Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499994456768045
cohesive_energy=3.299025747576126
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.061233718112 eV

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

Energy: 0.01244480373211825
Energy: 0.20450583336760417
Energy: 0.5496520901385126
Energy: 0.20451493856623135
Energy: 0.012444803731710233
Energy: 0.20450583336719616
Energy: 0.23976217792971782
Energy: 0.23933214366909059
Energy: 0.012801933541722647
Energy: 0.11206627803207357
Energy: 0.012867950569388928
Energy: 0.23933214366909059
Energy: 0.012801933541926656
Energy: 0.11206627803168821
Energy: 0.01244480373211825
Energy: 0.20450583336760417
Energy: 0.5496520901389206
Energy: 0.20451493856602734
Energy: 0.012444803731710233
Energy: 0.20450583336699216
Energy: 0.23976217792971782
Energy: 0.23933214366890926
Energy: 0.012801933541518639
Energy: 0.11206627803207357
Energy: 0.012867950569592937
Energy: 0.23933214366929464
Energy: 0.012801933541926656
Energy: 0.11206627803168821
Energy: 0.01244480373211825
Energy: 0.20450583336780817
Energy: 0.5849663719738774
Energy: 0.2045149385658233
Energy: 0.012444803731710233
Energy: 0.20450583336699216
Energy: 0.2397621779295138
Energy: 0.23933214366890926
Energy: 0.012801933541722647
Energy: 0.11206627803207357
Energy: 0.012867950569388928
Energy: 0.23933214366929464
Energy: 0.012801933541926656
Energy: 0.11206627803168821

minimum gb energy = 0.012444803731710233 eV
minimum distance =  2.83654002779331 Angstroms
sigma value = 5


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

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Energy: 0.5826965360265054
Energy: 0.6287197587590662
Energy: 0.5834089840638217
Energy: 0.571713789907921
Energy: 0.5826965360191944
Energy: 0.6255926229798677
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Energy: 0.5393081581748936
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Energy: 0.5607542037901533
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Energy: 0.5289278769939924
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Energy: 0.5289278769915554
Energy: 0.6029084545286565
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Energy: 0.5453804817348568
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Energy: 0.5270191322704086
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Energy: 0.5453804817348568
Energy: 0.5828010718107342
Energy: 0.5097503202099255
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Energy: 0.5410092782225409
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Energy: 0.5568973779289987
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Energy: 0.5494073291545111
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Energy: 0.5948569792067889
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Energy: 0.534754565863697
Energy: 0.5874778477802787
Energy: 0.530096967886008
Energy: 0.5323295424574404
Energy: 0.5347545658661339
Energy: 0.5874778477802787
Energy: 0.5703859197135508
Energy: 0.522485607503592
Energy: 0.564488377252176
Energy: 0.5385389223751638
Energy: 0.5703859197062399
Energy: 0.5224856075109029
Energy: 0.5644883772424283
Energy: 0.5349980143971624
Energy: 0.5174058368564729
Energy: 0.5887105615251454
Energy: 0.5313892365061017
Energy: 0.5349980143971624
Energy: 0.51740583685891
Energy: 0.5887105615227085
Energy: 0.4997676719999384
Energy: 0.5130108264619851
Energy: 0.5982936448305245
Energy: 0.5235020277981715
Energy: 0.49976767199262745
Energy: 0.5130108264595482
Energy: 0.5982936448378355
Energy: 0.5104640872552048
Energy: 0.5439939818258998
Energy: 0.6130639687388758
Energy: 0.5618163057378379
Energy: 0.5104640872576418
Energy: 0.5439939818307736
Energy: 0.6130639687413129
Energy: 0.5031193619859252
Energy: 0.5402860407130671
Energy: 0.5522488143342831
Energy: 0.5192188929494514
Energy: 0.5031193619810513
Energy: 0.5402860407179411
Energy: 0.55224881433672

minimum gb energy = 0.49976767199262745 eV
minimum distance =  2.5168908715373 Angstroms
sigma value = 401


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

Energy: 0.5632094769386243
Energy: 0.5262401183187718
Energy: 0.622768617387965
Energy: 0.5242452389752944
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Energy: 0.5831358121453727
Energy: 0.5222097406261704
Energy: 0.521684047921186
Energy: 0.569551358643783
Energy: 0.5326103353680602
Energy: 0.52220974062866
Energy: 0.5216840479200794
Energy: 0.5695513586399102
Energy: 0.5139762969746533
Energy: 0.5262172677728468
Energy: 0.5437020272032278
Energy: 0.524365228709291
Energy: 0.5139762969835052
Energy: 0.5262172677761663
Energy: 0.5437020272032278
Energy: 0.5234213098866074
Energy: 0.5463274850454972
Energy: 0.5746875398511221
Energy: 0.5209632216277171
Energy: 0.5234213098852242
Energy: 0.5463274850466038
Energy: 0.574687539853335
Energy: 0.5216483650966636
Energy: 0.5481577192307967
Energy: 0.5879540549437059
Energy: 0.521394137217127
Energy: 0.5216483650997064
Energy: 0.548157719228307
Energy: 0.5879540549387268
Energy: 0.5101795115743677
Energy: 0.5160923155270593
Energy: 0.6048403663427507
Energy: 0.5284030881021666
Energy: 0.5101795115707967
Energy: 0.5160923155292721
Energy: 0.6048403663496662
Energy: 0.5254378944811153
Energy: 0.5173798382038753
Energy: 0.6099755250683359
Energy: 0.5279360242551043
Energy: 0.5254378944869245
Energy: 0.5173798382030455
Energy: 0.6099755250735666
Energy: 0.5279783147789309
Energy: 0.5262401183193252
Energy: 0.6280288986367542
Energy: 0.5242452389733581
Energy: 0.5279783147745049
Energy: 0.5262401183204316
Energy: 0.6280288986409034
Energy: 0.5130314945733351
Energy: 0.5179635988245506
Energy: 0.6199565107277325
Energy: 0.5229524849847367
Energy: 0.5130314945725051
Energy: 0.5179635988281467
Energy: 0.6199565107313286

minimum gb energy = 0.5098189918189926 eV
minimum distance =  2.5331862745719 Angstroms
sigma value = 311


