Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
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=4.032082714140415
cohesive_energy=3.360264268222285
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: 0.0 eV

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

Energy: 0.012786828531294066
Energy: 0.23081997227018372
Energy: 0.4080419047485731
Energy: 0.23072106829103708
Energy: 0.012786828531499893
Energy: 0.2308199722707783
Energy: 0.6180996546177653
Energy: 0.2508108603904175
Energy: 0.013142303369372449
Energy: 0.12083057808960576
Energy: 0.013291629890065795
Energy: 0.2508108603894112
Energy: 0.013142303369166624
Energy: 0.12083057808880535
Energy: 0.012786828531294066
Energy: 0.23081997227059536
Energy: 0.40804190474756685
Energy: 0.23072106829103708
Energy: 0.012786828531499893
Energy: 0.23081997227038956
Energy: 0.6180996546175593
Energy: 0.25081086039062334
Energy: 0.013142303369372449
Energy: 0.12083057808960576
Energy: 0.013291629890065795
Energy: 0.25081086038961703
Energy: 0.013142303369372449
Energy: 0.12083057808901117
Energy: 0.012786828531294066
Energy: 0.23081997226997789
Energy: 0.618099654616759
Energy: 0.23072106829124292
Energy: 0.012786828531294066
Energy: 0.23081997227059536
Energy: 0.6180996546175593
Energy: 0.25081086039062334
Energy: 0.013142303369372449
Energy: 0.12083057808939995
Energy: 0.013291629890248752
Energy: 0.2508108603894112
Energy: 0.013142303369372449
Energy: 0.12083057808901117

minimum gb energy = 0.012786828531294066 eV
minimum distance =  2.82556677495847 Angstroms
sigma value = 5


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

Energy: 0.5782698506312015
Energy: 0.5787607652207937
Energy: 0.5894567869742869
Energy: 0.5786604399979026
Energy: 0.5782698506213668
Energy: 0.578760765210959
Energy: 0.5894567869816629
Energy: 0.5298844295778053
Energy: 0.5633329075761404
Energy: 0.5453894639044212
Energy: 0.5547496107300409
Energy: 0.5298844295679707
Energy: 0.5633329075736817
Energy: 0.5453894638921278
Energy: 0.5315339362571531
Energy: 0.5384064196217642
Energy: 0.5672336377973359
Energy: 0.5373209535983915
Energy: 0.5315339362473184
Energy: 0.5384064196242228
Energy: 0.5672336378047119
Energy: 0.5719617453336443
Energy: 0.5599658757483293
Energy: 0.5980536235855575
Energy: 0.5450311035540206
Energy: 0.5719617453361031
Energy: 0.5599658757532467
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Energy: 0.530101383243211
Energy: 0.5216899025401949
Energy: 0.5273871316166147
Energy: 0.5537686461572108
Energy: 0.530101383243211
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Energy: 0.5631283447823106
Energy: 0.5413856710934765
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Energy: 0.525581502830936
Energy: 0.550152855858143
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Energy: 0.5411103637399015
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Energy: 0.5488156084819953
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Energy: 0.5838125015264625
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Energy: 0.6291970865166523
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Energy: 0.5414290983185771
Energy: 0.5402380387111151
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Energy: 0.5494596472157636
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Energy: 0.5402380387012804
Energy: 0.5713293999654088
Energy: 0.551852363029802
Energy: 0.5769383978392753
Energy: 0.5410733075856317
Energy: 0.5713293999629501
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Energy: 0.5627719242703868
Energy: 0.5630007167161096
Energy: 0.5669726844052069
Energy: 0.5741628592951026
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Energy: 0.553644714158858
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Energy: 0.532887882114723
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Energy: 0.5489515425290096
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Energy: 0.5685397389159559
Energy: 0.5453993792263109
Energy: 0.541688172494956
Energy: 0.5769515309562699
Energy: 0.5455694893747309
Energy: 0.5453993792287696
Energy: 0.5416881724851212
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Energy: 0.5558437491543057
Energy: 0.5849256913976076
Energy: 0.5586047529576007
Energy: 0.5643907290526685
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Energy: 0.5586047529551419
Energy: 0.5609094307596734
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Energy: 0.5782118453449985
Energy: 0.5576554332091773
Energy: 0.5609094307572147
Energy: 0.5297814424780726
Energy: 0.5782118453547885
Energy: 0.5548305550768362
Energy: 0.5322320423303571
Energy: 0.5660507525446357
Energy: 0.5485985894203552
Energy: 0.5548305550768362
Energy: 0.5322320423426506
Energy: 0.5660507525372597
Energy: 0.583218900550875
Energy: 0.5464856820434769
Energy: 0.5717019675553463
Energy: 0.6023073538629922
Energy: 0.583218900550875
Energy: 0.5464856820434769
Energy: 0.5717019675504289
Energy: 0.5560822520168306
Energy: 0.5482879752231515
Energy: 0.5668788591750062
Energy: 0.5639825525785712
Energy: 0.5560822520119132
Energy: 0.5482879752280689
Energy: 0.5668788591774649
Energy: 0.520199458234002
Energy: 0.5330137404720325
Energy: 0.5791566839621266
Energy: 0.5501554465546348
Energy: 0.5201994582437921
Energy: 0.5330137404720325
Energy: 0.5791566839572093
Energy: 0.5312355037912022
Energy: 0.557073789163076
Energy: 0.6084816087822436
Energy: 0.546166900043138
Energy: 0.5312355037739915
Energy: 0.5570737891729108
Energy: 0.6084816087920782
Energy: 0.5235721336702486
Energy: 0.5651992470670856
Energy: 0.5871527108947753
Energy: 0.5378787331781969
Energy: 0.5235721336702486
Energy: 0.5651992470695443
Energy: 0.5871527108923167

minimum gb energy = 0.520199458234002 eV
minimum distance =  2.56957976383868 Angstroms
sigma value = 401


