 0.43119287312421384
Energy: 0.42243208153689565
Energy: 0.4472063058976824
Energy: 0.45527823099559794
Energy: 0.43295768538186874
Energy: 0.422208636336556
Energy: 0.4304008017304374
Energy: 0.42723863552445973
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Energy: 0.431621835991368
Energy: 0.42045808942850316
Energy: 0.4309747596135755
Energy: 0.4466121211417134
Energy: 0.4379770663733518
Energy: 0.43401389395763157
Energy: 0.4375984442590804
Energy: 0.42843260598063887
Energy: 0.4282888679016844
Energy: 0.4293299132865718
Energy: 0.4321516172717086
Energy: 0.43227227771393184
Energy: 0.42823325464176837
Energy: 0.42287768774363627
Energy: 0.4375747234216112
Energy: 0.41414911619399164
Energy: 0.43796660718287767
Energy: 0.42930683261286756
Energy: 0.4068968941988342
Energy: 0.4282615597858443
Energy: 0.4061952648939077
Energy: 0.4326273624762658
Energy: 0.43235254488067465
Energy: 0.4168441454779509
Energy: 0.4197634577485821
Energy: 0.41214811454605854
Energy: 0.427231222346566
Energy: 0.4308479698275035
Energy: 0.4081614173842006
Energy: 0.42899888360928684
Energy: 0.4091005105371218
Energy: 0.43037360377438216
Energy: 0.4323436351538681
Energy: 0.42978866531376897
Energy: 0.45387092482523284
Energy: 0.4435330901143998
Energy: 0.44684599135201775
Energy: 0.433638657859026
Energy: 0.4525768525179317
Energy: 0.4111153272691413
Energy: 0.44399065919817216
Energy: 0.44831192483119714
Energy: 0.43361057185007534
Energy: 0.44934875538045455
Energy: 0.4359124590481497
Energy: 0.41971627230796243
Energy: 0.4106362073314552
Energy: 0.40848914959195437
Energy: 0.4431559299628921
Energy: 0.4121032954581034
Energy: 0.4159018189754748
Energy: 0.4055231849020029
Energy: 0.4078929824994581
Energy: 0.4474219158026863
Energy: 0.46114913818484815
Energy: 0.4046272429949027
Energy: 0.4051134777561905
Energy: 0.4048770779419119
Energy: 0.4045618561748256
Energy: 0.4038859556815793
Energy: 0.4048955229571735
Energy: 0.40996274610852385
Energy: 0.40470245386354226
Energy: 0.43230289366452734

minimum gb energy = 0.4038859556815793 eV
minimum distance =  2.5768718589253 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.5371452025593833
Energy: 0.3969315267210227
Energy: 0.40102021431173807
Energy: 0.41712020844061976
Energy: 0.39684843096297606
Energy: 0.5367242317493253
Energy: 0.4010217630214472
Energy: 0.40125905271126394
Energy: 0.4167697629918995
Energy: 0.396953831211355
Energy: 0.3975921086927992
Energy: 0.41896542248607654
Energy: 0.4207488528148163
Energy: 0.414522315530372
Energy: 0.4334464682284761
Energy: 0.41511304043187575
Energy: 0.41598594265678057
Energy: 0.418020635213416
Energy: 0.4154280894350244
Energy: 0.43166401599968185
Energy: 0.4171574701508132
Energy: 0.43313441470199004
Energy: 0.4005456055164731
Energy: 0.40193188420051523
Energy: 0.4264133717984559
Energy: 0.41676039969896844
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Energy: 0.43806154242709583
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Energy: 0.4161205468275267
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Energy: 0.41682752499423664
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Energy: 0.4171635257432036
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Energy: 0.4138397575121088
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Energy: 0.3975081436253601
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Energy: 0.41622662519394477
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Energy: 0.4143940996468465
Energy: 0.4143937256468945
Energy: 0.39815415476340055
Energy: 0.40233721893079927
Energy: 0.40070003963399736
Energy: 0.4147117175794004
Energy: 0.42570727668791836
Energy: 0.4337966986872076
Energy: 0.41931422399314994
Energy: 0.41834621868634286
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Energy: 0.4145038164863944
Energy: 0.4325811454893127
Energy: 0.41680030464920825
Energy: 0.4166106271593161
Energy: 0.41906837416213094
Energy: 0.41575978971567806
Energy: 0.4262528948765881
Energy: 0.417118505412437
Energy: 0.4180886597658477
Energy: 0.41754835282639385
Energy: 0.427546559767251
Energy: 0.41918430586861166
Energy: 0.4173813508572307
Energy: 0.41987757034757783
Energy: 0.41847109761299645
Energy: 0.4343615800468313
Energy: 0.41888170386622237
Energy: 0.4193981913031995
Energy: 0.41741827801232334
Energy: 0.4165374811228335
Energy: 0.4213255853795584
Energy: 0.41887450595626546
Energy: 0.4179789428074487
Energy: 0.41758166153376264
Energy: 0.41665859786650905
Energy: 0.419974799796766
Energy: 0.44652343336947536
Energy: 0.42037786370801083
Energy: 0.4030313716791941
Energy: 0.4147647551683115
Energy: 0.40230429409778534
Energy: 0.4237463829322175
Energy: 0.41616829124394583
Energy: 0.41553242124392237
