Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001
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=3.9946083426475534
cohesive_energy=3.2851228778493895
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5887970052171996e-19, 3.1784460718282196e-19, 3.5843415002857797e-19, 3.88870699544676e-19, 4.11757792761366e-19, 4.30101113044032e-19, 4.4510069069154e-19, 4.575159574284059e-19, 4.67869222837314e-19, 4.765498158403259e-19, 4.8390540876702e-19, 4.9049836561593e-19, 4.973861229654959e-19, 5.0462956352781e-19, 5.1047270171200795e-19, 5.146752110229899e-19, 5.178475207583099e-19, 5.20340507600814e-19, 5.22306378330732e-19, 5.23825241779764e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26153204428966e-19, 5.2629259379612395e-19, 5.261451935457959e-19, 5.25691777558374e-19, 5.24885882711472e-19, 5.23730713358358e-19, 5.22295163094294e-19, 5.20753869172386e-19, 5.19082798943124e-19, 5.1667793181549e-19, 5.130794430955259e-19, 5.08293741489768e-19, 5.023384509411899e-19, 4.951190430283859e-19, 4.86475300087956e-19, 4.76232584866794e-19, 4.645959759740519e-19, 4.52978593200918e-19, 4.3992566016372e-19, 4.2190437738448797e-19, 3.9957644381306395e-19, 3.7310528146611595e-19, 3.43056458695446e-19, 3.0748172871410996e-19, 2.6524514828860197e-19, 2.28476796714936e-19, 1.8313359579610198e-19, 1.3462048840689898e-19, 1.046524153385826e-19, 1.2545988328434058e-19, 2.9161216915434e-19, 9.44991015735978e-19]
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: -6.30324146298057e-20 eV

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

Energy: 0.01270768687068666
Energy: 0.30942984312685634
Energy: 0.1759812351104102
Energy: 0.4205585487856706
Energy: 0.4179146552185386
Energy: 0.1620112999167909
Energy: 0.013086481185604284
Energy: 0.04584957042492804
Energy: 0.3131174326605852
Energy: 0.12959369054747832
Energy: 0.17767364930824717
Energy: 0.31139851431375865
Energy: 0.013651452106708048
Energy: 0.0468589700632553
Energy: 0.012977082732602254
Energy: 0.3133713712576107
Energy: 0.2772310641464445
Energy: 0.17588893244472184
Energy: 0.31183101636904637
Energy: 0.048506848585552764
Energy: 0.04767401814081382
Energy: 0.014312022666015547
Energy: 0.3161782267545679
Energy: 0.1766478682878861
Energy: 0.41863204984186975
Energy: 0.4180137407808525
Energy: 0.04611391957891131
Energy: 0.013461195373807048
Energy: 0.045939027019823823
Energy: 0.4184637819187363
Energy: 0.13122313428185578
Energy: 0.17778699452535557
Energy: 0.311993763856912
Energy: 0.013520772947705683
Energy: 0.04672672545406238
Energy: 0.013011513143702578
Energy: 0.31781194916014327
Energy: 0.17539114103812242
Energy: 0.17595462412626417
Energy: 0.3389245655163941
Energy: 0.04575049609020388
Energy: 0.04742121473259693

minimum gb energy = 0.01270768687068666 eV
minimum distance =  2.79705167166408 Angstroms
sigma value = 5