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

Energy: 0.562261165638723
Energy: 0.5938938084986598
Energy: 0.6157546051061332
Energy: 0.5754565992405959
Energy: 0.5622611656297922
Energy: 0.5938938084953108
Energy: 0.6157546051072494
Energy: 0.5327498517451797
Energy: 0.578795331600034
Energy: 0.5796088225616433
Energy: 0.5648460817169517
Energy: 0.5327498517423889
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Energy: 0.5459659976371724
Energy: 0.5784599066779402
Energy: 0.5402043620013451
Energy: 0.5472806520528446
Energy: 0.5819339265113835
Energy: 0.540087100504568
Energy: 0.5402043619991125
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Energy: 0.5774395916670897
Energy: 0.5401745270934049
Energy: 0.5508164136957391
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Energy: 0.5592803789650415
Energy: 0.5798754359350317
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Energy: 0.5931107826196936
Energy: 0.5129587169149569
Energy: 0.5183054300088514
Energy: 0.6242239806842189
Energy: 0.5474721961641773
Energy: 0.512958716910187
Energy: 0.5183054300068726
Energy: 0.6247230331469122
Energy: 0.5210688083207602
Energy: 0.5804220947704416
Energy: 0.5601649891248586
Energy: 0.5461392881697155
Energy: 0.5210688083182738
Energy: 0.5804220947685134
Energy: 0.5601649891262792
Energy: 0.5393276601158954
Energy: 0.5859764107276418
Energy: 0.5530482637380064
Energy: 0.5450516758134752
Energy: 0.539327660118128
Energy: 0.5859764107218066
Energy: 0.5530482637340992
Energy: 0.5366735312607607
Energy: 0.5478847578783991
Energy: 0.5574595951754703
Energy: 0.525648362395962
Energy: 0.5366735312576654
Energy: 0.5478847578789573
Energy: 0.5574595951752165
Energy: 0.522716978938165
Energy: 0.54619370962685
Energy: 0.5686560349493182
Energy: 0.5451607093154528
Energy: 0.5227169789412603
Energy: 0.5461937096321273
Energy: 0.5686560349465272
Energy: 0.5386343106703732
Energy: 0.5704981984373324
Energy: 0.5864792789270604
Energy: 0.5819216331675477
Energy: 0.5386343106745848
Energy: 0.5704981984284017
Energy: 0.5864792789250816
Energy: 0.5426612886057378
Energy: 0.5938938084997762
Energy: 0.6157546051072494
Energy: 0.575456599241154
Energy: 0.5426612886040632
Energy: 0.5938938084961735
Energy: 0.6157546051081121
Energy: 0.532749851744926
Energy: 0.5787953315997802
Energy: 0.5796088225599688
Energy: 0.5365590803115389
Energy: 0.5327498517395979
Energy: 0.5787953316008967
Energy: 0.579608822562506

minimum gb energy = 0.5103072484379142 eV
minimum distance =  2.54163770526485 Angstroms
sigma value = 311