Energy: 0.414984983062721
Energy: 0.403568970489377
Energy: 0.42333094338565597
Energy: 0.41666746626815954
Energy: 0.41413477350816325
Energy: 0.3982571033515577
Energy: 0.41426254151382114
Energy: 0.4324007891689172
Energy: 0.4163908252912454
Energy: 0.40148317496484226
Energy: 0.3970448960208243
Energy: 0.4137079892047671
Energy: 0.397410726466204
Energy: 0.41645887173037166
Energy: 0.417217402173278
Energy: 0.4016628266094692
Energy: 0.4165354047533964
Energy: 0.4215164454529194
Energy: 0.4156857385548527
Energy: 0.4176851176192868
Energy: 0.4027290321148951
Energy: 0.4174995662220799

minimum gb energy = 0.39684843096297606 eV
minimum distance =  2.58511440542497 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.3803029875077552
Energy: 0.3771645605357929
Energy: 0.3750372427352013
Energy: 0.3641006005324223
Energy: 0.35299590331319003
Energy: 0.36186389861653606
Energy: 0.35731224432890657
Energy: 0.37511063247356374
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Energy: 0.3959214987716523
Energy: 0.38684994155488395
Energy: 0.37763911353771396
Energy: 0.37701771296017483
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Energy: 0.3677053331051851
Energy: 0.3995904704362994
Energy: 0.40984843390851466
Energy: 0.3738986880332773
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Energy: 0.3733284381553883
Energy: 0.4095541663559334
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Energy: 0.36531150831140385
Energy: 0.3811992471909709
Energy: 0.38488884860054995
Energy: 0.3974990598568352
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Energy: 0.3804924465875943
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Energy: 0.3695310637011211
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Energy: 0.3998033801152011
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Energy: 0.377631367903006
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Energy: 0.36494891763746323
Energy: 0.37261303455404304
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Energy: 0.37619006990893433
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Energy: 0.3565661552644315
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Energy: 0.354772305226018
Energy: 0.3792320716563976
Energy: 0.36815595309681187
Energy: 0.3981949378779239
Energy: 0.3811250171518436
Energy: 0.35542521115369774
Energy: 0.3814527876165281
Energy: 0.3799607326366372
Energy: 0.38906010050300804
Energy: 0.3861279477556974
Energy: 0.38286146351187533
Energy: 0.3900755960227732
Energy: 0.38390243182845046
Energy: 0.38309002668596215
Energy: 0.4085196700208639
Energy: 0.41532132090612894
Energy: 0.3759635097716463
Energy: 0.38396517255090684
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Energy: 0.40525985687305516
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Energy: 0.3785770909442133
Energy: 0.3760249274100032
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Energy: 0.3825515863653681
Energy: 0.3719815004683007
Energy: 0.3862606790711853
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Energy: 0.39749015989513725
Energy: 0.39430296197597636
Energy: 0.39528428663218834
Energy: 0.38056116857219535
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Energy: 0.38557505822265353
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Energy: 0.3937909640166078
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Energy: 0.3899008400292738
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Energy: 0.3646262580792045
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Energy: 0.39243049310118805
Energy: 0.39068403269126173
Energy: 0.40168226793925266
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Energy: 0.3767712204310254
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Energy: 0.3692447025855626
Energy: 0.3933349705719936
Energy: 0.38364768438029506
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Energy: 0.38365656161501743
Energy: 0.38162951801115175
Energy: 0.39260938661607037
Energy: 0.3795193284915297
Energy: 0.3545252415548734
Energy: 0.35526161832384334
Energy: 0.38615866708910535
Energy: 0.3597987701087948
Energy: 0.38531305237534563
Energy: 0.37914992279527293
Energy: 0.3834384480739997
Energy: 0.35479348102253494
Energy: 0.36287346543635235
Energy: 0.37263769597357566
Energy: 0.3725480610566965
Energy: 0.35437538022307663
Energy: 0.3759970106847826
Energy: 0.36324634134079287
Energy: 0.3729412944754286
Energy: 0.3758775404420992
Energy: 0.3853526505679706
Energy: 0.380081492338866
Energy: 0.3781279090877211
Energy: 0.3968322730048335
Energy: 0.37547797397838206
Energy: 0.3548458420910766
Energy: 0.3529579128298709
Energy: 0.3766151789476132
Energy: 0.38062435462723815
Energy: 0.3785272824418431
Energy: 0.35368527881099737
Energy: 0.3876123977570181