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

Energy: 0.5733930289441453
Energy: 0.5250385171528841
Energy: 0.5873166777921673
Energy: 0.5250391934529621
Energy: 0.5733930289428678
Energy: 0.5250385171525647
Energy: 0.5822983139556378
Energy: 0.5617372723226806
Energy: 0.5285310778188427
Energy: 0.5945636825874433
Energy: 0.547485254549098
Energy: 0.5617372723233195
Energy: 0.5285310778188427
Energy: 0.5945636825858462
Energy: 0.5353916482547975
Energy: 0.5437900282309027
Energy: 0.5942070174447406
Energy: 0.5378627173210384
Energy: 0.5353916482554363
Energy: 0.5437900282280279
Energy: 0.6013248408825902
Energy: 0.536961380056706
Energy: 0.5225783272728793
Energy: 0.6120596881769982
Energy: 0.5189017808496107
Energy: 0.5369613800538313
Energy: 0.5225783272731988
Energy: 0.6120596881754012
Energy: 0.5455360711947645
Energy: 0.5284594249767011
Energy: 0.6237669645956828
Energy: 0.5372632033847623
Energy: 0.5455360711928482
Energy: 0.5284594249760622
Energy: 0.6128461604139434
Energy: 0.5378177294681391
Energy: 0.5339894600945692
Energy: 0.6083823850772396
Energy: 0.5510610613777551
Energy: 0.5378177294700556
Energy: 0.5339894600948886
Energy: 0.608382385075323
Energy: 0.551519096225715
Energy: 0.567080364298973
Energy: 0.5931276280840395
Energy: 0.5382431641797029
Energy: 0.5515190962241179
Energy: 0.5670803643015283
Energy: 0.5956430062396514
Energy: 0.5401587594051933
Energy: 0.5341528740271818
Energy: 0.6265466445641253
Energy: 0.5245463245653466
Energy: 0.5401587594048738
Energy: 0.5341528740271818
Energy: 0.6265466445619039
Energy: 0.5382245269790599
Energy: 0.5242889477415772
Energy: 0.6309581870129505
Energy: 0.5260024467784167
Energy: 0.5382245269793793
Energy: 0.5242889477409384
Energy: 0.6469876159329073
Energy: 0.5267486792414113
Energy: 0.5475311372427528
Energy: 0.619903300959322
Energy: 0.5664519717774429
Energy: 0.5267486792452444
Energy: 0.5475311372427528
Energy: 0.6199033009602802
Energy: 0.5590214803282403
Energy: 0.5514171932871542
Energy: 0.5880324711518253
Energy: 0.5248086594616707
Energy: 0.5590214803269627
Energy: 0.5514171932868348
Energy: 0.5880324711495893
Energy: 0.5459956827408693
Energy: 0.5457609922395261
Energy: 0.5935182378950272
Energy: 0.5326739663768655
Energy: 0.5459956827418275
Energy: 0.5457609922395261
Energy: 0.593518237895666
Energy: 0.5414136390017236
Energy: 0.5277228467154342
Energy: 0.5972152731253616
Energy: 0.5227685190146965
Energy: 0.5414136390026818
Energy: 0.5277228467154342
Energy: 0.5972152731244033
Energy: 0.5283984363996068
Energy: 0.5412323726577101
Energy: 0.6232809561264964
Energy: 0.5420420073366874
Energy: 0.5283984363957883
Energy: 0.541232372656447
Energy: 0.6232809561280933
Energy: 0.5358793200112929
Energy: 0.5229528156795127
Energy: 0.5972076859278572
Energy: 0.5199228252113515
Energy: 0.5358793200122512
Energy: 0.522952815678235
Energy: 0.597207685926899
Energy: 0.5459825652148196
Energy: 0.5325664448300581
Energy: 0.5936556042918172
Energy: 0.5457780610882269
Energy: 0.5459825652138613
Energy: 0.5325664448287805
Energy: 0.5936556042940531
Energy: 0.5590055901357713
Energy: 0.5306947825397568
Energy: 0.5879544784347954
Energy: 0.5469764657926923
Energy: 0.5590055901376879
Energy: 0.530694782540715
Energy: 0.5879544784354341
Energy: 0.5302770308610469
Energy: 0.5681269752036772
Energy: 0.6168476303164983
Energy: 0.5475287125529801
Energy: 0.5302770308607275
Energy: 0.5681269752030383
