Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
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=4.032073378562927
cohesive_energy=3.360270999181857
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011810764519131439
Energy: 0.1877921052064038
Energy: 0.1877921052075657
Energy: 0.011810764519131439
Energy: 0.1877921052075657
Energy: 0.1877921052075657
Energy: 0.011810764519131439
Energy: 0.1877921052064038
Energy: 0.1877921052075657
Energy: 0.011810764519131439
Energy: 0.1871143934086836
Energy: 0.012251375557994415
Energy: 0.7570954217304959
Energy: 0.1871143934086836
Energy: 0.012251375557994415
Energy: 0.7570954217304959
Energy: 0.18711439340752167
Energy: 0.012251375557994415
Energy: 0.7570954217304959
Energy: 0.1871143934086836
Energy: 0.7304210723265994
Energy: 0.012715500012654545
Energy: 0.17208809387864407
Energy: 0.786489079222903
Energy: 0.012715500012654545
Energy: 0.2939000577621498
Energy: 0.7322850816198097
Energy: 0.012715500012654545
Energy: 0.33480443117903597
Energy: 0.732285082422362
Energy: 0.18711439340752167
Energy: 0.757095421729334
Energy: 0.012251375557994415
Energy: 0.18711439340752167
Energy: 0.757095421729334
Energy: 0.012251375557994415
Energy: 0.18711439340752167
Energy: 0.757095421729334
Energy: 0.012251375557994415
Energy: 0.18711439340752167
Energy: 0.011810764519131439
Energy: 0.1877921052064038
Energy: 0.1877921052064038
Energy: 0.011810764519131439
Energy: 0.1877921052064038
Energy: 0.1877921052064038
Energy: 0.011810764519131439
Energy: 0.1877921052064038
Energy: 0.1877921052064038
Energy: 0.011810764519131439
Energy: 0.1871143934086836
Energy: 0.012251375559156348
Energy: 0.757095421729334
Energy: 0.18711439340752167
Energy: 0.012251375557994415
Energy: 0.757095421729334
Energy: 0.1871143934086836
Energy: 0.012251375559156348
Energy: 0.757095421729334
Energy: 0.18711439340752167
Energy: 0.2647113581184662
Energy: 0.24137094351149233
Energy: 0.012715500012654545
Energy: 0.3511849967795574
Energy: 0.012715500011492614
Energy: 0.012715500012654545
Energy: 0.732285081535015
Energy: 0.012715500012654545
Energy: 0.24118133431948252
Energy: 0.7322850824362789

minimum gb energy = 0.011810764519131439 eV
minimum distance =  2.61522675892844 Angstroms
sigma value = 3


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

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Energy: 0.6112434745642165
Energy: 0.5913341368758784
Energy: 0.44656060531813585
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Energy: 0.439203785516659
Energy: 0.5629539561671287
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Energy: 0.6112434745639318
Energy: 0.5913341368753092
Energy: 0.44656060532126657
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Energy: 0.5913341368744555
Energy: 0.44656060531955893
Energy: 0.6112434745633626
Energy: 0.5913341368755939
Energy: 0.44656060532041275
Energy: 0.5002674198682742
Energy: 0.43920378551694367
Energy: 0.5629539561668441
Energy: 0.5002674198785204
Energy: 0.4392037855118206
Energy: 0.5629539561645672
Energy: 0.5002674198702666
Energy: 0.4392037855143821
Energy: 0.5629539561668441
Energy: 0.5002674198813665
Energy: 0.5139603106484355
Energy: 0.5421473629451539
Energy: 0.5583189254561092
Energy: 0.5416069586673325
Energy: 0.5421473629431616
Energy: 0.5583189254737552
Energy: 0.513960310651851
Energy: 0.5421473629440153
Energy: 0.5583189254916601
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Energy: 0.6006310216564255
Energy: 0.6136326621779851
Energy: 0.4470319803269469
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Energy: 0.6136326621811159
Energy: 0.4470319803278008
Energy: 0.6006310216558562
Energy: 0.6136326621782697
Energy: 0.4470319803280854
Energy: 0.6006310216569947

minimum gb energy = 0.427384705620381 eV
minimum distance =  2.56021358744092 Angstroms
sigma value = 75


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

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Energy: 0.46648382088888896
Energy: 0.46632780528467654
Energy: 0.49163373890823847
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minimum gb energy = 0.45977783712540254 eV
minimum distance =  2.57075216239683 Angstroms
sigma value = 105


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

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Energy: 0.5094676547451188
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Energy: 0.539822214753685
Energy: 0.5162943676992342
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Energy: 0.46962303297358815
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Energy: 0.49100336835328096
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Energy: 0.5671832229358796
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Energy: 0.511470949868135
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Energy: 0.5118834489594043
Energy: 0.4982834041326358
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Energy: 0.511883448960971
Energy: 0.4925787923293651
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Energy: 0.4880758848491564
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Energy: 0.49103199400560177
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Energy: 0.4910319940074818
Energy: 0.4787943037076282
Energy: 0.5081551203927134
Energy: 0.49103199401013103
Energy: 0.47879430370512144
Energy: 0.4652045578328724
Energy: 0.5444323485938931
Energy: 0.5160398877060435
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Energy: 0.544432348596229
Energy: 0.5160398877069836
Energy: 0.46520455783099235
Energy: 0.544432348593124
Energy: 0.516039887709177
Energy: 0.4652045578327014
Energy: 0.4960801699119346
Energy: 0.5188117809486094
Energy: 0.47776852273008086
Energy: 0.49608016991022547
Energy: 0.5188113896095987
Energy: 0.47776852273008086
Energy: 0.49608016991022547
Energy: 0.5188117809500051
Energy: 0.47776852273227427
Energy: 0.4960801699094279
Energy: 0.479766225835905
Energy: 0.505943463613586
Energy: 0.537017455159281
Energy: 0.47976622583701595
Energy: 0.5059421789092524
Energy: 0.5370174551594519
Energy: 0.4797662258392094
Energy: 0.5059434636148396
Energy: 0.5370174551608476
Energy: 0.47976622583935186
Energy: 0.5075987011742258
Energy: 0.4860659608811656
Energy: 0.5017216244291954
Energy: 0.5075987011745392
Energy: 0.48606596088053894
Energy: 0.5017216244290245
Energy: 0.5075987011715767
Energy: 0.48606596088085224
Energy: 0.501721624428711
Energy: 0.5075987011717191
Energy: 0.47298080143392346
Energy: 0.5217619070043462
Energy: 0.4984030336307877
Energy: 0.47298080143190097
Energy: 0.5220758262628422
Energy: 0.49840303363124344
Energy: 0.47298080143190097
Energy: 0.5217619070090465
Energy: 0.49840303362967675
Energy: 0.4729808014334677
Energy: 0.518622722593207
Energy: 0.5130175045868778
Energy: 0.540221079052283
Energy: 0.5186227225936912
Energy: 0.5143141161695532
Energy: 0.5402210790541631
Energy: 0.5186227225896176
Energy: 0.5130175045854534
Energy: 0.5402210790551031
Energy: 0.5168401709033842
Energy: 0.5257591004319911
Energy: 0.46935978028264713
Energy: 0.527800164701546
Energy: 0.5257591004324471
Energy: 0.4693572943051008
Energy: 0.5278001646995234
Energy: 0.525759100433558
Energy: 0.46935978028139375
Energy: 0.5278001647023151
Energy: 0.5257591004304245