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

Energy: 0.5640706346133567
Energy: 0.5056827159981019
Energy: 0.5833561989735288
Energy: 0.5266663670957282
Energy: 0.5480836344101595
Energy: 0.5265583925919538
Energy: 0.5778595845226101
Energy: 0.4959379986873338
Energy: 0.5302416441412537
Energy: 0.5061343707587768
Energy: 0.5298713063198045
Energy: 0.49784562402391214
Energy: 0.501412736570896
Energy: 0.5291416758515092
Energy: 0.49428983358985007
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Energy: 0.528397435349913
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Energy: 0.5163387573416616
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Energy: 0.5276517936914878
Energy: 0.5052512828986881
Energy: 0.532867598082447
Energy: 0.5310772255807543
Energy: 0.5047455372464781
Energy: 0.5240682377985922
Energy: 0.5067387853663295
Energy: 0.5279490568954381
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Energy: 0.5044613837291485
Energy: 0.5206338178124522
Energy: 0.5035141458841204
Energy: 0.503787074718574
Energy: 0.5239822278821931
Energy: 0.5032049035196771
Energy: 0.51229043776391
Energy: 0.5669554912290129
Energy: 0.563655373206236
Energy: 0.5298855720521468
Energy: 0.5311045712654346
Energy: 0.538619136434149
Energy: 0.534875591660101
Energy: 0.4985968253138233
Energy: 0.5047061843597835
Energy: 0.54415753329199
Energy: 0.496517577771594
Energy: 0.5411859423168847
Energy: 0.5337201343830467
Energy: 0.4990071072417982
Energy: 0.550855000438432
Energy: 0.5322505911501982
Energy: 0.5370038973225993
Energy: 0.5320203136720415
Energy: 0.537052511223186
Energy: 0.5269138222610814
Energy: 0.515464349832099
Energy: 0.5213135778171502
Energy: 0.5140088962260604
Energy: 0.5059858955201337
Energy: 0.5048542218536519
Energy: 0.5360924757948589
Energy: 0.519188013309852
Energy: 0.5050675232123062
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Energy: 0.5552456335589445
Energy: 0.5185960162611064
Energy: 0.5431321658873248
Energy: 0.5243426321453868
Energy: 0.5159251132169247

minimum gb energy = 0.49425015786560306 eV
minimum distance =  2.50255670462587 Angstroms
sigma value = 401


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

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Energy: 0.5965344737294758
Energy: 0.5557605500823142
Energy: 0.519056333735597
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Energy: 0.5301791706949243
Energy: 0.5207628119252542
Energy: 0.5000134427628672
Energy: 0.5051819324156358
Energy: 0.48697786991334835
Energy: 0.5068423053527744
Energy: 0.5245285647105836
Energy: 0.5158507851425581
Energy: 0.5110196123598472
Energy: 0.5006893642666639
Energy: 0.5041779612978152
Energy: 0.492517613515558
Energy: 0.5698540316282129
Energy: 0.5107174105001772
Energy: 0.4953279186078688
Energy: 0.517572980036552
Energy: 0.5090551038242837
Energy: 0.5024451573509097
Energy: 0.5165657664896829
Energy: 0.5187786628297425
Energy: 0.5433669714742326
Energy: 0.5008010244688229
Energy: 0.5133635473320889
Energy: 0.5323059225876683
Energy: 0.5251696594217612
Energy: 0.5564089394736917
Energy: 0.5040083433845794
Energy: 0.502438814777922
Energy: 0.496098118398204
Energy: 0.5190033811513958
Energy: 0.5720840736937444
Energy: 0.5159307650437512
Energy: 0.5163541804816263
Energy: 0.4931451606520551
Energy: 0.5263074963126124
Energy: 0.4949058897855747
Energy: 0.5106439573207481
Energy: 0.5734162614097399
Energy: 0.5222239804563757
Energy: 0.5097580768981029
Energy: 0.49401720920502307
Energy: 0.517176360940313
Energy: 0.4980070715741207
Energy: 0.5094474901016337
Energy: 0.531888904539353
Energy: 0.48698030668835396
Energy: 0.5503346529049669
Energy: 0.5348097020788698
Energy: 0.5203649421222973
Energy: 0.5051483264496599
Energy: 0.5037480760771907
Energy: 0.5003878000497474
Energy: 0.5204155034491205
Energy: 0.5425611999856451
Energy: 0.4958897142749989
Energy: 0.5231000808290633
Energy: 0.5049825223181543
Energy: 0.530856712729727
Energy: 0.4968128134895279
Energy: 0.503996180558872
Energy: 0.4937372450650256
Energy: 0.4932746062599143
Energy: 0.509767874283759
Energy: 0.5538658080849855
Energy: 0.5246090681545552
Energy: 0.4991800175760924
Energy: 0.5019708867442685
Energy: 0.48824106502729153
Energy: 0.4899954096566887
Energy: 0.5197623657691227
Energy: 0.5079615592782558
Energy: 0.5308271559145912
Energy: 0.504004947212199
Energy: 0.5049646415571167
Energy: 0.49125357109246054
Energy: 0.5108229721791289
Energy: 0.5214858889655639
Energy: 0.5588850015735741
Energy: 0.5095278454569764
Energy: 0.5482230678674552
Energy: 0.5052718080546316
Energy: 0.5248481308673538
Energy: 0.5660643226459248
Energy: 0.5284634567598564
Energy: 0.4951364566402353
Energy: 0.5260769824719455
Energy: 0.5129243095867817
Energy: 0.5682728475268218
Energy: 0.5359582553080793
Energy: 0.5195138212988553
Energy: 0.5160117702096189
Energy: 0.5005653558986852
Energy: 0.5094758087581761
Energy: 0.5321176298011987
Energy: 0.5233160984056353
Energy: 0.5671782318227662
Energy: 0.5158221471313336
Energy: 0.5200099053986796
Energy: 0.5155826785139886
Energy: 0.5137277205755605
Energy: 0.5107164439623093
Energy: 0.5176522619224111
Energy: 0.5206636284532532
Energy: 0.4884274523677273
Energy: 0.5234478697269785