Energy: 0.6168476303145817
Energy: 0.541022763671161
Energy: 0.5262079933880246
Energy: 0.6185933285365204
Energy: 0.5242975494370965
Energy: 0.5410227636733969
Energy: 0.5262079933886634
Energy: 0.6185933285336457
Energy: 0.5397570434815254
Energy: 0.5245386419164157
Energy: 0.6266275704513704
Energy: 0.5342391921180532
Energy: 0.5397570434821642
Energy: 0.524538641911639
Energy: 0.6266275704504121
Energy: 0.5500599310731493
Energy: 0.5382359709342981
Energy: 0.5765594661087365
Energy: 0.5661344858826206
Energy: 0.5500599310741076
Energy: 0.5382359709323815
Energy: 0.5765594661071395
Energy: 0.5378862881537052
Energy: 0.5502788795444807
Energy: 0.6083627598523536
Energy: 0.5250031888424455
Energy: 0.5378862881517887
Energy: 0.5502788795448001
Energy: 0.6083627598504371
Energy: 0.5454442051412179
Energy: 0.5373001707099048
Energy: 0.573903100827421
Energy: 0.5285352880165969
Energy: 0.5454442051408986
Energy: 0.5373001707115019
Energy: 0.5739031008296568
Energy: 0.5406460776447327
Energy: 0.5369386499695034
Energy: 0.6119135046680138
Energy: 0.5225013305749233
Energy: 0.5406460776434552
Energy: 0.5369386499701422
Energy: 0.6119135046673749
Energy: 0.5352722967436364
Energy: 0.5365522476970177
Energy: 0.6049349136011468
Energy: 0.5454041316497297
Energy: 0.5352722967455529
Energy: 0.5365522476960594
Energy: 0.6049349136014662
Energy: 0.5553927921327085
Energy: 0.5476008132132736
Energy: 0.5945336331253422
Energy: 0.5262780447336722
Energy: 0.555392792134625
Energy: 0.5476008132151756
Energy: 0.5945336331266053
Energy: 0.573393028943826
Energy: 0.525038517151287
Energy: 0.6232879446557258
Energy: 0.5250391934516845
Energy: 0.5733930289422289
Energy: 0.5250385171506482
Energy: 0.6232879446554063
Energy: 0.5553824987195853
Energy: 0.5285310778188427
Energy: 0.5945636825839297
Energy: 0.547847706541428
Energy: 0.5553824987163912
Energy: 0.5285310778178843
Energy: 0.5945636825893598
Energy: 0.5353916482560751
Energy: 0.5437900282280279
Energy: 0.6196079533531019
Energy: 0.53670777802653
Energy: 0.5353916482551169
Energy: 0.5437900282321803
Energy: 0.6196079533531019
Energy: 0.5369613800547895
Energy: 0.5225783272725599
Energy: 0.6120596881750818
Energy: 0.5189017808499301
Energy: 0.5369613800579838
Energy: 0.5225783272747958
Energy: 0.6120596881763595
Energy: 0.5455360711902928
Energy: 0.5284594249776594
Energy: 0.6198806610659047
Energy: 0.5372632033863595
Energy: 0.5455360711922093
Energy: 0.5284594249757428
Energy: 0.6198806610690988
Energy: 0.5468793562103922
Energy: 0.5249849537534785
Energy: 0.6083823850756426
Energy: 0.5510610613787134
Energy: 0.5468793562081563
Energy: 0.5249849537470903
Energy: 0.608382385075323
Energy: 0.5515190962241179
Energy: 0.5670803643021672
Energy: 0.595643006241568
Energy: 0.5382431641793834
Energy: 0.5515190962263538
Energy: 0.5670803642999314
Energy: 0.595643006243165
Energy: 0.5401587594048738
Energy: 0.5341528740268625
Energy: 0.6265466445603068
Energy: 0.524546324565666
Energy: 0.5401587594029574
Energy: 0.534152874026543
Energy: 0.6265466445628477
Energy: 0.5382245269812959
Energy: 0.529249822237783
Energy: 0.6406406972515277
Energy: 0.5260024467755564
Energy: 0.5382245269816153
Energy: 0.5292498222403385
Energy: 0.6406406972496113
Energy: 0.5267486792410919
Energy: 0.5475311372398781
Energy: 0.616823183794445
Energy: 0.5664519717771235
Energy: 0.5267486792433279
Energy: 0.5475311372427528
Energy: 0.6168231837934869