minimum gb energy = 0.46351056228997234 eV
minimum distance =  2.54070520538537 Angstroms
sigma value = 165


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

Energy: 0.445319949106109
Energy: 0.46381340787217795
Energy: 0.463750577000909
Energy: 0.44531994910826045
Energy: 0.46381340787271574
Energy: 0.46375057699824407
Energy: 0.445319949106109
Energy: 0.46381340787271574
Energy: 0.4637505769998577
Energy: 0.44531994910826045
Energy: 0.50376546183088
Energy: 0.44827653114834765
Energy: 0.521985711457863
Energy: 0.5037654618298042
Energy: 0.44827653115103705
Energy: 0.5219857114605523
Energy: 0.50376546183088
Energy: 0.44827653114996124
Energy: 0.5219857114540979
Energy: 0.5037654618287284
Energy: 0.44310288346823146
Energy: 0.444987795072209
Energy: 0.4307564545955363
Energy: 0.443102883470383
Energy: 0.4449877950797391
Energy: 0.43075645459284695
Energy: 0.44310288346823146
Energy: 0.4449877950738226
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Energy: 0.443102883470383
Energy: 0.49558154463371357
Energy: 0.5014807198409753
Energy: 0.4506084110798036
Energy: 0.4955815446347894
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Energy: 0.4955815446347894
Energy: 0.4344308664972475
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Energy: 0.4141932190043032
Energy: 0.44996703087151474
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Energy: 0.4783902539947197
Energy: 0.5119567761872882
Energy: 0.49739657856035774
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Energy: 0.4465015330596113
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Energy: 0.46252917229928864
Energy: 0.5609984938084704
Energy: 0.45295749526997975
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Energy: 0.46252917229928864
Energy: 0.5609984938084704
Energy: 0.45295749526997975
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Energy: 0.4783707172982962
Energy: 0.4944834962257504
Energy: 0.5118906425330875
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Energy: 0.494483496227364
Energy: 0.5118906425303981
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Energy: 0.5118906425320118
Energy: 0.4783707172982962
Energy: 0.4345098070810016
Energy: 0.4504368859974753
Energy: 0.4138610112788564
Energy: 0.4345098092148803
Energy: 0.4504368859996268
Energy: 0.4138610112767049
Energy: 0.43450980913045906
Energy: 0.450436885998551
Energy: 0.41386101127939423
Energy: 0.43450980714605947
Energy: 0.4955074009655161
Energy: 0.45060748634801695
Energy: 0.5014587959036458
Energy: 0.4955074009671297
Energy: 0.4506074863474791
Energy: 0.5014587959052594
Energy: 0.4955074009665918
Energy: 0.4506074863474791
Energy: 0.5014587959036458
Energy: 0.49550740096766754
Energy: 0.44300221915469856
Energy: 0.4306090925209747
Energy: 0.43556200909522236
Energy: 0.44300221915685006
Energy: 0.4306090925247398
Energy: 0.4355620090903816
Energy: 0.44300221915416077
Energy: 0.4306090925225882
Energy: 0.43556200911240983
Energy: 0.44300221915685006
Energy: 0.5043799808587717
Energy: 0.5223575851230999
Energy: 0.4478538753888885
Energy: 0.5043799808582338
Energy: 0.5223575851225621
Energy: 0.4478538753878128
Energy: 0.5043799808587717
Energy: 0.5223575851209484
Energy: 0.4478538753888885
Energy: 0.5043799808587717
Energy: 0.4453199491071847
Energy: 0.4638134078732536
Energy: 0.46375057699824407
Energy: 0.44531994910879835
Energy: 0.46381340787271574
Energy: 0.4637505769977062
Energy: 0.44531994910664685
Energy: 0.4638134078737915
Energy: 0.4637505769993198
Energy: 0.44531994910879835

minimum gb energy = 0.4138610112767049 eV
minimum distance =  2.63690452990877 Angstroms
sigma value = 41


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

Energy: 0.48594362783250583
Energy: 0.4301783122689666
Energy: 0.42161690075577657
Energy: 0.4523817644589539
Energy: 0.43017831226835945
Energy: 0.42161690076139224
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Energy: 0.5157679326012744
Energy: 0.4302276932731971
Energy: 0.4121483035681919
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Energy: 0.5157679325960383
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Energy: 0.4311948803170727
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Energy: 0.41814286972571096
Energy: 0.4256357676189286
Energy: 0.38757500780631915
Energy: 0.388995056326654
Energy: 0.40345833781425383
Energy: 0.38757500780654675
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Energy: 0.4035688528484685
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Energy: 0.388995056335419
Energy: 0.4034583378171755
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Energy: 0.3984571803379285
Energy: 0.4162010609464956
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Energy: 0.41620106094440873
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Energy: 0.41079599976621956
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Energy: 0.41997131156600415
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Energy: 0.4536452104562378
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Energy: 0.4536452104670896
Energy: 0.4128642812393788
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Energy: 0.4293323622296924
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Energy: 0.40681761197077027
Energy: 0.4063090787945539
Energy: 0.3922010879178663
Energy: 0.41202953127653796
Energy: 0.4040986175274754
Energy: 0.3882908260161026
Energy: 0.4120295312783971
Energy: 0.40405390902386873
Energy: 0.38829082601424336
Energy: 0.41202953127756237
Energy: 0.40409861752580584
Energy: 0.3882908260169373
Energy: 0.41202953127213643
Energy: 0.4170323868170753
Energy: 0.4027512063930516
Energy: 0.39020572129505376
Energy: 0.4170323868139639
Energy: 0.40281636707795987
Energy: 0.3902057212944087
Energy: 0.41703238681646815
Energy: 0.40275120639138207
Energy: 0.3902057212944087
Energy: 0.4170323868156334
Energy: 0.431378013958537
Energy: 0.4102616103110275
Energy: 0.39691720876862
Energy: 0.431378013963925
Energy: 0.40927963885382396
Energy: 0.39691720876968245
Energy: 0.4313780139647598
Energy: 0.40475121098599487
Energy: 0.3969172087721867
Energy: 0.43137801396039627