minimum gb energy = 0.47804905414045157 eV
minimum distance =  2.51536086834207 Angstroms
sigma value = 311


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

Energy: 0.5315344639949446
Energy: 0.6119937043506863
Energy: 0.5415556744327711
Energy: 0.5163415273094413
Energy: 0.5738559034930614
Energy: 0.5351163018350102
Energy: 0.5433507004717655
Energy: 0.5204237883263771
Energy: 0.5153527402875432
Energy: 0.5153982623876711
Energy: 0.5118914721088529
Energy: 0.5415620653787407
Energy: 0.5201863967254768
Energy: 0.52486118973382
Energy: 0.5240972323393985
Energy: 0.5256063762286575
Energy: 0.5101217579542252
Energy: 0.5316423106597238
Energy: 0.5298447545358566
Energy: 0.5138788573688562
Energy: 0.5163022134757432
Energy: 0.5173546138483771
Energy: 0.5218159577279492
Energy: 0.5245681151072134
Energy: 0.5563733883732941
Energy: 0.5277666443241061
Energy: 0.5148944430232701
Energy: 0.5416004581787756
Energy: 0.5310973837902485
Energy: 0.5273277240673323
Energy: 0.52556769018918
Energy: 0.5262168109838183
Energy: 0.5179288808104837
Energy: 0.52451405402675
Energy: 0.5312683220112984
Energy: 0.5086627296929168
Energy: 0.5103827362141714
Energy: 0.514628200503729
Energy: 0.5063157600627142
Energy: 0.5066827042950394
Energy: 0.5076975067417318
Energy: 0.5315203409190387
Energy: 0.5425389663562546
Energy: 0.5128608689702515
Energy: 0.5519488703444403
Energy: 0.5162162141842142
Energy: 0.5180575099573551
Energy: 0.5132749206908646
Energy: 0.5265880308051429
Energy: 0.5211400059643009
Energy: 0.5121467149830393
Energy: 0.5307840078683168
Energy: 0.5301067380970534
Energy: 0.5270197665915216
Energy: 0.5213238102513169
Energy: 0.5250363042826626
Energy: 0.5332163861548538
Energy: 0.5176713063353783
Energy: 0.5293020477539412
Energy: 0.5170803624727176
Energy: 0.5157378800464852
Energy: 0.5178189103278722
Energy: 0.5274554518447919
Energy: 0.5223884603304725
Energy: 0.5610769789205833
Energy: 0.5234351277306871
Energy: 0.519049763439474
Energy: 0.546615015290756
Energy: 0.523589933638847
Energy: 0.5440399165453932
Energy: 0.5253094809876172
Energy: 0.5194519803328309
Energy: 0.5118431224712237
Energy: 0.5285163958736916
Energy: 0.5173228751046749
Energy: 0.5292507199314276
Energy: 0.5132478225034477
Energy: 0.5171168086542569
Energy: 0.5280014067380949
Energy: 0.5104491935654784
Energy: 0.5067180428398114
Energy: 0.5237704444959541
Energy: 0.5147541647330417
Energy: 0.5284691905012207
Energy: 0.5354206074076397
Energy: 0.5607674085908261
Energy: 0.5528864269878887
Energy: 0.515571996351661
Energy: 0.5178059872324489
Energy: 0.5183353579008454
Energy: 0.5384743182322622
Energy: 0.5200487789777516
Energy: 0.5239782347547015
Energy: 0.5335370196401833
Energy: 0.5282851892997692
Energy: 0.5557623692255514
Energy: 0.5442155743073083
Energy: 0.5403375835834369
Energy: 0.5151740999785978
Energy: 0.5122168030862597
Energy: 0.543042810414738
Energy: 0.5197409093799205
Energy: 0.5199756134998679
Energy: 0.5188787785648908
Energy: 0.5182591822989439
Energy: 0.5162718739079953
Energy: 0.5136345430232433
Energy: 0.5055705200579372
Energy: 0.5073599769750268
Energy: 0.5281697165750583
Energy: 0.5179532238490326
Energy: 0.5311514384771245
Energy: 0.5198770601971253
Energy: 0.5191749748662599
Energy: 0.5094887842611849
Energy: 0.5545643178174955
Energy: 0.5132896221445745
Energy: 0.5003380193236602
Energy: 0.5119080575865383
Energy: 0.5072839356294033
Energy: 0.5172576124483355
Energy: 0.5115893941505459
Energy: 0.5260476881391806