Energy: 0.3918608760404192
Energy: 0.36178583970453093
Energy: 0.38824760764868577
Energy: 0.390410339854735
Energy: 0.3543643894302234
Energy: 0.36667127740547173
Energy: 0.3588080137983795
Energy: 0.3741186272663173
Energy: 0.37579143566675755
Energy: 0.3837702153672193

minimum gb energy = 0.3529579128298709 eV
minimum distance =  2.62338573400388 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.2546607471294664
Energy: 0.3101506734050384
Energy: 0.2720277414685054
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Energy: 0.2604031502922917
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Energy: 0.314714367551104
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Energy: 0.28414126167792586
Energy: 0.29326056957606506
Energy: 0.270387012839067
Energy: 0.2005271152136516
Energy: 0.2939688848457106
Energy: 0.271301062905751
Energy: 0.29478271932434563
Energy: 0.19168563693335702
Energy: 0.19665339973431775
Energy: 0.269776569282421
Energy: 0.3292299250043823
Energy: 0.2783079891657832
Energy: 0.19764869299712529
Energy: 0.19685752963524167
Energy: 0.2920394285322373
Energy: 0.3011762056558673
Energy: 0.29046986879498765
Energy: 0.28488813149382347
Energy: 0.2633652005893746
Energy: 0.29431710058128463
Energy: 0.2695604522308465
Energy: 0.2721633162976436
Energy: 0.24670354549749948
Energy: 0.26961909387796984
Energy: 0.2953271686780656
Energy: 0.2817192929606728
Energy: 0.28636416261207914
Energy: 0.25767160350091123
Energy: 0.2818012043465601
Energy: 0.27544485199065716
Energy: 0.2747197837093789
Energy: 0.2732747889979137
Energy: 0.197561275782585
Energy: 0.2723572446510388
Energy: 0.26898758459507704
Energy: 0.3163202140105251
Energy: 0.2566135614869015

minimum gb energy = 0.15759542448626138 eV
minimum distance =  2.67065213444581 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.3415708926812509
Energy: 0.3309765219569204
Energy: 0.3408318195939249
Energy: 0.3445047658096491
Energy: 0.3264438408609821
Energy: 0.32434054612256363
Energy: 0.3328444381344644
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Energy: 0.339484240227243
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Energy: 0.34319857312573476
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Energy: 0.3591577338264251
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Energy: 0.3278022188247526
Energy: 0.3454567093184587
Energy: 0.3358528796860126
Energy: 0.33962083145729854
Energy: 0.3326647637839685
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Energy: 0.36859617789979804
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Energy: 0.33827413934687084
Energy: 0.33150109435871566
Energy: 0.3433305041033738
Energy: 0.3306530615128795
Energy: 0.3362936803360505
Energy: 0.32867470625396455
Energy: 0.34148144148878173
Energy: 0.33011047949150607
Energy: 0.33102858568256016
Energy: 0.3367458559965851
Energy: 0.32856484218705734
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Energy: 0.33764088084757116
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Energy: 0.338413557040206
Energy: 0.3416792112100526
Energy: 0.3295519268249841
Energy: 0.3295340713203267
Energy: 0.335990656987729
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Energy: 0.335922585180729
Energy: 0.32832059924668705
Energy: 0.3352444543108521
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Energy: 0.3352726299397435
Energy: 0.33392922724826063
Energy: 0.3338561483867966
Energy: 0.33974450779708
Energy: 0.3457022822747741
Energy: 0.34303148338208556
Energy: 0.33703215298577727
Energy: 0.3307737793270169
Energy: 0.3414954304885148
Energy: 0.3463274298698559
Energy: 0.3291630371445344
Energy: 0.33323570797392266
Energy: 0.34284893800575533
Energy: 0.3353626761185255
Energy: 0.3311105344876044
Energy: 0.3276613269976775
Energy: 0.3314440120007465
Energy: 0.34458777421714404
Energy: 0.3343347775764599
Energy: 0.3350707756643174
Energy: 0.3310027744380527
Energy: 0.32993492303011157
Energy: 0.3484716972818045
Energy: 0.3446774874958174
Energy: 0.3324283845742955
Energy: 0.32731263130418964
Energy: 0.3301625606863371
Energy: 0.35324051207233337
Energy: 0.3415162135037274
Energy: 0.3350823459062665
Energy: 0.3351233365031208
Energy: 0.33289177787605595
Energy: 0.3458543951877989
Energy: 0.3394256948990227
Energy: 0.3254039033835845
Energy: 0.3237629148474223
Energy: 0.33273161201284834
Energy: 0.3391568773776078
Energy: 0.3465174921808411
Energy: 0.3300605897759712

minimum gb energy = 0.3237629148474223 eV
minimum distance =  2.60665715093559 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.6261156918357889
Energy: 0.43046041998485096
Energy: 0.4378617742814663
Energy: 0.4326369392316302
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Energy: 0.4302531443540857