minimum gb energy = 0.37550652624395564 eV
minimum distance =  2.58473866705044 Angstroms
sigma value = 185


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

Energy: 0.33141258290984704
Energy: 0.23744274098597073
Energy: 0.23734961744696037
Energy: 0.18090694449060366
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Energy: 0.25457227192180804
Energy: 0.26143228641389354
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Energy: 0.2376174223088559
Energy: 0.25457227191858756
Energy: 0.2614322864171139
Energy: 0.23761742231108543
Energy: 0.2707402711896776
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Energy: 0.20070618968992684
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Energy: 0.24524755923391628
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Energy: 0.24611106052310958
Energy: 0.2535502146883392
Energy: 0.321473486434328
Energy: 0.24611106052385276
Energy: 0.24454996383059702

minimum gb energy = 0.18077807052761086 eV
minimum distance =  2.63788098415991 Angstroms
sigma value = 33


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

Energy: 0.38705001728700295
Energy: 0.39950502696871004
Energy: 0.399539322452398
Energy: 0.35517502084104036
Energy: 0.39950502696735013
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Energy: 0.4074990328271739
Energy: 0.4118391039909241
Energy: 0.36212400411407913

minimum gb energy = 0.33086141618942333 eV
minimum distance =  2.55933332927196 Angstroms
sigma value = 219


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

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Energy: 0.48815952286607084
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Energy: 0.49166201784390956
Energy: 0.5076658092086919
Energy: 0.48746994039815184
Energy: 0.4916620178448096
Energy: 0.507665809209592

minimum gb energy = 0.4022194291977831 eV
minimum distance =  2.61464892065918 Angstroms
sigma value = 15


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

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minimum gb energy = 0.47042448856178926 eV
minimum distance =  2.56524445461266 Angstroms
sigma value = 293


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

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Energy: 0.48145966256801076
Energy: 0.5384009383106501
Energy: 0.5566407339686256
Energy: 0.48145966256801076
Energy: 0.5377389138178592
Energy: 0.504422279378521
Energy: 0.528240369099695
Energy: 0.5377389138182659
Energy: 0.5044222793787244
Energy: 0.5282403690988817
Energy: 0.5377389138178592
Energy: 0.5044222793783179
Energy: 0.5282403690992884
Energy: 0.5377389138184692
Energy: 0.560677611013548
Energy: 0.5462053132048095
Energy: 0.48058668718368164
Energy: 0.5606776110119215
Energy: 0.5462053132046062
Energy: 0.48058668718225855
Energy: 0.560677611012328
Energy: 0.5462053132048095
Energy: 0.48058668718164865
Energy: 0.560677611012328
Energy: 0.493176137065806
Energy: 0.6292388631066196
Energy: 0.473764647697232
Energy: 0.49317613706560265
Energy: 0.629238863106823
Energy: 0.47376464769763854
Energy: 0.49317613706560265
Energy: 0.629238863106823
Energy: 0.4737646476974353
Energy: 0.493176137065806
Energy: 0.4756565774059384
Energy: 0.47504081684628924
Energy: 0.48062277835971556
Energy: 0.475656577406345
Energy: 0.47504081684669586
Energy: 0.4806227783589024
Energy: 0.4756565774051253
Energy: 0.4750408168464926
Energy: 0.48062277835971556
Energy: 0.4756565774059384
Energy: 0.5237949563632399
Energy: 0.5213752336204407
Energy: 0.48132275700731725
Energy: 0.5237949563638498
Energy: 0.5213752336204407
Energy: 0.4813227570077239
Energy: 0.5237949563650696
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Energy: 0.48132275700711397
Energy: 0.5237949563636465
Energy: 0.5002996136024768
Energy: 0.5545096071855029
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Energy: 0.5545096071848931
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Energy: 0.5002996136024768
Energy: 0.5545096071852996
Energy: 0.5543856034069654
Energy: 0.5002996136034933
Energy: 0.5238480527229475
Energy: 0.48132373186715394
Energy: 0.5213661312213703
Energy: 0.5238480527227443
Energy: 0.4813237318669506
Energy: 0.5213661312199472
Energy: 0.5238480527227443
Energy: 0.4813237318667474
Energy: 0.5213661312201506
Energy: 0.523848052721931
Energy: 0.4760438609918691
Energy: 0.48041805332687637
Energy: 0.4752276030201177
Energy: 0.47604386099064944
Energy: 0.48041805332646975
Energy: 0.4752276030197111
Energy: 0.47604386099105594
Energy: 0.4804180533270796
Energy: 0.47522760301991446
Energy: 0.4760438609914625
Energy: 0.4933575689516251
Energy: 0.4737374912737708
Energy: 0.629318813675626
Energy: 0.4933575689516251
Energy: 0.47373749127316084
Energy: 0.6293188136760326
Energy: 0.4933575689518284
Energy: 0.4737374912733642
Energy: 0.6293188136758292
Energy: 0.4933575689516251
Energy: 0.5601045801872305
Energy: 0.4806170593137032
Energy: 0.5462044348579156
Energy: 0.5601045801866207
Energy: 0.4806170593137032
Energy: 0.5462044348581189
Energy: 0.560104580186214
Energy: 0.48061705931349996
Energy: 0.5462044348579156
Energy: 0.5601045801864174
Energy: 0.5376962633912433
Energy: 0.5281610105870345
Energy: 0.504340132548949
Energy: 0.5376962633906335
Energy: 0.5281610105833751
Energy: 0.5043401325491522
Energy: 0.5376962633908368
Energy: 0.5281610105870345
Energy: 0.504340132548949
Energy: 0.5376962633906335
Energy: 0.48131516580604605
Energy: 0.5565229828415623
Energy: 0.5384609317544132
Energy: 0.48131516580563943
Energy: 0.5565229828403425
Energy: 0.538460931755633
Energy: 0.4813151658058427
Energy: 0.5565229828411558
Energy: 0.5384609317546166
Energy: 0.48131516580563943
Energy: 0.5346403329106543
Energy: 0.48723044688301836
Energy: 0.48723426293832783
Energy: 0.5346403329108576
Energy: 0.487230446882815
Energy: 0.48723426293771804
Energy: 0.534640332910451
Energy: 0.48723044688301836
Energy: 0.48723426293853117
Energy: 0.5346403329106543
Energy: 0.48145966256801076
Energy: 0.5384009383108533
Energy: 0.5566407339686256
Energy: 0.4814596625678074
Energy: 0.5384009383110566
Energy: 0.5566407339674058
Energy: 0.4814596625678074
Energy: 0.5384009383106501
Energy: 0.5566407339692354
Energy: 0.48145966256801076
Energy: 0.5377389138182659
Energy: 0.5044222793789277
Energy: 0.5282403691007114
Energy: 0.5377389138178592
Energy: 0.5044222793783179
Energy: 0.5282403690998981
Energy: 0.5377389138182659
Energy: 0.5044222793787244
Energy: 0.5282403690994916
Energy: 0.5377389138180626
Energy: 0.5606776110121248
Energy: 0.5462053132044029
Energy: 0.48058668718144537
Energy: 0.5606776110133446
Energy: 0.5462053132048095
Energy: 0.4805866871820553
Energy: 0.5606776110129379
Energy: 0.5462053132044029
Energy: 0.48058668718225855
Energy: 0.5606776110125313
Energy: 0.493176137065806
Energy: 0.6292388631066196
Energy: 0.4737646476978419
Energy: 0.4931761370660092
Energy: 0.629238863106823
Energy: 0.47376464769763854
Energy: 0.493176137065806
Energy: 0.629238863106823
Energy: 0.4737646476978419
Energy: 0.493176137065806