minimum gb energy = 0.5189017808496107 eV
minimum distance =  2.57482953545082 Angstroms
sigma value = 39


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

Energy: 0.5314434055891515
Energy: 0.5314506060539161
Energy: 0.6231103882104541
Energy: 0.5314374063355524
Energy: 0.5314434055868897
Energy: 0.531450606041099
Energy: 0.5417938710205138
Energy: 0.524248804571307
Energy: 0.5364328619905919
Energy: 0.5352827497946938
Energy: 0.5364608260094165
Energy: 0.5242488045671603
Energy: 0.5364328619883301
Energy: 0.5352827497977097
Energy: 0.5313317574251206
Energy: 0.515632064517364
Energy: 0.5561372857124213
Energy: 0.519042319697726
Energy: 0.5313317574239896
Energy: 0.51563206451661
Energy: 0.5518899204863433
Energy: 0.5421004240307844
Energy: 0.5365467495392177
Energy: 0.5351917025290315
Energy: 0.5538289635899316
Energy: 0.5421004240326692
Energy: 0.5365467495452493
Energy: 0.5351917025309164
Energy: 0.5555515530992097
Energy: 0.5176752837948179
Energy: 0.5166828964214284
Energy: 0.5192451258941909
Energy: 0.5555515531041103
Energy: 0.5176752838004725
Energy: 0.518536140866822
Energy: 0.5421857568489189
Energy: 0.5543836207983502
Energy: 0.5940711475601641
Energy: 0.5521889554229387
Energy: 0.5421857568485419
Energy: 0.5543836207945806
Energy: 0.5940711475639339
Energy: 0.5847493161953825
Energy: 0.5181100965171962
Energy: 0.5395402726639712
Energy: 0.5183626614853681
Energy: 0.5847493161938746
Energy: 0.5181100965122956
Energy: 0.5408639143993912
Energy: 0.5416821884809829
Energy: 0.541966936925847
Energy: 0.572952075025496
Energy: 0.5419656985710387
Energy: 0.5416821884839987
Energy: 0.5419669369160457
Energy: 0.5729520750198415
Energy: 0.5847279316479393
Energy: 0.5175230247661086
Energy: 0.5819739961722716
Energy: 0.5180990588773463
Energy: 0.5847279316453006
Energy: 0.5175230247653546
Energy: 0.5449525234902239
Energy: 0.5421570250976872
Energy: 0.5520997738160205
Energy: 0.5941081023228828
Energy: 0.5543752810858258
Energy: 0.5421570250942944
Energy: 0.5520997738171515
Energy: 0.5941081023228828
Energy: 0.5555838806187845
Energy: 0.5193216347144793
Energy: 0.578712950616425
Energy: 0.5175706577007808
Energy: 0.5555838806101142
Energy: 0.5193216347163642
Energy: 0.5787129506190638
Energy: 0.5421014431607657
Energy: 0.5538102564968861
Energy: 0.5351743783279564
Energy: 0.536540655971158
Energy: 0.5421014431622736
Energy: 0.5538102564976399
Energy: 0.5351743783249406
Energy: 0.5313883700539052
Energy: 0.5191029731121558
Energy: 0.5359702843920031
Energy: 0.5155791564303324
Energy: 0.5313883700606906
Energy: 0.5191029731181873
Energy: 0.5359702843946419
Energy: 0.5242680144447986
Energy: 0.5364518421052761
Energy: 0.5352571909678853
Energy: 0.5364241335723603
Energy: 0.524268014441029
Energy: 0.5364518421079147
Energy: 0.5352571909614767
Energy: 0.5314434055880206
Energy: 0.5314506060539161
Energy: 0.5417938710257915
Energy: 0.5314374063359293
Energy: 0.5314434055872667
Energy: 0.5314506060422299
Energy: 0.5417938710205138
Energy: 0.524248804571307
Energy: 0.5364328619894609
Energy: 0.535282749795448
Energy: 0.5364608260082856
Energy: 0.5242488045664063
Energy: 0.5364328619871991
Energy: 0.5352827497980867
Energy: 0.5313317574251206
Energy: 0.5156320645177409
Energy: 0.5518899204874742
Energy: 0.5190423196973489
Energy: 0.5313317574239896
Energy: 0.5156320645181178
Energy: 0.5518899204867203
Energy: 0.5421004240296535
Energy: 0.5365467495403486
Energy: 0.5351917025279006
Energy: 0.5538289635891775
Energy: 0.5421004240334232
Energy: 0.5365467495456263
Energy: 0.5351917025297854
Energy: 0.5555515530988328
Energy: 0.5176752837959487
Energy: 0.5185361408687068
Energy: 0.519245125894568
Energy: 0.5555515531037334
Energy: 0.5176752838016033
Energy: 0.518536140866822
Energy: 0.5421857568492958
Energy: 0.5543836207968424
Energy: 0.5940711475597872
Energy: 0.5521889554252004
Energy: 0.5421857568492958
Energy: 0.5543836207942037
Energy: 0.5940711475628029
Energy: 0.5847493161965135
Energy: 0.5181100965164422
Energy: 0.5353668228869728
Energy: 0.5183626614880069
Energy: 0.5847493161934977
Energy: 0.5181100965122956
Energy: 0.5353668228862188
Energy: 0.5416821884806059
Energy: 0.5419669369243391
Energy: 0.5729520750262501
Energy: 0.5419656985702848
Energy: 0.5416821884836217
Energy: 0.5419669369160457
Energy: 0.5729520750198415
Energy: 0.5847279316471854
Energy: 0.5175230247657315
Energy: 0.5392311018337387
Energy: 0.5180990588765925
Energy: 0.5847279316460545
Energy: 0.5175230247642237
Energy: 0.5392311018360004
Energy: 0.5421570250965563
Energy: 0.5520997738171515
Energy: 0.5941081023240137
Energy: 0.5543752810854489
Energy: 0.5421570250935405
Energy: 0.5520997738182823
Energy: 0.5941081023243906
Energy: 0.5555838806172767
Energy: 0.5193216347141024
Energy: 0.5736420393680984
Energy: 0.5175706577022887
Energy: 0.5555838806101142
Energy: 0.5193216347152332
Energy: 0.5736420393680984
Energy: 0.5421014431607657
Energy: 0.553810256496132
Energy: 0.5351743783279564
Energy: 0.5365406559719118
Energy: 0.5421014431603887
Energy: 0.5538102564987709
Energy: 0.5351743783256947
Energy: 0.5313883700539052
Energy: 0.5191029731136636
Energy: 0.535970284393888
Energy: 0.5155791564310864
Energy: 0.5313883700588058
Energy: 0.5191029731200721
Energy: 0.5359702843965268
Energy: 0.5242680144459296
Energy: 0.5364518421071608
Energy: 0.5352571909663774
Energy: 0.5364241335700983
Energy: 0.5242680144432909
Energy: 0.5364518421071608
Energy: 0.5352571909629846
Energy: 0.5314434055887746
Energy: 0.5314506060535391
Energy: 0.541793871019006
Energy: 0.5314374063355524
Energy: 0.5314434055868897
Energy: 0.531450606041099
Energy: 0.541793871019006
Energy: 0.5242488045709299
Energy: 0.5364328619905919
Energy: 0.5352827497946938
Energy: 0.5364608260097934
Energy: 0.5242488045671603
Energy: 0.5364328619879531
Energy: 0.5352827497977097

minimum gb energy = 0.5155791564303324 eV
minimum distance =  2.58251914962877 Angstroms
sigma value = 21