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Energy: 0.44672999495332943
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Energy: 0.43089589813892964
Energy: 0.435325227045944
Energy: 0.4350297293246584
Energy: 0.4309872676279787
Energy: 0.43087186275171896
Energy: 0.44579028551658734
Energy: 0.4298251218450144
Energy: 0.43246477363229
Energy: 0.43109120224148834
Energy: 0.4307660726415663
Energy: 0.43693061714331166
Energy: 0.4298675346695816
Energy: 0.4368470295272575
Energy: 0.4450202879215878
Energy: 0.43259042853142127
Energy: 0.437254131449531
Energy: 0.42986007047206215
Energy: 0.43759675362055
Energy: 0.4456585818890199
Energy: 0.4336127411787028
Energy: 0.43327967768928816
Energy: 0.43104427522307154
Energy: 0.43006922637062217
Energy: 0.4371334443477401
Energy: 0.4246950021854028
Energy: 0.4311149054592964
Energy: 0.43671187411843
Energy: 0.4302158563323049
Energy: 0.4278727186670931
Energy: 0.4247312014123414
Energy: 0.4306098946970401
Energy: 0.4366617293389224
Energy: 0.4309362264496239
Energy: 0.43242458043900156
Energy: 0.4312189279548926
Energy: 0.4422199656286501
Energy: 0.4320768715543567
Energy: 0.4307798268013804
Energy: 0.43735877524986455
Energy: 0.43108231749880715
Energy: 0.44252238767898094
Energy: 0.4357594908135374
Energy: 0.4273002127854433
Energy: 0.42952719431807596
Energy: 0.430779256641531
Energy: 0.4304855351592767
Energy: 0.43206989663601053
Energy: 0.4400265194355935
Energy: 0.4292170760378413
Energy: 0.43108693024347394
Energy: 0.4422373236736155
Energy: 0.43145924632496807
Energy: 0.43865316598635373
Energy: 0.4296121335845136
Energy: 0.43501816029287105
Energy: 0.4332389189172694
Energy: 0.4302197572290482
Energy: 0.43552143861267656
Energy: 0.4298489842204385
Energy: 0.431313825044703
Energy: 0.4365715122238437
Energy: 0.43093433285224214
Energy: 0.4269566257976305
Energy: 0.43544991732358856
Energy: 0.43100923679365427
Energy: 0.4318234409312838
Energy: 0.43256665574795355
Energy: 0.4275949468539855
Energy: 0.4355754148989264
Energy: 0.4306792034677421
Energy: 0.43126761065691843
Energy: 0.4310920637982363

minimum gb energy = 0.4246950021854028 eV
minimum distance =  2.61703692904624 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.7305752593833346
Energy: 0.49128729746060207
Energy: 0.49956683198057483
Energy: 0.49986214151379554
Energy: 0.5017209027672979
Energy: 0.48783778886648993
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minimum gb energy = 0.48179759288412305 eV
minimum distance =  2.60106159351418 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.5083848870889448
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Energy: 0.4819515378957718
Energy: 0.4942400024182443
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Energy: 0.4872563077803695
Energy: 0.48568851862948004
Energy: 0.48607262413234503
Energy: 0.4830780877090702
Energy: 0.48946660992269586
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Energy: 0.4874581617951419
Energy: 0.49209502581177683
Energy: 0.496330594010835
Energy: 0.49079123655543394
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Energy: 0.49642578678431304
Energy: 0.49739231511694104
Energy: 0.4972345100437977
Energy: 0.4968496624581915
Energy: 0.4980991666188665
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Energy: 0.5190054204657759
Energy: 0.4872831134627552
Energy: 0.49672394098684874
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Energy: 0.4840768800907877
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Energy: 0.5021228049064735
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Energy: 0.4876269551433831
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Energy: 0.48908874804514674
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Energy: 0.487924593045481
Energy: 0.49031416187354027
Energy: 0.4808088750537192
Energy: 0.481201182631737
Energy: 0.4864320831934217
Energy: 0.484521748357837
Energy: 0.489332045965199
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Energy: 0.4824352559452503
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Energy: 0.4927185560501505
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Energy: 0.48154046308397735
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Energy: 0.48508679838224034
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Energy: 0.48230868020076756
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Energy: 0.4817174922232424
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Energy: 0.48522110986512235
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Energy: 0.4916993829267616
Energy: 0.4807981708641187
Energy: 0.4942474350026237
Energy: 0.4868483423295587
Energy: 0.4916631190305053
Energy: 0.49783692429752885