minimum gb energy = 0.4737374912719411 eV
minimum distance =  2.63671570044052 Angstroms
sigma value = 293


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

Energy: 0.48215840363150086
Energy: 0.48264448290618156
Energy: 0.48266080401671696
Energy: 0.4821584036326032
Energy: 0.4826444829072839
Energy: 0.48266080401781924
Energy: 0.4821584036318683
Energy: 0.4826444829058141
Energy: 0.48266080401781924
Energy: 0.4821584036326032
Energy: 0.4824679260046633
Energy: 0.48240845689635226
Energy: 0.4829869884969529
Energy: 0.4824679260039284
Energy: 0.48240845689635226
Energy: 0.482986988496218
Energy: 0.48246792600613303
Energy: 0.4824084568959848
Energy: 0.4829869884969529
Energy: 0.4824679260039284
Energy: 0.48219203266591065
Energy: 0.48241029602941066
Energy: 0.5284893245415538
Energy: 0.48219203266444094
Energy: 0.48241029603051294
Energy: 0.5290142051100621
Energy: 0.4821920326662781
Energy: 0.48241029603014546
Energy: 0.5278047373935553
Energy: 0.48219203266517574
Energy: 0.52782426933021
Energy: 0.48230983538740496
Energy: 0.48216024341867786
Energy: 0.5278707317377843
Energy: 0.4823098353892421
Energy: 0.48216024341794295
Energy: 0.5280140221739507
Energy: 0.48230983538813976
Energy: 0.48216024341794295
Energy: 0.5278223066342528
Energy: 0.48284422183042647
Energy: 0.48239836706435074
Energy: 0.4823675824101241
Energy: 0.48284422183042647
Energy: 0.48239836706508565
Energy: 0.48236758240975675
Energy: 0.48284422183079384
Energy: 0.48239836706435074
Energy: 0.48236758240975675
Energy: 0.48284422183005893
Energy: 0.4826444829058141
Energy: 0.48266080401855416
Energy: 0.4821584036329706
Energy: 0.482644482906549
Energy: 0.48266080401818673
Energy: 0.4821584036318683
Energy: 0.48264448290471174
Energy: 0.48266080401855416
Energy: 0.4821584036318683
Energy: 0.48264448290618156
Energy: 0.48240845689635226
Energy: 0.48298698849585053
Energy: 0.48246792600613303
Energy: 0.48240845689635226
Energy: 0.48298698849585053
Energy: 0.48246792600650046
Energy: 0.48240845689635226
Energy: 0.4829869884969529
Energy: 0.48246792600686783
Energy: 0.48240845689635226
Energy: 0.48241029603088037
Energy: 0.5281527132947773
Energy: 0.48219203266591065
Energy: 0.48241029602977803
Energy: 0.5279947326535399
Energy: 0.48219203266444094
Energy: 0.48241029603088037
Energy: 0.5283801937579664
Energy: 0.48219203266591065
Energy: 0.4824102960290431
Energy: 0.4823098353910793
Energy: 0.4821602434212499
Energy: 0.5277642905430582
Energy: 0.48230983538850725
Energy: 0.48216024341867786
Energy: 0.5277410276550526
Energy: 0.48230983538850725
Energy: 0.48216024342014757
Energy: 0.527627836689862
Energy: 0.4823098353888747
Energy: 0.48239836706508565
Energy: 0.4823675824079195
Energy: 0.4828442218326311
Energy: 0.48239836706435074
Energy: 0.4823675824351097
Energy: 0.4828442218333659
Energy: 0.482398367065453
Energy: 0.48236758241085903
Energy: 0.4828442218318962
Energy: 0.48239836706435074
Energy: 0.48266080401928907
Energy: 0.48215840363150086
Energy: 0.4826444829050793
Energy: 0.4826608040174518
Energy: 0.4821584036311334
Energy: 0.4826444829058141
Energy: 0.4826608040174518
Energy: 0.4821584036322357
Energy: 0.4826444829080187
Energy: 0.48266080401892153
Energy: 0.4829869884969529
Energy: 0.48246792600760274
Energy: 0.48240845689635226
Energy: 0.48298698849511573
Energy: 0.48246792600429583
Energy: 0.4824084568959848
Energy: 0.4829869884940134
Energy: 0.48246792600429583
Energy: 0.48240845689635226
Energy: 0.48298698849474825
Energy: 0.5278176068111861
Energy: 0.48219203266480837
Energy: 0.4824102960290431
Energy: 0.5279225931458565
Energy: 0.48219203266591065
Energy: 0.48241029602977803
Energy: 0.5282172801021693
Energy: 0.48219203266480837
Energy: 0.4824102960316152
Energy: 0.5284313488591237
Energy: 0.4821602434197801
Energy: 0.5277619051860618
Energy: 0.48230983538813976
Energy: 0.48216024341941266
Energy: 0.5279320310819712
Energy: 0.48230983538850725
Energy: 0.4821602434190453
Energy: 0.5279711008437847
Energy: 0.4823098353888747
Energy: 0.48216024342014757
Energy: 0.48236758241306366
Energy: 0.48284422182822184
Energy: 0.482398367065453
Energy: 0.4823675824101241
Energy: 0.48284422183226355
Energy: 0.48239836706435074
Energy: 0.48236758241159383
Energy: 0.4828442218285892
Energy: 0.48239836706508565
Energy: 0.4823675824086544
Energy: 0.4821584036322357
Energy: 0.48264448290691636
Energy: 0.48266080401965644
Energy: 0.4821584036318683
Energy: 0.48264448290691636
Energy: 0.4826608040174518
Energy: 0.4821584036318683
Energy: 0.48264448290618156
Energy: 0.48266080402002387
Energy: 0.4821584036322357
Energy: 0.48246792600429583
Energy: 0.48240845689635226
Energy: 0.48298698849511573
Energy: 0.48246792600650046
Energy: 0.48240845689635226
Energy: 0.4829869884969529
Energy: 0.48246792600613303
Energy: 0.48240845689635226
Energy: 0.4829869884969529
Energy: 0.48246792600613303
Energy: 0.48219203266591065
Energy: 0.48241029603088037
Energy: 0.5286085630014452
Energy: 0.48219203266444094
Energy: 0.48241029602941066
Energy: 0.5276548444275142
Energy: 0.4821920326662781
Energy: 0.48241029603014546
Energy: 0.5284465177625314
Energy: 0.48219203266444094
Energy: 0.5279406439878312
Energy: 0.4823098353896096
Energy: 0.48216024342088243
Energy: 0.5280220112225729
Energy: 0.4823098353892421
Energy: 0.48216024341794295
Energy: 0.5278142484870046
Energy: 0.48230983538813976
Energy: 0.4821602434183104
Energy: 0.5276189153501786
Energy: 0.48284422183042647
Energy: 0.48239836706435074
Energy: 0.48236758241122646
Energy: 0.4828442218333659
Energy: 0.48239836706508565
Energy: 0.48236758241269617
Energy: 0.48284422183042647
Energy: 0.48239836706435074
Energy: 0.4823675824119613
Energy: 0.48284422183152875
Energy: 0.48264448290691636
Energy: 0.48266080401818673
Energy: 0.4821584036318683
Energy: 0.48264448290691636
Energy: 0.4826608040207588
Energy: 0.4821584036318683
Energy: 0.48264448290618156
Energy: 0.48266080401928907
Energy: 0.4821584036322357
Energy: 0.48264448290691636
Energy: 0.48240845689635226
Energy: 0.48298698849585053
Energy: 0.4824679260053981
Energy: 0.48240845689635226
Energy: 0.4829869884954831
Energy: 0.4824679260072353
Energy: 0.48240845689635226
Energy: 0.48298698849585053
Energy: 0.4824679260053981
Energy: 0.4824084568959848

minimum gb energy = 0.4821584036311334 eV
minimum distance =  2.6100510494774 Angstroms
sigma value = 15