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

Energy: 0.5556864157745469
Energy: 0.5775742493365401
Energy: 0.5800232191024769
Energy: 0.5809327489498145
Energy: 0.5556864157759198
Energy: 0.5775742493356248
Energy: 0.5806667190403116
Energy: 0.5240250419752179
Energy: 0.5116246463808858
Energy: 0.5747426082213041
Energy: 0.5344220987132942
Energy: 0.5240250419747603
Energy: 0.5116246463849836
Energy: 0.5747426082213041
Energy: 0.5160821281050896
Energy: 0.5355527149543469
Energy: 0.5743894173786607
Energy: 0.5463408522653788
Energy: 0.5160821281055472
Energy: 0.5355527149534315
Energy: 0.5835707283760999
Energy: 0.5385617831928167
Energy: 0.5120217480930686
Energy: 0.6032296895421438
Energy: 0.5120920396238148
Energy: 0.5385617831946472
Energy: 0.5120217480944416
Energy: 0.6032296895416861
Energy: 0.5228682372150544
Energy: 0.5444966708525548
Energy: 0.5234443648338005
Energy: 0.5412023453518015
Energy: 0.522868237215512
Energy: 0.5444966708525548
Energy: 0.5234443648356311
Energy: 0.5324147320713769
Energy: 0.5142403243782403
Energy: 0.536294579262849
Energy: 0.5274970543220403
Energy: 0.5324147320727498
Energy: 0.5142403243777827
Energy: 0.5362945792655948
Energy: 0.5498897353021558
Energy: 0.5412694560515646
Energy: 0.5606164287482411
Energy: 0.5375671420589989
Energy: 0.5498897353035287
Energy: 0.5412694560524798
Energy: 0.5606164287459531
Energy: 0.5317148532566627
Energy: 0.5105727965325766
Energy: 0.5358884921068833
Energy: 0.5377437958938618
Energy: 0.5317148532580356
Energy: 0.5105727965316613
Energy: 0.5358884921068833
Energy: 0.5497334562860643
Energy: 0.5255808117778061
Energy: 0.5403679313595532
Energy: 0.5233049327074875
Energy: 0.549733456286522
Energy: 0.5255808117782637
Energy: 0.5403679313604685
Energy: 0.5320535127635632
Energy: 0.5116847648353585
Energy: 0.572653772359715
Energy: 0.5628733128988492
Energy: 0.5320535127626688
Energy: 0.511684764833528
Energy: 0.5726537723578846
Energy: 0.5484403183097508
Energy: 0.5247435822640455
Energy: 0.5589691037491206
Energy: 0.5216069155573815
Energy: 0.5484403183083779
Energy: 0.5247435822649607
Energy: 0.5589691037509511
Energy: 0.5018235473111282
Energy: 0.5259414298750135
Energy: 0.5346755471783519
Energy: 0.5584288952383785
Energy: 0.5018235473115858
Energy: 0.5259414298722677
Energy: 0.5346755471792671
Energy: 0.5548300369283862
Energy: 0.5239742756122879
Energy: 0.538248850466727
Energy: 0.5156674861131774
Energy: 0.5548300369288438
Energy: 0.5239742756118304
Energy: 0.5382488504680998
Energy: 0.4867591025264864
Energy: 0.5427091408942973
Energy: 0.5390575038730361
Energy: 0.5638520268512408
Energy: 0.4867591025255712
Energy: 0.5427091408933821
Energy: 0.5390575038776123
Energy: 0.5508545164025975
Energy: 0.510391069378419
Energy: 0.536528906626486
Energy: 0.5263875515665325
Energy: 0.5508545164044281
Energy: 0.5103910693793343
Energy: 0.536528906626486
Energy: 0.5062845286106182
Energy: 0.556539018761308
Energy: 0.5332147808203462
Energy: 0.5505729179234118
Energy: 0.5062845286092454
Energy: 0.5565390187617656
Energy: 0.5332147808189733
Energy: 0.529841061521892
Energy: 0.5091299457913605
Energy: 0.5303157619067475
Energy: 0.5216916326304288
Energy: 0.5298410615205191
Energy: 0.5091299457904452
Energy: 0.5303157619067475
Energy: 0.48246148823303386
Energy: 0.5336278162515966
Energy: 0.5234801962234721
Energy: 0.5344699555518891
Energy: 0.4824614882293728
Energy: 0.5336278162538847
Energy: 0.5234801962239296
Energy: 0.53034155099429
Energy: 0.49285655834212627
Energy: 0.5269668665643036
Energy: 0.49929849606056753
Energy: 0.5303415509947477
Energy: 0.4928565583425839
Energy: 0.5269668665643036
Energy: 0.48253688915749293
Energy: 0.5268537757358543
Energy: 0.5298327245850258
Energy: 0.5336970738796373
Energy: 0.4825368891570353
Energy: 0.5268537757363119
Energy: 0.5298327245863987
Energy: 0.5284024960957447
Energy: 0.5083934461325909
Energy: 0.5156609338243188
Energy: 0.5091226957488678
Energy: 0.52840249609666
Energy: 0.5083934461321331
Energy: 0.5156609338229459
Energy: 0.4825142683696243
Energy: 0.5362861042628146
Energy: 0.5278867650528123
Energy: 0.52017049642445
Energy: 0.48251426836825134
Energy: 0.5362861042623571
Energy: 0.5278867650546427
Energy: 0.5504003307592498
Energy: 0.5088818465041385
Energy: 0.5600051955181722
Energy: 0.5148147022651635
Energy: 0.5504003307597073
Energy: 0.5088818465055113
Energy: 0.5600051955167992
Energy: 0.48248943818170914
Energy: 0.5498319771839086
Energy: 0.5371426765721576
Energy: 0.5564951727180707
Energy: 0.48248943818262435
Energy: 0.5498319771857392
Energy: 0.537142676569412
Energy: 0.5514682385956837
Energy: 0.5090319036306067
Energy: 0.5499677117579266
Energy: 0.5508027980756296
Energy: 0.5514682385952261
Energy: 0.509031903629234
Energy: 0.5499677117565746

minimum gb energy = 0.4824614882293728 eV
minimum distance =  2.56464386184817 Angstroms
sigma value = 113