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

Energy: 0.5661614547580057
Energy: 0.5446473941585648
Energy: 0.5991593064795814
Energy: 0.5443429433697881
Energy: 0.566161454758328
Energy: 0.5446473941595316
Energy: 0.599159306480226
Energy: 0.5657122565776084
Energy: 0.5606100649430581
Energy: 0.5963809214119229
Energy: 0.5515518658173717
Energy: 0.5657122565782529
Energy: 0.5606100649430581
Energy: 0.5963809214138565
Energy: 0.5506306210332613
Energy: 0.5518566677908244
Energy: 0.601336413699397
Energy: 0.5468270949154992
Energy: 0.5506306210322945
Energy: 0.5518566677911466
Energy: 0.601336413698108
Energy: 0.5474753932216794
Energy: 0.531659812625815
Energy: 0.6202508494310827
Energy: 0.5352318809317882
Energy: 0.5474753932203903
Energy: 0.5316598126242036
Energy: 0.6202508494310827
Energy: 0.543611071523385
Energy: 0.5389090634597341
Energy: 0.6243088409563416
Energy: 0.544286368132129
Energy: 0.5436110715256408
Energy: 0.5389090634616676
Energy: 0.6243088409566641
Energy: 0.5418704969005724
Energy: 0.5485025667646163
Energy: 0.5664783553837133
Energy: 0.5589000641239128
Energy: 0.5418704969015393
Energy: 0.5485025667646163
Energy: 0.5664783553853245
Energy: 0.5449828264731348
Energy: 0.5429036772235167
Energy: 0.5664877212129902
Energy: 0.5549658107440225
Energy: 0.5449828264715234
Energy: 0.5429036772244835
Energy: 0.5664877212133125
Energy: 0.5546299850399599
Energy: 0.5505093002592543
Energy: 0.6343617876396664
Energy: 0.5337065188995235
Energy: 0.5546299850418934
Energy: 0.5505093002608656
Energy: 0.6343617876396664
Energy: 0.5539931734278951
Energy: 0.5284948743206105
Energy: 0.598162798754009
Energy: 0.530965459815047
Energy: 0.5539931734272505
Energy: 0.5284948743202883
Energy: 0.598162798754009
Energy: 0.5529796031408231
Energy: 0.5458771655601666
Energy: 0.5842152672447282
Energy: 0.5353877542985598
Energy: 0.5529796031408231
Energy: 0.5458771655591999
Energy: 0.5842152672450504
Energy: 0.5754149061344302
Energy: 0.5659296985844677
Energy: 0.5783323734555057
Energy: 0.536403102042883
Energy: 0.5754149061334635
Energy: 0.5659296985838231
Energy: 0.5783323734542166
Energy: 0.5694245350569943
Energy: 0.5485577407272006
Energy: 0.6024035745504999
Energy: 0.584926725916503
Energy: 0.5694245350579611
Energy: 0.548557740726556
Energy: 0.6024035745508222
Energy: 0.5477892678042856
Energy: 0.561085641882214
Energy: 0.5944658901023139
Energy: 0.5392660914206955
Energy: 0.5477892678033188
Energy: 0.5610856418802804
Energy: 0.5944658901026362
Energy: 0.542555198532587
Energy: 0.5408827289475532
Energy: 0.5936480234335456
Energy: 0.5461483521816426
Energy: 0.542555198533876
Energy: 0.5408827289472309
Energy: 0.5936480234367681
Energy: 0.5530817504500836
Energy: 0.5346991261507149
Energy: 0.6062475613536976
Energy: 0.549957554479081
Energy: 0.5530817504491167
Energy: 0.5346991261503926
Energy: 0.6062475613527308
Energy: 0.5800422375254526
Energy: 0.5613235205450386
Energy: 0.6007456776885571
Energy: 0.5528916638184164
Energy: 0.5800422375264195
Energy: 0.5613235205460055
Energy: 0.6007456776888794
Energy: 0.5576471969820258
Energy: 0.542782581130593
Energy: 0.5799757093494616
Energy: 0.5504332096353669
Energy: 0.557647196981059
Energy: 0.5427825811309153
Energy: 0.579975709348817
Energy: 0.5483034567621577
Energy: 0.5443900044813739
Energy: 0.6258978681076245
Energy: 0.54941196072399
Energy: 0.5483034567618355
Energy: 0.5443900044810517
Energy: 0.6258978681085912
Energy: 0.5384086835403428
Energy: 0.5327782926778923
Energy: 0.5790482455463957
Energy: 0.5425319578681106
Energy: 0.5384086835403428
Energy: 0.532778292678859
Energy: 0.57904824554704
Energy: 0.5478577856741177
Energy: 0.5319251828984093
Energy: 0.6174044646280861
Energy: 0.5497158736265467
Energy: 0.5478577856728286
Energy: 0.5319251828993761
Energy: 0.6174044646280861
Energy: 0.5396439041319792
Energy: 0.5400646024776695
Energy: 0.6010641988227076
Energy: 0.5633675227893692
Energy: 0.5396439041335905
Energy: 0.5400646024783141
Energy: 0.5973877371375338
Energy: 0.5492390266011989
Energy: 0.5683679475772633
Energy: 0.6004938510843115
Energy: 0.531212947106125
Energy: 0.5492390266011989
Energy: 0.5683679475779079
Energy: 0.6004938510833447
Energy: 0.5438229786335061
Energy: 0.5366212195804011
Energy: 0.6154790654479189
Energy: 0.5361980416428013
Energy: 0.5438229786338284
Energy: 0.5366212195807234
Energy: 0.6154790654466299
Energy: 0.5493437781035538
Energy: 0.5542099352827013
Energy: 0.622677867175964
Energy: 0.5406971856293187
Energy: 0.5493437781012981
Energy: 0.554209935282379
Energy: 0.6226778671746749
Energy: 0.5450432650600365
Energy: 0.5337322849043927
Energy: 0.5695466355829745
Energy: 0.5449126522861273
Energy: 0.545043265060681
Energy: 0.5337322849043927
Energy: 0.5695466355832968
Energy: 0.5759402424840364
Energy: 0.5519591616833903
Energy: 0.5833326968984378
Energy: 0.5549968103116701
Energy: 0.5759402424837142
Energy: 0.5519591616840348
Energy: 0.5833326969006938
Energy: 0.5785184692217356
Energy: 0.542559000488848
Energy: 0.5993280563707465
Energy: 0.5484026298962679
Energy: 0.5785184692220577
Energy: 0.5425590004894923
Energy: 0.5993280563733246
Energy: 0.557991849569318
Energy: 0.5612701589346384
Energy: 0.5804507462442761
Energy: 0.5556703404447245
Energy: 0.5579918495699626
Energy: 0.5612701589346384
Energy: 0.5804507462433094
Energy: 0.5424189874726111
Energy: 0.5481938982780531
Energy: 0.6013384452093938
Energy: 0.5344262125961118
Energy: 0.5424189874748668
Energy: 0.5481938982780531
Energy: 0.6013384452110051
Energy: 0.5436572954727188
Energy: 0.5385520695802167
Energy: 0.614586333489343
Energy: 0.5503531585100919
Energy: 0.543657295473041
Energy: 0.538552069581828
Energy: 0.614586333489343
Energy: 0.5417072387230333
Energy: 0.5351562568834186
Energy: 0.6229471262698745
Energy: 0.5374943995702387
Energy: 0.541707238722711
Energy: 0.5351562568834186
Energy: 0.6229471262695521
Energy: 0.5474908029001457
Energy: 0.5329821379778692
Energy: 0.5780832353683546
Energy: 0.5533315153888146
Energy: 0.5474908029007902
Energy: 0.5329821379762578
Energy: 0.5780832353693214
Energy: 0.5481642867791773
Energy: 0.5405649911763217
Energy: 0.5572721454331231
Energy: 0.5473166847002349
Energy: 0.5481642867798218
Energy: 0.5405649911779331
Energy: 0.5572721454340899
Energy: 0.5537709175338247
Energy: 0.5500819763066933
Energy: 0.6307709268984223
Energy: 0.5471767097372472
Energy: 0.5537709175347914
Energy: 0.5500819763060488
Energy: 0.6307709268987445
Energy: 0.5501941224148428
Energy: 0.5386892247510225
Energy: 0.6031039899461097
Energy: 0.5506135481413719
Energy: 0.550194122413876
Energy: 0.5386892247487667
Energy: 0.6031039899435315
Energy: 0.5539501241265549
Energy: 0.5488280064131092
Energy: 0.6018685941496976
Energy: 0.5360717359559142
Energy: 0.5539501241255881
Energy: 0.5488280064147206
Energy: 0.6018685941506645

minimum gb energy = 0.5284948743202883 eV
minimum distance =  2.57033846124858 Angstroms
sigma value = 39