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

Energy: 0.5336250763230486
Energy: 0.578930284019103
Energy: 0.5470798092345839
Energy: 0.5215395985063164
Energy: 0.5789302840240996
Energy: 0.5470798092279217
Energy: 0.5336250763297109
Energy: 0.5789302840224342
Energy: 0.5470798092345839
Energy: 0.5215395985063164
Energy: 0.5509372354829153
Energy: 0.5145431637147095
Energy: 0.5294870539267766
Energy: 0.5509372354695905
Energy: 0.5145431637163752
Energy: 0.5294870539317733
Energy: 0.5509372354679251
Energy: 0.5145431637180408
Energy: 0.5294870539284421
Energy: 0.5509372354745873
Energy: 0.5211413866336483
Energy: 0.5272175503991678
Energy: 0.5792395898241627
Energy: 0.5211413866369794
Energy: 0.5272175503975024
Energy: 0.5792395898274938
Energy: 0.5211413866353138
Energy: 0.5272175503975024
Energy: 0.5792395898208316
Energy: 0.5211413866336483
Energy: 0.5039723185044346
Energy: 0.5271937714299221
Energy: 0.49863790906354166
Energy: 0.5039723185077658
Energy: 0.5271937714315875
Energy: 0.4986379090652072
Energy: 0.5039723185077658
Energy: 0.5271937714299221
Energy: 0.49863790906687283
Energy: 0.5039723185044346
Energy: 0.5387679755552799
Energy: 0.5152808539813087
Energy: 0.5778004298600619
Energy: 0.5387679755585806
Energy: 0.5152808539779776
Energy: 0.5778004298650586
Energy: 0.5387679755602462
Energy: 0.5152808539763121
Energy: 0.5778004298700553
Energy: 0.5387679755585806
Energy: 0.5246465182650559
Energy: 0.5780510562030834
Energy: 0.4982895656115429
Energy: 0.5246465182617248
Energy: 0.578051056204749
Energy: 0.49828956561320853
Energy: 0.5246465182617248
Energy: 0.5780510562030834
Energy: 0.4982895656198708
Energy: 0.5246465182600591
Energy: 0.5305861401961132
Energy: 0.5501480379611774
Energy: 0.5301331153227918
Energy: 0.5305238234610371
Energy: 0.5501480379611774
Energy: 0.5301331153227918
Energy: 0.5305861401894508
Energy: 0.5501480379628428
Energy: 0.5301331153211264
Energy: 0.5305238234593714
Energy: 0.5096231063026915
Energy: 0.5625666630436528
Energy: 0.5351812422287122
Energy: 0.5096231063043571
Energy: 0.5625666630469839
Energy: 0.5351812422320433
Energy: 0.5096231063026915
Energy: 0.5625666630453182
Energy: 0.5351812422353746
Energy: 0.509623106301026
Energy: 0.5941168959778519
Energy: 0.5234542823448836
Energy: 0.5244062176808566
Energy: 0.5941168959795174
Energy: 0.5171468737670961
Energy: 0.5168535819526556
Energy: 0.5941168959845141
Energy: 0.5234542823415523
Energy: 0.5244062176825223
Energy: 0.5941168959778519
Energy: 0.506519338503823
Energy: 0.5554918619950667
Energy: 0.5618403135985571
Energy: 0.5066576858356564
Energy: 0.555491862094941
Energy: 0.5591943755666287
Energy: 0.5065193385021575
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Energy: 0.5618403136018882
Energy: 0.5066576858306597
Energy: 0.5452866329142547
Energy: 0.5201767452185502
Energy: 0.5326305899767049
Energy: 0.5452866329109235
Energy: 0.5201767452202158
Energy: 0.5326305899750393
Energy: 0.5452866329092579
Energy: 0.520176745223547
Energy: 0.5326305899750393
Energy: 0.5452866329142547
Energy: 0.5478588391760625
Energy: 0.5011377534115747
Energy: 0.5744997772788957
Energy: 0.547858839177728
Energy: 0.5013867641064415
Energy: 0.57449977727723
Energy: 0.5478588391760625
Energy: 0.5011377534132404
Energy: 0.5744997772805612
Energy: 0.547858839177728
Energy: 0.5537603700070249
Energy: 0.49828147490175984
Energy: 0.5380661200021235
Energy: 0.5537603700036938
Energy: 0.4982814749000942
Energy: 0.5380661200071203
Energy: 0.5537603700036938
Energy: 0.49828147490506075
Energy: 0.5380661200087858
Energy: 0.553760370000393
Energy: 0.4966112700117809
Energy: 0.5038537017584632
Energy: 0.5953910510219133
Energy: 0.4966112700067842
Energy: 0.5038537017651255
Energy: 0.5953910510252445
Energy: 0.4966112700101153
Energy: 0.5038537017601288
Energy: 0.5953910510302411
Energy: 0.4966112700101153
Energy: 0.5385876279035834
Energy: 0.5910488760769625
Energy: 0.5096888257567193
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Energy: 0.5910488760769625
Energy: 0.5096924682976202
Energy: 0.5385876279002524
Energy: 0.5910488760786281
Energy: 0.509688825753388
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Energy: 0.5063012000666937
Energy: 0.5732125420572864
Energy: 0.5515756948934201
Energy: 0.5063012000666937
Energy: 0.573212542055621
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Energy: 0.5063012000650281