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

Energy: 0.5319705188601356
Energy: 0.5642651336491921
Energy: 0.6077036425058219
Energy: 0.5642723703570127
Energy: 0.5319705188601356
Energy: 0.5642651336514675
Energy: 0.6294174480269076
Energy: 0.5581621115048684
Energy: 0.5446436905249046
Energy: 0.6156819774401868
Energy: 0.544497325084345
Energy: 0.5581621114994817
Energy: 0.5446436905218398
Energy: 0.615681977433825
Energy: 0.5327257007198033
Energy: 0.5425409090766721
Energy: 0.6206816179549971
Energy: 0.5458570713473382
Energy: 0.5327257007211036
Energy: 0.5425409090725857
Energy: 0.620681617947335
Energy: 0.5079284802471434
Energy: 0.5460544892435679
Energy: 0.621730537479105
Energy: 0.5538603021507753
Energy: 0.5079284802438463
Energy: 0.5460544892394815
Energy: 0.6217305374918751
Energy: 0.5529395573276552
Energy: 0.5103998464522211
Energy: 0.5938148614959186
Energy: 0.5177193830838734
Energy: 0.5529395573317416
Energy: 0.5103998464417729
Energy: 0.5938148615022804
Energy: 0.5077090481012033
Energy: 0.5276504878240964
Energy: 0.5831510928603888
Energy: 0.5145916506167028
Energy: 0.5077090480979063
Energy: 0.5276504878322692
Energy: 0.5831510928588562
Energy: 0.5234074523858262
Energy: 0.5102293123377241
Energy: 0.5951754804668143
Energy: 0.5279110382643354
Energy: 0.5234074523980855
Energy: 0.5102293123323838
Energy: 0.5951754804627281
Energy: 0.5073168759737704
Energy: 0.5190082644987686
Energy: 0.6072528136066194
Energy: 0.5178148752677086
Energy: 0.5073168759791571
Energy: 0.519008264506152
Energy: 0.6072528136119596
Energy: 0.5234959933593711
Energy: 0.5145083283884101
Energy: 0.5681987996034308
Energy: 0.5099385310987674
Energy: 0.5234959933555633
Energy: 0.5145083283751293
Energy: 0.5681987995957688
Energy: 0.5013554910565002
Energy: 0.5294699569455008
Energy: 0.635231058760311
Energy: 0.5253658885240561
Energy: 0.5013554910542247
Energy: 0.5294699569276227
Energy: 0.635231058760311
Energy: 0.5234882946219319
Energy: 0.5164729845872031
Energy: 0.608801758968604
Energy: 0.5110685552739139
Energy: 0.5234882946165916
Energy: 0.5164729845899892
Energy: 0.5817124573122042
Energy: 0.500407551712029
Energy: 0.5191305149738965
Energy: 0.6186429797200539
Energy: 0.5272169290634601
Energy: 0.5004075517135614
Energy: 0.5191305149685098
Energy: 0.6186429797190325
Energy: 0.541043980963604
Energy: 0.538183531233803
Energy: 0.6156149068745731
Energy: 0.522242361290005
Energy: 0.5410439809551989
Energy: 0.5381835312297166
Energy: 0.6115600890759295
Energy: 0.5401225893259137
Energy: 0.5594007776236156
Energy: 0.6181203221904799
Energy: 0.5549131362987709
Energy: 0.5401225893083142
Energy: 0.5594007776157213
Energy: 0.6181203221950772
Energy: 0.5408187330601417
Energy: 0.5418783336128119
Energy: 0.613223449008478
Energy: 0.5523113797488418
Energy: 0.540818733066225
Energy: 0.541878333620474
Energy: 0.613223449004113
Energy: 0.5402090307940625
Energy: 0.516302042199423
Energy: 0.6169773217330059
Energy: 0.5296510754023186
Energy: 0.5402090308024675
Energy: 0.5163020421851204
Energy: 0.6169773217319842
Energy: 0.5570823208669805
Energy: 0.538226676584548
Energy: 0.5937467644721411
Energy: 0.5228725689785678
Energy: 0.557082320873621
Energy: 0.5382266765771646
Energy: 0.6112009094093896
Energy: 0.5006798769663054
Energy: 0.5340890973875475
Energy: 0.5976603351972888
Energy: 0.5255218088412092
Energy: 0.5006798769668162
Energy: 0.5340890973939094
Energy: 0.5976603352042079
Energy: 0.5570774982215934
Energy: 0.5497725335887621
Energy: 0.5927767068068953
Energy: 0.5316160492392216
Energy: 0.5570774982274909
Energy: 0.5497725335997676
Energy: 0.5927767068050843
Energy: 0.5251462054869983
Energy: 0.5528467670080175
Energy: 0.5770617829654592
Energy: 0.5278962839758373
Energy: 0.5251462054813795
Energy: 0.5528467670082498
Energy: 0.5770617829687561
Energy: 0.5284573970587733
Energy: 0.5231967312810831
Energy: 0.6006569211830091
Energy: 0.5479264188345688
Energy: 0.5284573970628598
Energy: 0.5231967312665484
Energy: 0.600656921193225
Energy: 0.5249207229929876
Energy: 0.5344965622795012
Energy: 0.577654059055427
Energy: 0.5235709041255437
Energy: 0.5249207229921983
Energy: 0.5344965622705389
Energy: 0.5776540590679186
Energy: 0.5281001030126323
Energy: 0.5215274360683343
Energy: 0.5573610731023394
Energy: 0.5531103023157786
Energy: 0.528100103031532