Energy: 0.5187178831792764
Energy: 0.5023740491516184
Energy: 0.5233680384911442
Energy: 0.5602385162925706
Energy: 0.5190031818490685
Energy: 0.5116296018142521
Energy: 0.5429287810056588
Energy: 0.5148208716005925
Energy: 0.5250297583868764
Energy: 0.52160740007761
Energy: 0.5444363016203639
Energy: 0.5303588156578253
Energy: 0.5456141713990689
Energy: 0.5320269246892043
Energy: 0.5457177851356431
Energy: 0.5095472110613521
Energy: 0.552516280185667
Energy: 0.5389401123190208
Energy: 0.5225040505089226
Energy: 0.5249487972315425
Energy: 0.5251405565635195
Energy: 0.5200227091899424
Energy: 0.5122387318172986
Energy: 0.5229113447184207
Energy: 0.5303755757079397
Energy: 0.5103174408820033
Energy: 0.523885329115206
Energy: 0.5149661560954496
Energy: 0.5349907356839612
Energy: 0.5245422593981597
Energy: 0.5160802810766327
Energy: 0.5156523579441492
Energy: 0.5210335625471051
Energy: 0.5220081876752755
Energy: 0.5421734034816391
Energy: 0.5151045487103092
Energy: 0.5209892905318141
Energy: 0.5270659638789493
Energy: 0.5504220065476718
Energy: 0.5114086213647703
Energy: 0.5106125120288917
Energy: 0.505411125491976
Energy: 0.5246788067810463
Energy: 0.5126972889845146
Energy: 0.5195450005328778
Energy: 0.5413025722295196
Energy: 0.5308307412900829
Energy: 0.5594736684498623
Energy: 0.5159876692115576
Energy: 0.5177028959588308
Energy: 0.5194490060030083
Energy: 0.5356076649282709
Energy: 0.5225034759323931
Energy: 0.5300180286029794
Energy: 0.5242297118605999
Energy: 0.5506943329887535
Energy: 0.5536020829129901
Energy: 0.5515136179168653
Energy: 0.5718634420937012
Energy: 0.5430129445509914
Energy: 0.5166078143022635
Energy: 0.5191054943289134
Energy: 0.5259881548703144
Energy: 0.5110571042550068
Energy: 0.5485939043244656
Energy: 0.5524508614554695
Energy: 0.5277089061290714
Energy: 0.5069885413577522
Energy: 0.515005639116606
Energy: 0.5169621351364894
Energy: 0.5324097650971306
Energy: 0.5159444124272186
Energy: 0.5294108316150412
Energy: 0.5200895078207562
Energy: 0.5291431164944617
Energy: 0.5210280674084096
Energy: 0.5292073933748859
Energy: 0.5128771000044455
Energy: 0.5160244660044209
Energy: 0.5364564881844925
Energy: 0.5306636859351448
Energy: 0.51177438368681
Energy: 0.5485863148794781
Energy: 0.5057443898953173
Energy: 0.5186084922724604
Energy: 0.5234078190517143
Energy: 0.526126954248374
Energy: 0.5566738797471056
Energy: 0.5372146475486529
Energy: 0.5142178866008305
Energy: 0.5167989598821529
Energy: 0.5242023155568837
Energy: 0.5216557854683027
Energy: 0.5346203947073979
Energy: 0.527900204869125
Energy: 0.526443376920864
Energy: 0.5239978207236683
Energy: 0.5331419813042277
Energy: 0.5555492185197298
Energy: 0.5190546559208364
Energy: 0.5743725999885734
Energy: 0.5468872783651324
Energy: 0.5202670809588659
Energy: 0.5120172865334108
Energy: 0.525250381861564
Energy: 0.5306448660120869
Energy: 0.5333940159608038
Energy: 0.5358446386248467
Energy: 0.5259412397181367
Energy: 0.5212263723416112
Energy: 0.5145754741161144
Energy: 0.5123504164465051
Energy: 0.5243532740726118
Energy: 0.5241884722123697
Energy: 0.5265533015379772
Energy: 0.5178443507597031
Energy: 0.5326508422620027
Energy: 0.5081406423128546
Energy: 0.5104017541225159
Energy: 0.5255389138555878
Energy: 0.5290841718254086
Energy: 0.5457870211191934
Energy: 0.5271561841258847
Energy: 0.5358435812297375
Energy: 0.549614255647046
Energy: 0.5080585998075168
Energy: 0.5122998832202086
Energy: 0.5307505965832603
Energy: 0.529438852414236