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Energy: 0.5022446687995445
Energy: 0.4875959679789441
Energy: 0.4913696811492508
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Energy: 0.48478011048494
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Energy: 0.4882950955147715
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Energy: 0.4712956778083807
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Energy: 0.4901321585509906
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Energy: 0.4710378628064175
Energy: 0.48780792035118475
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Energy: 0.49107200169098314
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Energy: 0.48352493144983755
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Energy: 0.5021471103850579
Energy: 0.4844623478605327
Energy: 0.47928610191361315
Energy: 0.49932547457616755
Energy: 0.4845064121064778
Energy: 0.4865162884261908
Energy: 0.49596294091963405
Energy: 0.4938587714769356
Energy: 0.48707924159791177
Energy: 0.47321085068568364
Energy: 0.49195688809686833
Energy: 0.486790988833849
Energy: 0.5001741250738688
Energy: 0.4877583595180783
Energy: 0.48034807803492513
Energy: 0.5094005715127351
Energy: 0.48143745715146813
Energy: 0.4811182548499733
Energy: 0.4998848637071811
Energy: 0.4949666592130921
Energy: 0.5051568203801814
Energy: 0.48176295731591506
Energy: 0.48489500055459533
Energy: 0.49514964650277965
Energy: 0.472805764290738
Energy: 0.4905337819139009
Energy: 0.48497026846746355
Energy: 0.4825828528813732
Energy: 0.4967726994694751
Energy: 0.48429408028700066
Energy: 0.4903637135967853
Energy: 0.4858122086329696
Energy: 0.4821512394165762
Energy: 0.4895318864113818
Energy: 0.4823170557104953
Energy: 0.49420276340879477
Energy: 0.4946791761436898
Energy: 0.49142088812641405
Energy: 0.48134359282471956
Energy: 0.4854576618115858
Energy: 0.48837557430364853
Energy: 0.49421465500858414
Energy: 0.4906583606685093
Energy: 0.48112623783635977
Energy: 0.48220110233685437
Energy: 0.48657516728506034
Energy: 0.49629334399423314
Energy: 0.5128479380168506
Energy: 0.4872932485224562
Energy: 0.49592597965860374
Energy: 0.49972711907931905
Energy: 0.49775782121786016
Energy: 0.5133628534692356
Energy: 0.48915471097785335
Energy: 0.49656606499333117
Energy: 0.48705739650642044
Energy: 0.49960772669512366
Energy: 0.5194767102559651
Energy: 0.4864313989780886
Energy: 0.49587003356828446
Energy: 0.48647937516200995
Energy: 0.4968762085621779
Energy: 0.5192950203628733
Energy: 0.4879648804394713
Energy: 0.49634565606614367
Energy: 0.47230831279157254
Energy: 0.4919943513878374
Energy: 0.48463502624718086
Energy: 0.48793644087833044
Energy: 0.49782142542750096
Energy: 0.4939097828209166
Energy: 0.49103481578766905
Energy: 0.483566191231944
Energy: 0.48718127184557813
Energy: 0.49313476071896933

minimum gb energy = 0.4710378628064175 eV
minimum distance =  2.57505042755592 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.4591498275828458
Energy: 0.46356119394424833
Energy: 0.5021347677623365
Energy: 0.4704804592818103
Energy: 0.46304087588333726
Energy: 0.45941439489816616
Energy: 0.47145059008786205
Energy: 0.5020919353276615
Energy: 0.47063306461230137
Energy: 0.4627628624855128
Energy: 0.4614389886034274
Energy: 0.46767733265909406
Energy: 0.46699823023362297
Energy: 0.4669529129407043
Energy: 0.4678608083339653
Energy: 0.49368854446942934
Energy: 0.46760250864860453
Energy: 0.46383332408849215
Energy: 0.4665009150348961
Energy: 0.46788334499999346
Energy: 0.4681419475444843
Energy: 0.46755666687835473
Energy: 0.4679466952449365
Energy: 0.4702915301173502
Energy: 0.4949197750784417
Energy: 0.46718086518624385
Energy: 0.46743006393318515
Energy: 0.46776155832057914
Energy: 0.5035757420353087
Energy: 0.49541863140845266
Energy: 0.5039827554605433
Energy: 0.46087515546727326
Energy: 0.46232781400310025
Energy: 0.4670107302394544
Energy: 0.5048691411114273
Energy: 0.5036184421128113
Energy: 0.4604283524530982
Energy: 0.4628394276226153
Energy: 0.4672942425031893
Energy: 0.4630086368970316
Energy: 0.4677795873166258
Energy: 0.4649021185702445
Energy: 0.46032291418081167
Energy: 0.4963839495897982
Energy: 0.47239637710800636
Energy: 0.4669996595904581
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Energy: 0.4607074017824055
Energy: 0.46808344872541235
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Energy: 0.46752406038567346
Energy: 0.5034707402921673
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Energy: 0.4673975129813101
Energy: 0.46320720106183594
Energy: 0.46774937078532536
Energy: 0.5023220116657527
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Energy: 0.46789844426599064
Energy: 0.46813315762141794
Energy: 0.4692889100741346
Energy: 0.4612856117815978