Energy: 0.5215274360507347
Energy: 0.5573610731018287
Energy: 0.523953528139651
Energy: 0.5252047480167737
Energy: 0.577395868894492
Energy: 0.5172859069725113
Energy: 0.5239535281445269
Energy: 0.5252047480083224
Energy: 0.5773958688898948
Energy: 0.5286123682953611
Energy: 0.5415592673472689
Energy: 0.5862867447921598
Energy: 0.5765277373072365
Energy: 0.5286123682836126
Energy: 0.5415592673495442
Energy: 0.5862867447934137
Energy: 0.519373927730673
Energy: 0.5569030353285703
Energy: 0.6543582469936993
Energy: 0.5550306738117718
Energy: 0.5193739277408891
Energy: 0.5569030353209083
Energy: 0.654358246989102
Energy: 0.5889649343705439
Energy: 0.5401817014987931
Energy: 0.5892793150422437
Energy: 0.59089545757309
Energy: 0.5889649343682686
Energy: 0.5401817015094735
Energy: 0.5892793150396896
Energy: 0.5197196260495779
Energy: 0.5906835835525606
Energy: 0.6624156235100491
Energy: 0.5835799237451136
Energy: 0.5197196260432161
Energy: 0.5906835835459201
Energy: 0.6624156235113029
Energy: 0.5837121961047887
Energy: 0.5404393423470601
Energy: 0.5809453662881758
Energy: 0.5895887108872546
Energy: 0.5837121961152371
Energy: 0.5404393423585301
Energy: 0.5809453662805137
Energy: 0.5200088935058191
Energy: 0.5527853404394372
Energy: 0.5885755281371061
Energy: 0.5542451524740868
Energy: 0.5200088935142707
Energy: 0.5527853404355829
Energy: 0.5885755281444894
Energy: 0.5206322364462804
Energy: 0.5401193853477373
Energy: 0.6369000755774136
Energy: 0.5688316030935978
Energy: 0.520632236448045
Energy: 0.5401193853383106
Energy: 0.6369000755817322
Energy: 0.5237298895758064
Energy: 0.519791980180036
Energy: 0.5657960733456243
Energy: 0.5238825656623219
Energy: 0.5237298895865332
Energy: 0.5197919801915059
Energy: 0.5657960733565833
Energy: 0.520564385077794
Energy: 0.521410357493849
Energy: 0.6290218993143156
Energy: 0.5475396811944808
Energy: 0.5205643850839237
Energy: 0.5214103574905519
Energy: 0.6290218993064213
Energy: 0.517007099791295
Energy: 0.5198275527020364
Energy: 0.5734028392664964
Energy: 0.5204747843610278
Energy: 0.5170070998022541
Energy: 0.5198275527112309
Energy: 0.5734028392664964
Energy: 0.513907973917734
Energy: 0.5122944766622525
Energy: 0.6292473721253531
Energy: 0.5558446777350242
Energy: 0.5139079739269286
Energy: 0.5122944766619739
Energy: 0.6292473721319936
Energy: 0.5170178033445184
Energy: 0.5162032785071716
Energy: 0.574093856256208
Energy: 0.5123061791073036
Energy: 0.5170178033519482
Energy: 0.5162032785120476
Energy: 0.5740938562492889
Energy: 0.5137193371652534
Energy: 0.5172338463967481
Energy: 0.5894479746799804
Energy: 0.5679778539835328
Energy: 0.5137193371532729
Energy: 0.5172338463962374
Energy: 0.5894479746786802
Energy: 0.5209652935442826
Energy: 0.5088891764412958
Energy: 0.5848997915738418
Energy: 0.5121086141057603
Energy: 0.5209652935506908
Energy: 0.5088891764351662
Energy: 0.5848997915717986
Energy: 0.5136008113269482
Energy: 0.5375154457526683
Energy: 0.6109641248570866
Energy: 0.5616239162305825
Energy: 0.5136008113269482
Energy: 0.5375154457460278
Energy: 0.6109641248705995
Energy: 0.5122732544395281
Energy: 0.538365999793477
Energy: 0.5841718764888374
Energy: 0.5392411803616536
Energy: 0.5122732544349309
Energy: 0.5383659998031823
Energy: 0.5841718764880944
Energy: 0.5694360123162272
Energy: 0.5399154267128118
Energy: 0.6080315929877438
Energy: 0.5615970742856835
Energy: 0.5694360123200815
Energy: 0.5399154267074716
Energy: 0.6080315929805925
Energy: 0.5122602744420353
Energy: 0.5468431519539837
Energy: 0.6078638185967377
Energy: 0.5526069127628962
Energy: 0.5122602744438463
Energy: 0.5468431519578381
Energy: 0.6078638186016135
Energy: 0.5386099370078834
Energy: 0.5400615411991
Energy: 0.5955958279999379
Energy: 0.5598486331986611
Energy: 0.5386099370012429
Energy: 0.5400615412052295
Energy: 0.5955958279981269
Energy: 0.5227204975047035
Energy: 0.5385343838259466
Energy: 0.6007849615646468
Energy: 0.5215407297065762
Energy: 0.5227204974973201
Energy: 0.5385343838141982
Energy: 0.6007849615685011
Energy: 0.5144708326434115
Energy: 0.5404522661027413
Energy: 0.5938886685521725
Energy: 0.5619332781500815
Energy: 0.5144708326447118
Energy: 0.5404522661124467
Energy: 0.5938886685600666

minimum gb energy = 0.500407551712029 eV
minimum distance =  2.49976790357657 Angstroms
sigma value = 365