minimum gb energy = 0.5003380193236602 eV
minimum distance =  2.51210011527682 Angstroms
sigma value = 39


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

Energy: 0.4826802246760478
Energy: 0.5355247577198625
Energy: 0.6657103286241327
Energy: 0.5881599750778413
Energy: 0.511533107426052
Energy: 0.5342127654490693
Energy: 0.47743272206417936
Energy: 0.5104269489893235
Energy: 0.5382459072595999
Energy: 0.5344659899070606
Energy: 0.5280221738891002
Energy: 0.5100666354708222
Energy: 0.5103197057624292
Energy: 0.5344345734084086
Energy: 0.5097483483672537
Energy: 0.4964345352183285
Energy: 0.49453940436019106
Energy: 0.544443427614798
Energy: 0.5203336085544878
Energy: 0.5090607709101094
Energy: 0.5373771662972869
Energy: 0.5033026594051723
Energy: 0.4960154594342528
Energy: 0.5299459207681586
Energy: 0.5025826837733529
Energy: 0.5146264571131992
Energy: 0.5508158068375646
Energy: 0.5652455444818208
Energy: 0.5254485452634425
Energy: 0.5105536774889986
Energy: 0.5477723830684649
Energy: 0.4962191389759047
Energy: 0.5355828443168337
Energy: 0.49570467641869576
Energy: 0.5113268378765863
Energy: 0.4780706235599538
Energy: 0.5099632130892584
Energy: 0.4940229087108234
Energy: 0.4968812050416497
Energy: 0.5250916938162381
Energy: 0.5087941690150073
Energy: 0.5336380605454077
Energy: 0.5035258724351787
Energy: 0.507674627750839
Energy: 0.4939876247633007
Energy: 0.5383913201524734
Energy: 0.4800532143014079
Energy: 0.47785137626168384
Energy: 0.5118522286275253
Energy: 0.47859788275751886
Energy: 0.5251694754190597
Energy: 0.5327430704773102
Energy: 0.4968339843055602
Energy: 0.543437148317025
Energy: 0.4946175339244018
Energy: 0.5483139131179152
Energy: 0.4788501508889983
Energy: 0.5255738124065314
Energy: 0.5407921497083399
Energy: 0.49715761806270575
Energy: 0.508949858048987
Energy: 0.5015690527848414
Energy: 0.5478592164056413
Energy: 0.5036971747442124
Energy: 0.5081585263365292
Energy: 0.5499387313495496
Energy: 0.5319781256640413
Energy: 0.5262857554508662
Energy: 0.5084012113930696
Energy: 0.5094649493377629
Energy: 0.5045341809828064
Energy: 0.4942652021280906
Energy: 0.49120491351822787
Energy: 0.49448262575515806
Energy: 0.5247577389325028
Energy: 0.5157584690324162
Energy: 0.5345341267278007
Energy: 0.5276114952475067
Energy: 0.5099024808836884
Energy: 0.5529606916948648
Energy: 0.49638090582058053
Energy: 0.5143258010495129
Energy: 0.49609892123815197
Energy: 0.5133141635305286
Energy: 0.47725159286652324
Energy: 0.5100129260585895
Energy: 0.5444367374005652
Energy: 0.49674747601703445
Energy: 0.5457617130575051
Energy: 0.5502186902390162
Energy: 0.5111531258509855
Energy: 0.5323117933333417
Energy: 0.47924886763364416
Energy: 0.49425087583454186