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Energy: 0.5250374000457363
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Energy: 0.5513387152893634
Energy: 0.5250410618754665
Energy: 0.5878066137880774
Energy: 0.551338715291029
Energy: 0.5250374000523986
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Energy: 0.5513387152943602
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Energy: 0.5588791544861756
Energy: 0.5271815421095495
Energy: 0.5277794495613064
Energy: 0.5588791544895068
Energy: 0.5271815421045527
Energy: 0.5277794495646375
Energy: 0.5588791544845101
Energy: 0.527181542102887
Energy: 0.5277794495646375
Energy: 0.5588791544828445
Energy: 0.5033622507327651
Energy: 0.5739485460228045
Energy: 0.5265067955040879
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Energy: 0.5516214403343238
Energy: 0.5063723239718181
Energy: 0.5163880482929291
Energy: 0.5516214403309926
Energy: 0.506372323980146
Energy: 0.5163880482929291
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Energy: 0.5063723239784804
Energy: 0.5163880482912635
Energy: 0.5516214403309926
Energy: 0.5215842547361672
Energy: 0.5153804658942216
Energy: 0.5594591174500178
Energy: 0.5215842547311705
Energy: 0.5153804659025495
Energy: 0.5594591174516834
Energy: 0.5215842547361672
Energy: 0.5153804658992183
Energy: 0.5594591174500178
Energy: 0.5215842547361672
Energy: 0.5234554556462099
Energy: 0.6329093482689929
Energy: 0.5018367288533212
Energy: 0.5234554556495411
Energy: 0.6329093482756551
Energy: 0.5018367288549868
Energy: 0.5234554556478754
Energy: 0.6329093482739896
Energy: 0.5018367288549868
Energy: 0.5234554556478754
Energy: 0.5314076780691521
Energy: 0.5278880130983074
Energy: 0.532686645632126
Energy: 0.5314120182577842
Energy: 0.5277242062481788
Energy: 0.532686645628795
Energy: 0.5314076780691521
Energy: 0.5278880130983074
Energy: 0.5326866456354572
Energy: 0.5314120182627808
Energy: 0.5032359849819552
Energy: 0.55521253142535
Energy: 0.5031917029928885
Energy: 0.5032359849769585
Energy: 0.55521253142535
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Energy: 0.5032359849802895
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Energy: 0.5288990260645094
Energy: 0.5361410945608978
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Energy: 0.5288990260628439
Energy: 0.5109760606450611
Energy: 0.585076947018728
Energy: 0.5352381523672136
Energy: 0.5108594659195934
Energy: 0.5850769470137314
Energy: 0.5520465349081152
Energy: 0.5109760606433956
Energy: 0.5850769470120658
Energy: 0.5352381523672136
Energy: 0.510859465921259
Energy: 0.5453815262944911
Energy: 0.4970621868143018
Energy: 0.5333200883854989
Energy: 0.5453815262911599
Energy: 0.49706218681593717
Energy: 0.5333200883821677
Energy: 0.5453815262944911
Energy: 0.49706218681926834
Energy: 0.5333200883871645
Energy: 0.5453815262944911
Energy: 0.5747857103373986
Energy: 0.5663440206035469
Energy: 0.5724253715389198
Energy: 0.574785710335733
Energy: 0.5663440206018814
Energy: 0.5724253715355886
Energy: 0.574785710335733
Energy: 0.5663440205985503
Energy: 0.5724253715422509
Energy: 0.5747857103340674
Energy: 0.5539405747812582
Energy: 0.4958508237799167
Energy: 0.5255443435716611
Energy: 0.5533924248973722
Energy: 0.4958742022886504
Energy: 0.5255443435716611
Energy: 0.5539405747812582
Energy: 0.495850823786579
Energy: 0.5255443435749921
Energy: 0.5533924249007032
Energy: 0.5346460132916493
Energy: 0.5091795091078829
Energy: 0.5496489020083694
Energy: 0.5346460132866828
Energy: 0.5091795091062173
Energy: 0.5496489020083694
Energy: 0.5346460132883485
Energy: 0.5091795091095486
Energy: 0.5496489020133661
Energy: 0.5346460132916493
Energy: 0.5814204534676569
Energy: 0.5597012125202024
Energy: 0.506605909379873
Energy: 0.58142045346266
Energy: 0.5597012125202024
Energy: 0.506619476347744
Energy: 0.5814204534643257
Energy: 0.5597012125152057
Energy: 0.5066059093865353
Energy: 0.58142045346266
Energy: 0.5012137658653606
Energy: 0.54401561853444
Energy: 0.5508362259176246
Energy: 0.5012137658686918
Energy: 0.5440156185294434
Energy: 0.5508362259209558
Energy: 0.5012137658703575
Energy: 0.5440156185377713
Energy: 0.5508362259176246
Energy: 0.5012137658653606
Energy: 0.5347059332299691
Energy: 0.5462607674737546
Energy: 0.5213308412768314
Energy: 0.521606721077305
Energy: 0.5462607674770857
Energy: 0.5213308412834937
Energy: 0.5347059332316347