Energy: 0.46731707535200046
Energy: 0.4678012946838575
Energy: 0.4684073932458878
Energy: 0.46920295957311897
Energy: 0.4606935334349913
Energy: 0.46807670842357574
Energy: 0.46794318667234297
Energy: 0.46785351915586204
Energy: 0.4686410455741036
Energy: 0.49250761946504634
Energy: 0.4704284762450974
Energy: 0.4601716477687294
Energy: 0.46225774711798345
Energy: 0.4750922046770902
Energy: 0.4929815499595061
Energy: 0.469622979983195
Energy: 0.45997260044467103
Energy: 0.4624862433324698
Energy: 0.4673233265601778
Energy: 0.46353721508970913
Energy: 0.4676843995352659
Energy: 0.46166143541412513
Energy: 0.49577915674147566
Energy: 0.4673637521675413
Energy: 0.46664918438969455
Energy: 0.46731600685074
Energy: 0.46113232608968974
Energy: 0.4985867331938852
Energy: 0.46805766438714236
Energy: 0.4686109762711874
Energy: 0.4931760535778855
Energy: 0.5037694326073724
Energy: 0.47062053188742314
Energy: 0.4753581105263554
Energy: 0.4692856609153774
Energy: 0.493941737974443
Energy: 0.47689663969665047
Energy: 0.4679093119408494
Energy: 0.46140029114610287
Energy: 0.47497324609956604
Energy: 0.46652852471077505
Energy: 0.4684353550578826
Energy: 0.49670981588074664
Energy: 0.46132013264798655
Energy: 0.4729215040418476
Energy: 0.4606011131858082
Energy: 0.46932164600779475
Energy: 0.4959418619664851
Energy: 0.4592501290240321
Energy: 0.47032672849447454
Energy: 0.5023407989875768
Energy: 0.47127206864223353
Energy: 0.4631431108621204
Energy: 0.4596308546700074
Energy: 0.4714712479091666
Energy: 0.5035952694429627
Energy: 0.4705419894350514
Energy: 0.46258455567013756
Energy: 0.496010626077763
Energy: 0.46750671639883157
Energy: 0.46703103705911114
Energy: 0.46625036447778834
Energy: 0.46792907299195324
Energy: 0.4938441229941704
Energy: 0.4674323901039288
Energy: 0.46345825515527883
Energy: 0.4664666280770687
Energy: 0.4682431220428516
Energy: 0.4682939604893597
Energy: 0.46776345368900396
Energy: 0.4681156093032258
Energy: 0.5053064873328502
Energy: 0.4950388072896195
Energy: 0.4682390909454279
Energy: 0.46747114613767193
Energy: 0.4677198006852231
Energy: 0.5027752301356955
Energy: 0.49537128507600137
Energy: 0.5049437392655738
Energy: 0.46082099052210734
Energy: 0.46222594640187037
Energy: 0.4685023574874889
Energy: 0.5050179028208744
Energy: 0.5039377564298615
Energy: 0.46051419541818783
Energy: 0.4628503354457196
Energy: 0.46723084901900863
Energy: 0.495473797285165
Energy: 0.4680179308246622
Energy: 0.4649889945859373
Energy: 0.4602545078035705
Energy: 0.46868144778119064
Energy: 0.4700641038261704
Energy: 0.46703148398830013
Energy: 0.4635332425942002
Energy: 0.46066278897284063
Energy: 0.46807085356388134
Energy: 0.46783051312225665
Energy: 0.4675945546657482
Energy: 0.5035260430605635
Energy: 0.47207607722354367
Energy: 0.4672645525360729
Energy: 0.46302899947926246
Energy: 0.4677483438121551
Energy: 0.5026257280706548
Energy: 0.4711040231044616
Energy: 0.46777346652912966
Energy: 0.4683238020521724
Energy: 0.47052035303648415
Energy: 0.46125489463452657
Energy: 0.4676673807836918
Energy: 0.46814485947838663
Energy: 0.46880733609780945
Energy: 0.46940942855478557
Energy: 0.46061295286134935
Energy: 0.46833909749518404
Energy: 0.4679081352490545
Energy: 0.4681494010586369
Energy: 0.4690104247245537
Energy: 0.4925657961660176
Energy: 0.4710064268461651
Energy: 0.4601795539155862
Energy: 0.4623091353381771
Energy: 0.47574887885898426
Energy: 0.49265631297204154
Energy: 0.46980856694225304
Energy: 0.45999164694732203
Energy: 0.46253471281682035
Energy: 0.4675143225299551
Energy: 0.46389451876150173
Energy: 0.46756071772806873
Energy: 0.4616720143539753
Energy: 0.49617323285151455
Energy: 0.4673174279504761
Energy: 0.46663899743421045
Energy: 0.46763082942665213
Energy: 0.4612204196229449
Energy: 0.4680707357859222
Energy: 0.46790860294920894
Energy: 0.4683708004918153
Energy: 0.4929048591401045
Energy: 0.5038403498611369
Energy: 0.470040414565119
Energy: 0.4705966173033809
Energy: 0.46913874985992654
Energy: 0.4936220441686649
Energy: 0.4707784106472428
Energy: 0.4680991277390548
Energy: 0.4609646900123866
Energy: 0.4749166080869721
Energy: 0.4668029607360971
Energy: 0.4678748555150209
Energy: 0.496810081563996
Energy: 0.4612442245882312
Energy: 0.46936230793015343
Energy: 0.46059418444244216
Energy: 0.4686829042004935
Energy: 0.49558768973375117

minimum gb energy = 0.4591498275828458 eV
minimum distance =  2.59027319898448 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.7961208691253056
Energy: 0.5131694162014411
Energy: 0.516672994719205
Energy: 0.4860797631356859
Energy: 0.5232411851055307
Energy: 0.46760475465295204
Energy: 0.5101660170074002
Energy: 0.5089307100800787
Energy: 0.482394709713202
Energy: 0.5147045903354912
Energy: 0.4561616505961872