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

Energy: 0.531481310759468
Energy: 0.5264205887846227
Energy: 0.6324657615720545
Energy: 0.5264272139837212
Energy: 0.5314813107568057
Energy: 0.5264205887842424
Energy: 0.5631607594801976
Energy: 0.515024437688005
Energy: 0.5342100596490902
Energy: 0.5085704627175626
Energy: 0.5342956983943941
Energy: 0.5150244376861034
Energy: 0.5342100596460476
Energy: 0.5085704627206052
Energy: 0.5316776487782972
Energy: 0.5033467917437623
Energy: 0.5816653442356584
Energy: 0.5113089317040534
Energy: 0.5316776487817201
Energy: 0.5033467917391983
Energy: 0.5816653442337568
Energy: 0.5338791867661093
Energy: 0.5342395605773441
Energy: 0.5088345761530231
Energy: 0.56819271781364
Energy: 0.5338791867619258
Energy: 0.5342395605724344
Energy: 0.5088345761579673
Energy: 0.5621776222141631
Energy: 0.5107921262536902
Energy: 0.5115749526151356
Energy: 0.5112352464338984
Energy: 0.5621776222164452
Energy: 0.5107921262525492
Energy: 0.5115749526219816
Energy: 0.5354966210261435
Energy: 0.5183746344396328
Energy: 0.6126817402407368
Energy: 0.5178361066577961
Energy: 0.5354966210261435
Energy: 0.5183746344354492
Energy: 0.6126817402414975
Energy: 0.5914852532158296
Energy: 0.5693954118270531
Energy: 0.5434354487067149
Energy: 0.5115245530084761
Energy: 0.5914852532192526
Energy: 0.5693954118236302
Energy: 0.5310336101923143
Energy: 0.5362870107948954
Energy: 0.5143034115044973
Energy: 0.6069045793996691
Energy: 0.5142898406916321
Energy: 0.536287010794515
Energy: 0.5143034115037366
Energy: 0.606904579398528
Energy: 0.5909640344838326
Energy: 0.511520689284465
Energy: 0.537047397828522
Energy: 0.5696378248153707
Energy: 0.5909640344842128
Energy: 0.5115206892939733
Energy: 0.5370473978289023
Energy: 0.535434289695239
Energy: 0.5178393915874857
Energy: 0.6126622342076808
Energy: 0.5183735095680888
Energy: 0.5354342896967603
Energy: 0.5178393915905284
Energy: 0.6126622342061596
Energy: 0.5622197257577024
Energy: 0.5112446560272582
Energy: 0.6532875795881897
Energy: 0.5106432447645645
Energy: 0.562219725760745
Energy: 0.5112446560302663
Energy: 0.5341304976183113
Energy: 0.5352609020738316
Energy: 0.5177450441125343
Energy: 0.5089756957587657
Energy: 0.5341190587762508
Energy: 0.5352609020726907
Energy: 0.5177450441129147
Energy: 0.5089756957617737
Energy: 0.5315286905022938
Energy: 0.5114240566874658
Energy: 0.5834875396791798
Energy: 0.5031961435895846
Energy: 0.5315286904996315
Energy: 0.5114240566912691
Energy: 0.5680012475853997
Energy: 0.5150189026768376
Energy: 0.5343049817513976
Energy: 0.5088691565749233
Energy: 0.5341792479051607
Energy: 0.5150189026745556
Energy: 0.5343049817487354
Energy: 0.5088691565707397
Energy: 0.5314813107590877
Energy: 0.5264205887846227
Energy: 0.5631607594801976
Energy: 0.5264272139841014
Energy: 0.5314813107564255
Energy: 0.5264205887850031
Energy: 0.5631607594798173
Energy: 0.515024437686864
Energy: 0.5342100596483296
Energy: 0.5085704627187035
Energy: 0.534295698393253
Energy: 0.5150244376861034
Energy: 0.5342100596456673
Energy: 0.5085704627213659
Energy: 0.5316776487782972
Energy: 0.5033467917418607
Energy: 0.5816653442356584
Energy: 0.5113089317040534
Energy: 0.5316776487805791
Energy: 0.5033467917384377
Energy: 0.5816653442341371
Energy: 0.5338791867638275
Energy: 0.5342395605777245
Energy: 0.5088345761526427
Energy: 0.568192717814781
Energy: 0.5338791867600242
Energy: 0.5342395605728147
Energy: 0.5088345761579673
Energy: 0.5621776222187271
Energy: 0.5107921262529295
Energy: 0.511574952614375
Energy: 0.5112352464338984
Energy: 0.5621776222198681
Energy: 0.5107921262521687
Energy: 0.5115749526223619
Energy: 0.5354966210238615
Energy: 0.5183746344400131
Energy: 0.6126817402414975
Energy: 0.5178361066589372
Energy: 0.5354966210246223
Energy: 0.5183746344358295
Energy: 0.6126817402426383
Energy: 0.59148525321621
Energy: 0.5693954118274334
Energy: 0.5310336101915537
Energy: 0.5115245530080957
Energy: 0.5914852532203936
Energy: 0.5693954118236302
Energy: 0.5310336101911733
Energy: 0.5362870107952757
Energy: 0.514303411504117
Energy: 0.6069045793992888
Energy: 0.5142898406920124
Energy: 0.5362870107952757
Energy: 0.5143034115033563
Energy: 0.6069045793981478
Energy: 0.5909640344830718
Energy: 0.5115206892848454
Energy: 0.5370473978292827
Energy: 0.5696378248165117
Energy: 0.5909640344834522
Energy: 0.511520689294734
Energy: 0.5370473978304237
Energy: 0.53543428969638
Energy: 0.5178393915886267
Energy: 0.6126622342069202
Energy: 0.5183735095665676
Energy: 0.5354342896967603
Energy: 0.5178393915909087
Energy: 0.6126622342065398
Energy: 0.562219725757322
Energy: 0.5112446560283647
Energy: 0.5132596995800601
Energy: 0.5106432447664662
Energy: 0.562219725758463
Energy: 0.5112446560302663
Energy: 0.5132596995808208
Energy: 0.5352609020734513
Energy: 0.5177450441254655
Energy: 0.5089756957595263
Energy: 0.534119058777772
Energy: 0.5352609020715497
Energy: 0.5177450441319311
Energy: 0.5089756957644359
Energy: 0.5315286905011528
Energy: 0.5114240566870855
Energy: 0.5680012475850195
Energy: 0.5031961435895846
Energy: 0.5315286905000118
Energy: 0.5114240566905084
Energy: 0.568001247586921
Energy: 0.5150189026764572
Energy: 0.5343049817513976
Energy: 0.5088691565753036
Energy: 0.5341792479044001
Energy: 0.5150189026745556
Energy: 0.5343049817487354
Energy: 0.508869156569979
Energy: 0.531481310760609
Energy: 0.5264205887846227
Energy: 0.5631607594790565
Energy: 0.5264272139837212
Energy: 0.5314813107579467
Energy: 0.5264205887846227
Energy: 0.5631607594801976
Energy: 0.515024437688005
Energy: 0.5342100596487098
Energy: 0.5085704627175626
Energy: 0.5342956983947743
Energy: 0.5150244376864838
Energy: 0.5342100596460476
Energy: 0.5085704627209855