Energy: 0.5462607674787513
Energy: 0.5213308412784969
Energy: 0.521606721077305
Energy: 0.5346565499296833
Energy: 0.5742023902025302
Energy: 0.5458611859213829
Energy: 0.5216005639643088
Energy: 0.5742023902041956
Energy: 0.543563402638216
Energy: 0.5346565499280177
Energy: 0.5742023901975334
Energy: 0.5458611859163862
Energy: 0.5216005639626432
Energy: 0.5036602712853395
Energy: 0.6347591958358426
Energy: 0.542705454189693
Energy: 0.5036602712836739
Energy: 0.6347591958425051
Energy: 0.5427054541963553
Energy: 0.5036602712853395
Energy: 0.6347591958375082
Energy: 0.5427054541913585
Energy: 0.5036602712853395
Energy: 0.5856258368239541
Energy: 0.5062453798657706
Energy: 0.5929675047941655
Energy: 0.5856258368189573
Energy: 0.5062453798607738
Energy: 0.5929675047891989
Energy: 0.585625836820623
Energy: 0.5062453798591082
Energy: 0.5929675047974966
Energy: 0.5856258368222884
Energy: 0.5369081719592771
Energy: 0.5481563675100096
Energy: 0.5066699152713778
Energy: 0.5369081719626083
Energy: 0.5481563675133407
Energy: 0.5069002421071459
Energy: 0.5369081719609426
Energy: 0.548156367508344
Energy: 0.5066699152747091
Energy: 0.5369081719576116
Energy: 0.5978143474548905
Energy: 0.5281856937372587
Energy: 0.501594851713199
Energy: 0.597814347456556
Energy: 0.5281856937355931
Energy: 0.5015948517082022
Energy: 0.5978143474582216
Energy: 0.5281856937355931
Energy: 0.5015948517115334
Energy: 0.5978143474548905
Energy: 0.5502589858985746
Energy: 0.5503098040442251
Energy: 0.5388107960342717
Energy: 0.550258985896909
Energy: 0.5503098040458906
Energy: 0.538810796037603
Energy: 0.5502589858935778
Energy: 0.5503098040442251
Energy: 0.5388107960359374
Energy: 0.5502589859019057
Energy: 0.5839316282841659
Energy: 0.5294068607993216
Energy: 0.5042268500264991
Energy: 0.5839316282924938
Energy: 0.5294068607993216
Energy: 0.5042268500281647
Energy: 0.5839316282891626
Energy: 0.5294068607993216
Energy: 0.5042268500215024
Energy: 0.5839316282908282
Energy: 0.5081406777175848
Energy: 0.5591874136081102
Energy: 0.5401422684706383
Energy: 0.5081406777159192
Energy: 0.5591874136081102
Energy: 0.5401422684623104
Energy: 0.5081406777175848
Energy: 0.5591874136081102
Energy: 0.5401422684606447
Energy: 0.5081406777175848
Energy: 0.5472886401590695
Energy: 0.528929020211837
Energy: 0.522661756734584
Energy: 0.5472886401590695
Energy: 0.5232033576568536
Energy: 0.5160865259445515
Energy: 0.5472886401590695
Energy: 0.5289290202135025
Energy: 0.522661756734584
Energy: 0.5472886401590695
Energy: 0.6233362464603692
Energy: 0.4978177746462124
Energy: 0.5420570840531205
Energy: 0.6233362464587038
Energy: 0.49781777464787796
Energy: 0.5420570840514548
Energy: 0.6233362464520414
Energy: 0.4978177746462124
Energy: 0.5420570840514548
Energy: 0.6233362464537069
Energy: 0.5294656813212523
Energy: 0.5667662880511188
Energy: 0.5275661383965772
Energy: 0.5294656813229179
Energy: 0.5667662880527845
Energy: 0.5275661383999083
Energy: 0.5294656813245835
Energy: 0.5667662880477877
Energy: 0.5275661383982428
Energy: 0.5294656813129244
Energy: 0.5558492670244183
Energy: 0.4962558489847878
Energy: 0.6217700895840653
Energy: 0.5558492670277495
Energy: 0.4962592954758546
Energy: 0.6217700895840653
Energy: 0.5558492670327462
Energy: 0.49625584898145664
Energy: 0.6217700895857309
Energy: 0.5558492670260838
Energy: 0.5710159996687231
Energy: 0.5185358462921698
Energy: 0.5487013802474429
Energy: 0.5710159996720543
Energy: 0.5185358462905043
Energy: 0.5487013802507739
Energy: 0.5710159996737199
Energy: 0.5185358462888386
Energy: 0.5487013802524395
Energy: 0.5710159996720543
Energy: 0.5524326557576826
Energy: 0.532205465280976
Energy: 0.5156384348057809
Energy: 0.5524326557576826
Energy: 0.5322054652776448
Energy: 0.5155527439105558
Energy: 0.5524326557610137
Energy: 0.5322054652793105
Energy: 0.5156384348007841
Energy: 0.5524326557610137
Energy: 0.5034649473480116
Energy: 0.5176711161959365
Energy: 0.5447853766687785
Energy: 0.5034649473446805
Energy: 0.5176711161976021
Energy: 0.5447853766671129
Energy: 0.5034649473496772
Energy: 0.5176711161992678
Energy: 0.5447853766604506
Energy: 0.5034649473513427
Energy: 0.5223718442082735
Energy: 0.547309580728003
Energy: 0.5672845292138061
Energy: 0.5224585636247859
Energy: 0.547309580728003
Energy: 0.5672845292171373
Energy: 0.5223718442116048
Energy: 0.5473095807296685
Energy: 0.5672845292171373
Energy: 0.5224585636247859