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

Energy: 0.5180416202576159
Energy: 0.5140362836991531
Energy: 0.6897234932548623
Energy: 0.5140362836991531
Energy: 0.5180416202581918
Energy: 0.5140362836991531
Energy: 0.5843426658497278
Energy: 0.5180416202535851
Energy: 0.5140362836968497
Energy: 0.5365426022335833
Energy: 0.5140362836985772
Energy: 0.5180416202547368
Energy: 0.5140362836956981
Energy: 0.5574783830998243
Energy: 0.5180416202547368
Energy: 0.5140362836974256
Energy: 0.6133106512115017
Energy: 0.514036283696274
Energy: 0.518041620254161
Energy: 0.514036283699729
Energy: 0.5843426658566379
Energy: 0.51804162025704
Energy: 0.5140362836985772
Energy: 0.584464725890602
Energy: 0.5140362836980015
Energy: 0.5180416202587675
Energy: 0.5140362836985772
Energy: 0.5574783831027035
Energy: 0.5180416202535851
Energy: 0.5140362836974256
Energy: 0.5304449555642219
Energy: 0.514036283699729
Energy: 0.5180416202564643
Energy: 0.5140362836968497
Energy: 0.5574783831015518
Energy: 0.5180416202547368
Energy: 0.514036283696274
Energy: 0.5270593843902049
Energy: 0.5140362836956981
Energy: 0.5180416202547368
Energy: 0.5140362836985772
Energy: 0.5843426658606687
Energy: 0.5180416202587675
Energy: 0.5140362836991531
Energy: 0.5574783831004002
Energy: 0.5140362836985772
Energy: 0.5180416202558884
Energy: 0.5140362836991531
Energy: 0.557478383097521
Energy: 0.518041620254161
Energy: 0.5140362836974256
Energy: 0.5574783830998243
Energy: 0.5140362836985772
Energy: 0.518041620254161
Energy: 0.5140362836956981
Energy: 0.5574783830986727
Energy: 0.5180416202558884
Energy: 0.5140362836974256
Energy: 0.5612382351583254
Energy: 0.5140362836968497
Energy: 0.5180416202576159
Energy: 0.5140362836991531
Energy: 0.5843426658606687
Energy: 0.5180416202564643
Energy: 0.5140362836980015
Energy: 0.5844647258911778
Energy: 0.5140362836980015
Energy: 0.5180416202547368
Energy: 0.5140362836980015
Energy: 0.5574783831021277
Energy: 0.5180416202599193
Energy: 0.5140362836974256
Energy: 0.5671186891983242
Energy: 0.514036283699729
Energy: 0.5180416202564643
Energy: 0.514036283696274
Energy: 0.5574783831038551
Energy: 0.5180416202553126
Energy: 0.5140362836968497
Energy: 0.5843426658658513
Energy: 0.5140362836956981
Energy: 0.5180416202564643
Energy: 0.5140362836985772
Energy: 0.5843426658641238
Energy: 0.5180416202558884
Energy: 0.5140362836985772
Energy: 0.557478383104431
Energy: 0.5140362836991531
Energy: 0.51804162025704
Energy: 0.5140362836985772
Energy: 0.5574783831055827
Energy: 0.518041620254161
Energy: 0.5140362836968497
Energy: 0.5574783831027035
Energy: 0.5140362836991531
Energy: 0.5180416202558884
Energy: 0.5140362836956981
Energy: 0.5574783831084618
Energy: 0.518041620254161
Energy: 0.5140362836974256
Energy: 0.5574783831067344
Energy: 0.5140362836968497
Energy: 0.5180416202547368
Energy: 0.514036283699729
Energy: 0.5574783831032794
Energy: 0.5180416202553126
Energy: 0.5140362836980015
Energy: 0.5574783831055827
Energy: 0.5140362836980015
Energy: 0.5180416202604952
Energy: 0.5140362836985772
Energy: 0.5574783831032794
Energy: 0.51804162025704
Energy: 0.5140362836974256
Energy: 0.5574783831050069
Energy: 0.5140362837003047
Energy: 0.5180416202576159
Energy: 0.514036283696274
Energy: 0.5574783831038551
Energy: 0.5180416202599193
Energy: 0.514036283696274
Energy: 0.5574783831055827
Energy: 0.514036283696274
Energy: 0.5180416202564643
Energy: 0.5140362836991531
Energy: 0.5574783831055827
Energy: 0.5180416202581918
Energy: 0.5140362836985772
Energy: 0.5574783831061585
Energy: 0.5140362836985772
Energy: 0.5180416202564643
Energy: 0.5140362836985772
Energy: 0.5574783831032794
Energy: 0.5180416202558884
Energy: 0.5140362836968497
Energy: 0.5574783831061585
Energy: 0.5140362836991531
Energy: 0.518041620254161
Energy: 0.5140362836956981
Energy: 0.5574783831038551

minimum gb energy = 0.5140362836956981 eV
minimum distance =  2.64674365991505 Angstroms
sigma value = 23