minimum gb energy = 0.5031961435895846 eV
minimum distance =  2.61450501161169 Angstroms
sigma value = 21


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

Energy: 0.5195426047707306
Energy: 0.5748610091006624
Energy: 0.5389471477955043
Energy: 0.5748854166263851
Energy: 0.5195426047721156
Energy: 0.5748610090997389
Energy: 0.538947147799198
Energy: 0.5370304966168645
Energy: 0.5047556774366853
Energy: 0.5554550856402777
Energy: 0.5073398796371088
Energy: 0.537030496614556
Energy: 0.5047556774343768
Energy: 0.5554550856402777
Energy: 0.5195018131208163
Energy: 0.536139938460373
Energy: 0.5350888109399438
Energy: 0.5250810354017622
Energy: 0.5195018131240482
Energy: 0.5361399384580855
Energy: 0.5350888109399438
Energy: 0.5313423995997355
Energy: 0.5141474132648378
Energy: 0.5896953556291517
Energy: 0.5137238279149862
Energy: 0.531342399597427
Energy: 0.5141474132606825
Energy: 0.5896953556291517
Energy: 0.5049235312875999
Energy: 0.541267292246224
Energy: 0.5213942995366425
Energy: 0.5229235604575161
Energy: 0.5049235312843681
Energy: 0.5412672922494559
Energy: 0.5213942995389301
Energy: 0.5312538490877882
Energy: 0.5295767769051076
Energy: 0.5316457800597526
Energy: 0.5204963201295739
Energy: 0.5312538490891733
Energy: 0.5295767769074162
Energy: 0.5316457800611377
Energy: 0.5232415414130134
Energy: 0.5413104088373418
Energy: 0.5674184529981773
Energy: 0.5096569069108714
Energy: 0.5232415414139368
Energy: 0.541310408835495
Energy: 0.5525896974340325
Energy: 0.5242046082882263
Energy: 0.5072673037236995
Energy: 0.5310991069669657
Energy: 0.5202396750040058
Energy: 0.5242046082896115
Energy: 0.5072673037255463
Energy: 0.5310991069683508
Energy: 0.5233557763446942
Energy: 0.5185928025861986
Energy: 0.5471730764829766
Energy: 0.5279433580682921
Energy: 0.5233557763446942
Energy: 0.5185928025857369
Energy: 0.5471730764829766
Energy: 0.5201993839184017
Energy: 0.5156637925283855
Energy: 0.5478819761406261
Energy: 0.5196171920859999
Energy: 0.5201993839184017
Energy: 0.5156637925288471
Energy: 0.5478819761424729
Energy: 0.529963163672285
Energy: 0.5357473766826435
Energy: 0.545642135485485
Energy: 0.5149156953751891
Energy: 0.5299631636727467
Energy: 0.5357473766844902
Energy: 0.5456421354868701
Energy: 0.49252101720992864
Energy: 0.5232824020379638
Energy: 0.5326919891996973
Energy: 0.5034473664279127
Energy: 0.49252101720854363
Energy: 0.5232824020398107
Energy: 0.5326919891996973
Energy: 0.5533042694038479
Energy: 0.5255409196711983
Energy: 0.5288120500034049
Energy: 0.5161730210218403
Energy: 0.5533042694029244
Energy: 0.525540919670275
Energy: 0.5288120500034049
Energy: 0.4942794398148457
Energy: 0.5243706287011336
Energy: 0.5292930256372892
Energy: 0.507787661100176
Energy: 0.49427943981346056
Energy: 0.5243706287011336
Energy: 0.5292930256359042
Energy: 0.5461706003386368
Energy: 0.517317276930884
Energy: 0.560593902947721
Energy: 0.513168597310767
Energy: 0.5461706003409453
Energy: 0.5173172769313458
Energy: 0.5605939029458743
Energy: 0.4946219336475632
Energy: 0.5376132934834519
Energy: 0.5511956647238235
Energy: 0.5398786076656974
Energy: 0.49462193364940993
Energy: 0.5376132934825285
Energy: 0.5511956647224385
Energy: 0.5467584956923678
Energy: 0.5172192898978675
Energy: 0.5393529451381456
Energy: 0.5132405503765372
Energy: 0.5467584956965231
Energy: 0.5172192898978675
Energy: 0.5393529451362987
Energy: 0.4947403939456283
Energy: 0.5130602978757762
Energy: 0.5236933382141439
Energy: 0.5411005166489926
Energy: 0.4947403939479368
Energy: 0.5130602978757762
Energy: 0.5236933382118354
Energy: 0.5198484576338019
Energy: 0.5173184864120105
Energy: 0.5410819794504076
Energy: 0.5130774782059281
Energy: 0.5198484576351871
Energy: 0.5173184864152424
Energy: 0.5410819794462522
Energy: 0.49337389608224297
Energy: 0.5269239898415886
Energy: 0.5165626791359532
Energy: 0.5269825129578477
Energy: 0.493373896079011
Energy: 0.5269239898415886
Energy: 0.5165626791368766
Energy: 0.5198418007750439
Energy: 0.5130898643692634
Energy: 0.5400642324992097
Energy: 0.5173101179777734
Energy: 0.5198418007755056
Energy: 0.5130898643706485
Energy: 0.5400642324969012
Energy: 0.4947363275229188
Energy: 0.5412118771104659
Energy: 0.5237718809006893
Energy: 0.5131015296915838
Energy: 0.49473632752430396
Energy: 0.5412118771104659
Energy: 0.5237718809025361
Energy: 0.546622544295593
Energy: 0.5132114481822743
Energy: 0.5393629743281492
Energy: 0.5171160063851074
Energy: 0.5466225442951314
Energy: 0.5132114481831976
Energy: 0.5393629743272258
Energy: 0.49462049501180927
Energy: 0.5399681330358571
Energy: 0.5511906549890874
Energy: 0.5375926566920726
Energy: 0.4946204950145795
Energy: 0.53996813303124
Energy: 0.551190654990934
Energy: 0.5460787456231918
Energy: 0.5131768613859584
Energy: 0.562962095021739
Energy: 0.51724261304724
Energy: 0.5460787456222684
Energy: 0.5131768613864202
Energy: 0.5629620950231241