Energy: 0.4910747262164972
Energy: 0.48232235413733693
Energy: 0.4833923650527985
Energy: 0.4805678567668173
Energy: 0.4580008445971221
Energy: 0.49207351505064945
Energy: 0.4816162943833364
Energy: 0.4984689669720286
Energy: 0.47100722247637744
Energy: 0.5199298779595946
Energy: 0.48303000737320273
Energy: 0.46513941928132707
Energy: 0.4959450228432989
Energy: 0.47616026890207824
Energy: 0.5219037097587274
Energy: 0.49160448550105307
Energy: 0.4641386435429342
Energy: 0.49041673446361017
Energy: 0.5290766632497914
Energy: 0.4962714391295803
Energy: 0.4680262556691686
Energy: 0.4981796845580256
Energy: 0.5254334445411986
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Energy: 0.4857022072059186
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Energy: 0.5208467524900585
Energy: 0.5291157883302631
Energy: 0.528277716300288
Energy: 0.5020413103099958
Energy: 0.4630367928003203
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Energy: 0.5077313626187815
Energy: 0.5108316477892051
Energy: 0.5007954077769783
Energy: 0.4837664159239281
Energy: 0.4657049059883715
Energy: 0.456502623285395
Energy: 0.4574975482443256
Energy: 0.46482309777440983
Energy: 0.4648732951161458
Energy: 0.5106193397097053
Energy: 0.5686704961713904
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Energy: 0.4654276433441947
Energy: 0.4650916133966313
Energy: 0.5372926011225034
Energy: 0.6073284224412704
Energy: 0.4693271983548466
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Energy: 0.46589348381901546
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Energy: 0.5017947569893554
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Energy: 0.46461402959975057
Energy: 0.46555788537083687
Energy: 0.4730436047613962
Energy: 0.518406284809829
Energy: 0.4678590953705793
Energy: 0.4666363288896265
Energy: 0.4691783378293199
Energy: 0.4638540913860941
Energy: 0.5163773557220933
Energy: 0.4672532828119664
Energy: 0.46563527951552236
Energy: 0.48396678680583033
Energy: 0.49698169556711314
Energy: 0.5210390242634538
Energy: 0.46682879280326584
Energy: 0.5688452713774553
Energy: 0.5026110668840647
Energy: 0.49421770425528244
Energy: 0.47122626594840217
Energy: 0.46648562233935154
Energy: 0.5669264524776608
Energy: 0.49353876182771
Energy: 0.5235582299627255
Energy: 0.4701696521556309
Energy: 0.50700798372321
Energy: 0.4648802832505514
Energy: 0.47348875766333165
Energy: 0.4705634118643815
Energy: 0.4717768733793263
Energy: 0.4862551606662055
Energy: 0.4650609112858843
Energy: 0.4746944989764184
Energy: 0.4750067001753946
Energy: 0.4790896937227503
Energy: 0.5042970071759686
Energy: 0.4706989417126455
Energy: 0.4711902349416901
Energy: 0.4716441288979608
Energy: 0.4708144876394779
Energy: 0.49456869597047276
Energy: 0.4773647760711382
Energy: 0.471671482785644
Energy: 0.47494278347973645
Energy: 0.47375547961149583
Energy: 0.5389156026975278
Energy: 0.49926480750664093
Energy: 0.4694726646930378
Energy: 0.4584270503128474
Energy: 0.4943503058215189
Energy: 0.5384987259138729
Energy: 0.5017567237584597
Energy: 0.4577703279945481
Energy: 0.4578282386249149
Energy: 0.493470605343763
Energy: 0.5031972859571846
Energy: 0.5048260622743673
Energy: 0.46739793441375466
Energy: 0.4686615577339566
Energy: 0.4982989641607521
Energy: 0.5032186068907781
Energy: 0.5021823285869097
Energy: 0.46662625843550526
Energy: 0.4723514980437254
Energy: 0.5039298270909552
Energy: 0.48159116797460505
Energy: 0.5008712927390654
Energy: 0.5199085530998712
Energy: 0.5001471172004239
Energy: 0.4956283328927086
Energy: 0.4816010426944556
Energy: 0.501823229027816
Energy: 0.4531425859049553
Energy: 0.4969241255376687
Energy: 0.49508287238683263
Energy: 0.46565358068796314
Energy: 0.4985220687385493
Energy: 0.5317211794775972
Energy: 0.5252056643502213
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Energy: 0.47500485114274577
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Energy: 0.4971184697550279
Energy: 0.4656085464873535
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Energy: 0.4684739108821251
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Energy: 0.4682998462372889
Energy: 0.46573935252302107
Energy: 0.47857378431319064
Energy: 0.4733905834301004
Energy: 0.4663544131592385
Energy: 0.4688031031466289
Energy: 0.47038097899214654
Energy: 0.5114704930081019
Energy: 0.5014182083611276
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Energy: 0.46613000271754146
Energy: 0.49020940836556076
Energy: 0.5124844523977601
Energy: 0.49633398756085756
Energy: 0.46496596951025343
Energy: 0.46611028654183073
Energy: 0.5168796629986779
Energy: 0.46494152209223755
Energy: 0.4749978251871249
Energy: 0.4675077375477854
Energy: 0.5007424203053669
Energy: 0.49642545860770515