minimum gb energy = 0.4958508237799167 eV
minimum distance =  2.57649025033532 Angstroms
sigma value = 437


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

Energy: 0.5080450426565691
Energy: 0.5365360771934123
Energy: 0.5365023466566995
Energy: 0.5080450426565691
Energy: 0.5365360771946257
Energy: 0.5365023466560926
Energy: 0.5080450426577827
Energy: 0.5365360771934123
Energy: 0.5365023466573062
Energy: 0.5080450426565691
Energy: 0.5841689564082003
Energy: 0.5003240075262664
Energy: 0.5517421125113438
Energy: 0.5841689564088071
Energy: 0.5003240075244458
Energy: 0.551742112510737
Energy: 0.5841689564082003
Energy: 0.5003240075262664
Energy: 0.551742112510737
Energy: 0.5841689564082003
Energy: 0.5724949067663228
Energy: 0.4911495687015629
Energy: 0.5737018586363634
Energy: 0.5688255551647567
Energy: 0.4911495687009561
Energy: 0.6075889546569131
Energy: 0.5642310214085505
Energy: 0.4911495687015629
Energy: 0.6075889546575198
Energy: 0.5642310214091574
Energy: 0.539801343790031
Energy: 0.5678492926298231
Energy: 0.5424270525462349
Energy: 0.5398013437912447
Energy: 0.5678492926292161
Energy: 0.5424270525450212
Energy: 0.539801343790031
Energy: 0.5678492926298231
Energy: 0.5424270525462349
Energy: 0.5398013437918514
Energy: 0.5523087478663835
Energy: 0.5084468294229323
Energy: 0.6070239490277543
Energy: 0.5523087478718447
Energy: 0.5084468294223254
Energy: 0.6070239490277543
Energy: 0.5523087478700244
Energy: 0.5084468294229323
Energy: 0.6070239490265407
Energy: 0.5523087478694175
Energy: 0.5477641779750501
Energy: 0.5450146357180858
Energy: 0.49939388783356525
Energy: 0.547764177972016
Energy: 0.5450146357168721
Energy: 0.4993938878341721
Energy: 0.5477641779744431
Energy: 0.5450146357180858
Energy: 0.49939388783356525
Energy: 0.5477641779726228
Energy: 0.5607232264213117
Energy: 0.5144437491660822
Energy: 0.49102192336417205
Energy: 0.5607232264194913
Energy: 0.5336304605639041
Energy: 0.4910219233623517
Energy: 0.5607232264219184
Energy: 0.533630460561477
Energy: 0.4910219233635652
Energy: 0.5607232264194913
Energy: 0.5317707162514989
Energy: 0.5970006227366247
Energy: 0.5354181940279434
Energy: 0.5317707162508921
Energy: 0.5970006227372314
Energy: 0.535418194029157
Energy: 0.5317707162514989
Energy: 0.5970006227366247
Energy: 0.5354181940279434
Energy: 0.5317707162508921
Energy: 0.6591548483220442
Energy: 0.5531086028814307
Energy: 0.5086362362396003
Energy: 0.6591548483226509
Energy: 0.553108602880824
Energy: 0.5086362362389935
Energy: 0.6591548483214372
Energy: 0.5531086028814307
Energy: 0.5086362362396003
Energy: 0.6591548483220442
Energy: 0.536724470341083
Energy: 0.5535740151352766
Energy: 0.5560475824178415
Energy: 0.53672447034351
Energy: 0.5535740151346698
Energy: 0.5560475824081327
Energy: 0.5367244703416897
Energy: 0.5535740151352766
Energy: 0.5560475824075258
Energy: 0.5367244703429033
Energy: 0.5250049715607714
Energy: 0.49799165070545165
Energy: 0.5603290951359595
Energy: 0.5250049715595579
Energy: 0.49799165070484486
Energy: 0.5651999773334297
Energy: 0.5250049715601647
Energy: 0.49799165070545165
Energy: 0.5651999773340365
Energy: 0.5250049715601647
Energy: 0.5801732237842673
Energy: 0.5005945247143717
Energy: 0.5426346978875989
Energy: 0.5801732237842673
Energy: 0.5005945247155853
Energy: 0.542634697886992
Energy: 0.5801732237842673
Energy: 0.5005945247143717
Energy: 0.5426346978882056
Energy: 0.5801732237842673
Energy: 0.507994218289476
Energy: 0.5762962322037917
Energy: 0.508298207706398
Energy: 0.507994218289476
Energy: 0.5762962322037917
Energy: 0.508298207706398
Energy: 0.507994218289476
Energy: 0.5762962322213888
Energy: 0.508298207706398
Energy: 0.5079942182888693
Energy: 0.6138505371370577
Energy: 0.5155375687236358
Energy: 0.5364063153799252
Energy: 0.6138505371364511
Energy: 0.5155375687242425
Energy: 0.5364063153847797
Energy: 0.6138505371370577
Energy: 0.5155375687248492
Energy: 0.5364063153817457
Energy: 0.6138505371370577

minimum gb energy = 0.4910219233623517 eV
minimum distance =  2.57429671013254 Angstroms
sigma value = 33