minimum gb energy = 0.49252101720854363 eV
minimum distance =  2.56884574149818 Angstroms
sigma value = 113


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

Energy: 0.5724155495084473
Energy: 0.5592596267677051
Energy: 0.576268392819973
Energy: 0.5686056442432814
Energy: 0.5724155495105088
Energy: 0.5592596267744047
Energy: 0.5762683928240957
Energy: 0.5623441499851431
Energy: 0.5378311318846418
Energy: 0.5965242606956399
Energy: 0.557522142561606
Energy: 0.5623441499902967
Energy: 0.5378311318853913
Energy: 0.5965242606963894
Energy: 0.5739579771463378
Energy: 0.546046858388756
Energy: 0.5647723080057363
Energy: 0.538295366640741
Energy: 0.5739579771422149
Energy: 0.5460468583964864
Energy: 0.564772307999552
Energy: 0.5227463711502369
Energy: 0.5555397863353125
Energy: 0.6095942961819145
Energy: 0.535909432652179
Energy: 0.5227463711525795
Energy: 0.5555397863409814
Energy: 0.6095942961721228
Energy: 0.5669519412692586
Energy: 0.5081854942908636
Energy: 0.5556467859645517
Energy: 0.5353087562390095
Energy: 0.5669519412666818
Energy: 0.5081854942867406
Energy: 0.5556467859601948
Energy: 0.5126241340677806
Energy: 0.5324517769705243
Energy: 0.5794331867994439
Energy: 0.5103953783860204
Energy: 0.5126241340638921
Energy: 0.5324517769689783
Energy: 0.5794331868002404
Energy: 0.5371848042463094
Energy: 0.5078744081291218
Energy: 0.5841847232852293
Energy: 0.5253806483520214
Energy: 0.5371848042507134
Energy: 0.5078744081350718
Energy: 0.584184723283449
Energy: 0.510306087695302
Energy: 0.507599553510111
Energy: 0.5895960264789861
Energy: 0.5090095302040416
Energy: 0.5103060877014862
Energy: 0.5075995535149835
Energy: 0.5895960264717712
Energy: 0.531924820190266
Energy: 0.506335346454015
Energy: 0.6180484104799857
Energy: 0.5182634581973236
Energy: 0.5319248201890011
Energy: 0.5063353464622606
Energy: 0.6180484104758628
Energy: 0.49778085984579207
Energy: 0.5146606164931579
Energy: 0.6140092857851093
Energy: 0.5095753279341318
Energy: 0.4977808598427
Energy: 0.5146606164941886
Energy: 0.6140092857778944
Energy: 0.5430546727186086
Energy: 0.5244419045495342
Energy: 0.6048060627958319
Energy: 0.5134815208816521
Energy: 0.5430546727201547
Energy: 0.5244419045472386
Energy: 0.6048060627860402
Energy: 0.5045429813977066
Energy: 0.5198661631086603
Energy: 0.6150750419865091
Energy: 0.5115969136515633
Energy: 0.5045429814015953
Energy: 0.5198661631125487
Energy: 0.6150750419834169
Energy: 0.5536094592639096
Energy: 0.5272620325350355
Energy: 0.6218382365900551
Energy: 0.5296108011437727
Energy: 0.5536094592680323
Energy: 0.5272620325350355
Energy: 0.6218382366005965
Energy: 0.5439950803221287
Energy: 0.5477212339789701
Energy: 0.6495663567104538
Energy: 0.5385925938109942
Energy: 0.5439950803339818
Energy: 0.5477212339751284
Energy: 0.6495663567161228
Energy: 0.5536885132516058
Energy: 0.5363844444125686
Energy: 0.65513914509123
Energy: 0.542042636815979
Energy: 0.5536885132603668
Energy: 0.5363844444120532
Energy: 0.6551391450860764
Energy: 0.5437556993243404
Energy: 0.521793611843012
Energy: 0.6214552449641477
Energy: 0.5245739446884728
Energy: 0.5437556993300094
Energy: 0.5217936118412316
Energy: 0.6214552449649442
Energy: 0.5589342805736583
Energy: 0.5281285504516835
Energy: 0.6352548868230437
Energy: 0.5155984875911693
Energy: 0.5589342805700509
Energy: 0.528128550450887
Energy: 0.6352548868209822
Energy: 0.5048231130521681
Energy: 0.5118908592668636
Energy: 0.6225091792461157
Energy: 0.5112128122498334
Energy: 0.5048231130511375
Energy: 0.5118908592678942
Energy: 0.6225091792510349
Energy: 0.558531239869214
Energy: 0.5383532314774154
Energy: 0.6121450961143754
Energy: 0.5400348585698278
Energy: 0.558531239872072
Energy: 0.5383532314755883
Energy: 0.6121450961112833
Energy: 0.5069019265745245
Energy: 0.5083723645465599
Energy: 0.6147093373089744
Energy: 0.5019135634957916
Energy: 0.5069019265799124
Energy: 0.5083723645517134
Energy: 0.6147093373094896
Energy: 0.5321911850414937
Energy: 0.5098785748831697
Energy: 0.5882538485773893
Energy: 0.5443950332030497
Energy: 0.5321911850404629
Energy: 0.5098785748805931
Energy: 0.5882538485773893
Energy: 0.5087055756998748
Energy: 0.5141549316895717
Energy: 0.6119738707372808
Energy: 0.5082330326660098
Energy: 0.5087055757047473
Energy: 0.5141549316872291
Energy: 0.6119738707429497