Energy: 0.4630834338251288
Energy: 0.4700332800004281
Energy: 0.47766433027798016
Energy: 0.5056305467861667
Energy: 0.4670296756486481
Energy: 0.46636939371757596
Energy: 0.5110297652804839
Energy: 0.5656808666687504
Energy: 0.46651224207423386
Energy: 0.45773998722845755
Energy: 0.45758446477469833
Energy: 0.5133489489684535
Energy: 0.567537398179386
Energy: 0.4669135934078762
Energy: 0.4731765935422636
Energy: 0.46881316768047027
Energy: 0.470801285280085
Energy: 0.46531439117342355
Energy: 0.4742203962350991
Energy: 0.47451972960414784
Energy: 0.4727218414062163
Energy: 0.47689415809035834
Energy: 0.46648770777205206
Energy: 0.4704815844883272
Energy: 0.4665955023107898
Energy: 0.4825844115433971
Energy: 0.5386142482162624
Energy: 0.5358922612554031
Energy: 0.5178910218893339
Energy: 0.458372417551458
Energy: 0.4857002925116454
Energy: 0.5384513827758579
Energy: 0.49823449778915824
Energy: 0.5322827005403803
Energy: 0.46688940260554745
Energy: 0.5395852763686633
Energy: 0.49709440217443807
Energy: 0.4644770463186609
Energy: 0.4539599319985318
Energy: 0.4674234420868479
Energy: 0.5033603986809162
Energy: 0.49442542016201785
Energy: 0.48753640108752166
Energy: 0.45759041690004876

minimum gb energy = 0.4531425859049553 eV
minimum distance =  2.56058284136399 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.6321013982660046
Energy: 0.44076158123266007
Energy: 0.4855030873645486
Energy: 0.46320957235389437
Energy: 0.4402587232886289
Energy: 0.6308305427171832
Energy: 0.4599135654670434
Energy: 0.4857659562845082
Energy: 0.4629195070795153
Energy: 0.5224436271460488
Energy: 0.42872217020626485
Energy: 0.4928140769508485
Energy: 0.4423629942281147
Energy: 0.5175675260032259
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Energy: 0.4301045117735965
Energy: 0.46456141615348484
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Energy: 0.4910912662604229
Energy: 0.4456377600976046
Energy: 0.47741500758208094
Energy: 0.48196409784985234
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Energy: 0.4903065569654855
Energy: 0.44657548443738304
Energy: 0.4795698109391119
Energy: 0.4453922339967421
Energy: 0.4469685587200684
Energy: 0.4465915228155572
Energy: 0.48148340611545387
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Energy: 0.48949391158424327
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Energy: 0.4332149022606586
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Energy: 0.6319281377848041
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Energy: 0.45229432221597504
Energy: 0.4474599922829752
Energy: 0.4774002574801774
Energy: 0.47441968249966987
Energy: 0.4741827634919242
Energy: 0.45353127689594885
Energy: 0.44723353160323315
Energy: 0.4851657757257863
Energy: 0.4313284451698861
Energy: 0.44495828587218267
Energy: 0.44629137744595754
Energy: 0.49171040391730547
Energy: 0.4814443363818516
Energy: 0.4299012348464947
Energy: 0.44506790216672776
Energy: 0.4459091016132039
Energy: 0.49133269162808946
Energy: 0.44457559524749585
Energy: 0.48859009754755967
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Energy: 0.4484258010899882
Energy: 0.44622949112135063
Energy: 0.4444476052721018
Energy: 0.4963988502237768
Energy: 0.4571610510581786
Energy: 0.450216026535898
Energy: 0.4459324319591136
Energy: 0.435474440977942
Energy: 0.44465489465022257
Energy: 0.43236367319046476
Energy: 0.43245751351746936
Energy: 0.46063887237828793
Energy: 0.4445160766796267
Energy: 0.4447532543326629
Energy: 0.4330145119996483
Energy: 0.43569808672387733
Energy: 0.4591304171888241
Energy: 0.4307433595830425
Energy: 0.430933678349742
Energy: 0.4333562508879796
Energy: 0.46248864737932033
Energy: 0.43073449928586766
Energy: 0.4306195936172612
Energy: 0.43013138477594115
Energy: 0.4572050015096392
Energy: 0.46266433462366946
Energy: 0.4475701627780411
Energy: 0.4327404631495034
Energy: 0.4320307130813577
Energy: 0.4325231029855139
Energy: 0.4807987170722903
Energy: 0.43146735174126766
Energy: 0.4313563493526187
Energy: 0.43332636510763567
Energy: 0.43321035142678177
Energy: 0.47881535843111533
Energy: 0.4312910102760261
Energy: 0.430473527739211
Energy: 0.4317911598549884
Energy: 0.4524885291435682
Energy: 0.4898380525897249
Energy: 0.4338871089833708
Energy: 0.4309504268924943
Energy: 0.43373641028054233
Energy: 0.4523422972533452
Energy: 0.4895960479010025
Energy: 0.43109740587703055
Energy: 0.4306219138991917
Energy: 0.4345662885191625
Energy: 0.49865228191389205
Energy: 0.4317277832577219
Energy: 0.4337932908020787
Energy: 0.5211280656479209
Energy: 0.45745940160613774
Energy: 0.5373766811008286
Energy: 0.4317148559495068
Energy: 0.4556325317475445

minimum gb energy = 0.42872217020626485 eV
minimum distance =  2.627562070566 Angstroms
sigma value = 33