Energy: 0.5317659145323397
Energy: 0.522634213161537
Energy: 0.5922044006391473
Energy: 0.543383121859773
Energy: 0.5317659145349165
Energy: 0.5226342131589604
Energy: 0.5922044006324476
Energy: 0.531476898629253
Energy: 0.5215101081350446
Energy: 0.597732689496325
Energy: 0.5187634297213048
Energy: 0.5314768986346875
Energy: 0.5215101081223951
Energy: 0.5977326894896254
Energy: 0.5439786098276925
Energy: 0.5371987155922218
Energy: 0.5852031736665575
Energy: 0.5567111522301696
Energy: 0.5439786098163548
Energy: 0.5371987155842104
Energy: 0.5852031736673072
Energy: 0.5226794193248568
Energy: 0.5498728221394255
Energy: 0.5898144265233268
Energy: 0.5265976654797244
Energy: 0.5226794193127694
Energy: 0.5498728221311798
Energy: 0.5898144265222961
Energy: 0.5844430784400817
Energy: 0.5330127281844028
Energy: 0.6027525020825837
Energy: 0.5730539076557576
Energy: 0.5844430784426585
Energy: 0.5330127281805143
Energy: 0.6027525020753688
Energy: 0.5362072893230486
Energy: 0.5563094266819687
Energy: 0.6163244574367214
Energy: 0.5704657605790061
Energy: 0.5362072893232828
Energy: 0.5563094266881061
Energy: 0.6163244574418748
Energy: 0.5861341824109968
Energy: 0.5302766922583725
Energy: 0.5878149215155799
Energy: 0.5779140335001841
Energy: 0.5861341824104814
Energy: 0.5302766922630108
Energy: 0.5878149215114572
Energy: 0.524278665978852
Energy: 0.5447908466559311
Energy: 0.5913125438899759
Energy: 0.5448809108540708
Energy: 0.5242786659742139
Energy: 0.5447908466533543
Energy: 0.5913125438897416
Energy: 0.5359226898592478
Energy: 0.5351348646857361
Energy: 0.6003975725265398
Energy: 0.5690943581710112
Energy: 0.535922689863605
Energy: 0.5351348646828783
Energy: 0.600397572532724
Energy: 0.5280918794240248
Energy: 0.5043752450254559
Energy: 0.559996728129922
Energy: 0.5347784980956457
Energy: 0.5280918794209326
Energy: 0.5043752450283139
Energy: 0.5599967281278604
Energy: 0.5131188441394596
Energy: 0.5215103077883482
Energy: 0.6111336199652446
Energy: 0.5479955621627522
Energy: 0.513118844139975
Energy: 0.5215103077868021
Energy: 0.6111336199649635
Energy: 0.5098824173336908
Energy: 0.5034016790811814
Energy: 0.5617994167368577
Energy: 0.5169826056458642
Energy: 0.5098824173329412
Energy: 0.5034016790794011
Energy: 0.5617994167373731
Energy: 0.5072178934138188
Energy: 0.49549298205274506
Energy: 0.5781905514172434
Energy: 0.5511892132848543
Energy: 0.5072178934138188
Energy: 0.4954929820408919
Energy: 0.578190551419586
Energy: 0.5084104216749783
Energy: 0.5069662350089786
Energy: 0.5682909719778305
Energy: 0.5088909720930171
Energy: 0.5084104216669669
Energy: 0.5069662350128203
Energy: 0.5682909719734733
Energy: 0.508914546524475
Energy: 0.5152890526327987
Energy: 0.5684186296328699
Energy: 0.5522954249590243
Energy: 0.5089145465275671
Energy: 0.5152890526369214
Energy: 0.568418629630293
Energy: 0.5186533565555781
Energy: 0.5061041823737699
Energy: 0.5806894472465632
Energy: 0.5210807917744195
Energy: 0.5186533565473324
Energy: 0.5061041823742852
Energy: 0.580689447239114
Energy: 0.52323449020443
Energy: 0.5328456892068167
Energy: 0.5967832240003171
Energy: 0.5496548718837918
Energy: 0.5232344901977305
Energy: 0.532845689208597
Energy: 0.5967832239990054
Energy: 0.5185623773650684
Energy: 0.5396107617205368
Energy: 0.596569880272229
Energy: 0.5352391176629683
Energy: 0.5185623773591652
Energy: 0.539610761722364
Energy: 0.5965698802717136
Energy: 0.555325037911547
Energy: 0.53433270022693
Energy: 0.6159237134658956
Energy: 0.5591126894905479
Energy: 0.5553250379285537
Energy: 0.534332700231334
Energy: 0.6159237134779829
Energy: 0.5184014182178149
Energy: 0.5310101034284704
Energy: 0.6164832029986175
Energy: 0.5633918728887245
Energy: 0.5184014182195952
Energy: 0.5310101034279551
Energy: 0.6164832029936983
Energy: 0.545216019259833
Energy: 0.5345695390768446
Energy: 0.6178674119038042
Energy: 0.5694508783618574
Energy: 0.5452160192641902
Energy: 0.534569539080452
Energy: 0.6178674119050692
Energy: 0.5271711437592166
Energy: 0.5278247322907426
Energy: 0.6141845072825848
Energy: 0.5366104237120042
Energy: 0.527171143758467
Energy: 0.5278247322835277
Energy: 0.6141845072802422
Energy: 0.5102991526946749
Energy: 0.5331549065205847
Energy: 0.596777590769594
Energy: 0.5575758314712593
Energy: 0.5102991526851642
Energy: 0.5331549065156655
Energy: 0.5967775907734357

minimum gb energy = 0.4954929820408919 eV
minimum distance =  2.546611235192 Angstroms
sigma value = 365


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

Energy: 0.48663454107486753
Energy: 0.48721560105407336
Energy: 0.6000451581036446
Energy: 0.48721560105291145
Energy: 0.48663454107428666
Energy: 0.48721560105407336
Energy: 0.6295744944249448
Energy: 0.48663454107428666
Energy: 0.4872156010505876
Energy: 0.6546765667234071
Energy: 0.48721560104942563
Energy: 0.4866345410731247
Energy: 0.48721560105291145
Energy: 0.6295744944266877
Energy: 0.4866345410766104
Energy: 0.48721560105407336
Energy: 0.6001890963802707
Energy: 0.4872156010534924
Energy: 0.48663454107486753
Energy: 0.48721560105174944
Energy: 0.6295744944266877
Energy: 0.4866345410754485
Energy: 0.4872156010534924
Energy: 0.4526821262087671
Energy: 0.4872156010534924
Energy: 0.48663454107486753
Energy: 0.4872156010534924
Energy: 0.6295744944255258
Energy: 0.48663454107777243
Energy: 0.48721560105174944
Energy: 0.6546765667210833
Energy: 0.48721560105116857
Energy: 0.48663454107486753
Energy: 0.48721560105407336
Energy: 0.6295744944249448
Energy: 0.4866345410760295
Energy: 0.4872156010534924
Energy: 0.6245593869412909
Energy: 0.48721560105291145
Energy: 0.48663454107370563
Energy: 0.48721560104942563
Energy: 0.6295744944272686
Energy: 0.4866345410754485
Energy: 0.48721560105407336
Energy: 0.45268281535851035
Energy: 0.4872156010534924
Energy: 0.48663454107486753
Energy: 0.4872156010534924
Energy: 0.6295744944266877
Energy: 0.48663454107486753
Energy: 0.4872156010505876
Energy: 0.6546765667228263
Energy: 0.4872156010500066
Energy: 0.4866345410725437
Energy: 0.4872156010523304
Energy: 0.6295744944272686
Energy: 0.48663454107719145
Energy: 0.4872156010534924
Energy: 0.6295744944255258
Energy: 0.48721560105407336
Energy: 0.4866345410766104
Energy: 0.48721560105174944
Energy: 0.6295744944272686
Energy: 0.4866345410760295
Energy: 0.48721560105291145
Energy: 0.6000451584450929
Energy: 0.48721560105291145
Energy: 0.48663454107486753
Energy: 0.4872156010523304
Energy: 0.6295744944243638
Energy: 0.48663454107777243
Energy: 0.48721560105174944
Energy: 0.6546765667210833
Energy: 0.48721560105116857
Energy: 0.4866345410760295
Energy: 0.48721560105407336
Energy: 0.6295744944272686
Energy: 0.4866345410754485
Energy: 0.4872156010523304
Energy: 0.6295744944237828
Energy: 0.48721560105291145
Energy: 0.48663454107370563
Energy: 0.4872156010500066
Energy: 0.6295744944266877
Energy: 0.48663454107486753
Energy: 0.4872156010534924
Energy: 0.6295744944272686
Energy: 0.4872156010534924
Energy: 0.48663454107428666
Energy: 0.48721560105291145
Energy: 0.6295744944272686
Energy: 0.4866345410754485
Energy: 0.4872156010505876
Energy: 0.6295744944301735
Energy: 0.4872156010500066
Energy: 0.48663454107370563
Energy: 0.4872156010523304
Energy: 0.6295744944278496
Energy: 0.48663454107719145
Energy: 0.4872156010534924
Energy: 0.6295744944249448
Energy: 0.4872156010534924
Energy: 0.4866345410754485
Energy: 0.48721560105116857
Energy: 0.6295744944284306
Energy: 0.4866345410760295
Energy: 0.48721560105291145
Energy: 0.6295744944266877
Energy: 0.48721560105291145
Energy: 0.48663454107428666
Energy: 0.48721560105291145
Energy: 0.6295744944272686
Energy: 0.48663454107777243
Energy: 0.48721560105174944
Energy: 0.6295744944301735
Energy: 0.48721560105116857
Energy: 0.4866345410754485
Energy: 0.4872156010534924
Energy: 0.6295744944284306
Energy: 0.48663454107486753
Energy: 0.4872156010534924
Energy: 0.6295744944261068
Energy: 0.48721560105291145
Energy: 0.4866345410725437
Energy: 0.48721560104942563
Energy: 0.6295744944266877
Energy: 0.4866345410766104
Energy: 0.48721560105407336
Energy: 0.6295744944266877
Energy: 0.4872156010534924
Energy: 0.4866345410754485
Energy: 0.4872156010534924
Energy: 0.6295744944272686
Energy: 0.4866345410760295
Energy: 0.4872156010500066
Energy: 0.6295744944295925
Energy: 0.4872156010500066
Energy: 0.48663454107486753
Energy: 0.4872156010523304
Energy: 0.6295744944290116

minimum gb energy = 0.4526821262087671 eV
minimum distance =  2.64398997889667 Angstroms
sigma value = 23