Energy: 0.5356014918174047
Energy: 0.47666731284533026
Energy: 0.48000958816182315
Energy: 0.5424803325631676
Energy: 0.4957919796302679
Energy: 0.5074500197262442
Energy: 0.4937429347163806
Energy: 0.5360317685783197
Energy: 0.47651294931632754
Energy: 0.4765680696675194
Energy: 0.5125843357905993
Energy: 0.4826032673459057
Energy: 0.5505314001427075
Energy: 0.5206099535551542
Energy: 0.4961494226333964
Energy: 0.524367435099313
Energy: 0.5342729812433532
Energy: 0.476707780244086
Energy: 0.5097444111672093
Energy: 0.5383321100193029
Energy: 0.5343224852994933
Energy: 0.5296995734498493
Energy: 0.5097605496663795
Energy: 0.5102039036957571
Energy: 0.5126737318957503
Energy: 0.5095451532565207
Energy: 0.4966410020312363
Energy: 0.49530721065322547
Energy: 0.5445227687915137
Energy: 0.520737873316637
Energy: 0.5091311511163314
Energy: 0.5379719378741376
Energy: 0.5035340252167574
Energy: 0.4963975579407235
Energy: 0.5299756599293952
Energy: 0.502691851144568
Energy: 0.5368746890423463
Energy: 0.5374991311231708
Energy: 0.5652912550949027
Energy: 0.5122803798474319
Energy: 0.5105137489208043
Energy: 0.5478240867214837
Energy: 0.4950358722471294
Energy: 0.5338309056691537
Energy: 0.5352114449897896
Energy: 0.5112893609860794
Energy: 0.4762203415522786
Energy: 0.5098053149402152
Energy: 0.4937951004176796
Energy: 0.49687658343055585
Energy: 0.524801012671892
Energy: 0.47673771754264643
Energy: 0.5302966745981947
Energy: 0.5035134623049413
Energy: 0.5077746697512093
Energy: 0.49389773650753654
Energy: 0.5337033050758059
Energy: 0.4801538027626622
Energy: 0.47837351129237077
Energy: 0.5120991849493807
Energy: 0.47880995251393726
Energy: 0.5253045022796393
Energy: 0.5319831571035984
Energy: 0.49665982173717294
Energy: 0.5432008576545533
Energy: 0.4945751414246241
Energy: 0.5479934871388117
Energy: 0.47728470716918564
Energy: 0.5258284419757715
Energy: 0.553584327549847
Energy: 0.49663563006344585
Energy: 0.5089609248951021
Energy: 0.4957267460094596
Energy: 0.5339892594975709
Energy: 0.5037382430047624
Energy: 0.5115225357988412
Energy: 0.4959829456294171
Energy: 0.5309447969934673
Energy: 0.518998670285156
Energy: 0.5084888118846222
Energy: 0.5093413839409984
Energy: 0.5044165181815581
Energy: 0.4940422208024093
Energy: 0.4910520259759598
Energy: 0.49491577282346416
Energy: 0.5248463810126407
Energy: 0.4939813317076722
Energy: 0.5345720340982385
Energy: 0.527077205779661
Energy: 0.5102660667612818
Energy: 0.49427872431372816
Energy: 0.49629272180857475
Energy: 0.5314307776228919
Energy: 0.49571633690999134
Energy: 0.5144309539441293
Energy: 0.4775488751099456
Energy: 0.510132474157125
Energy: 0.5443563449505603
Energy: 0.49543589408356176
Energy: 0.5456832335301535
Energy: 0.5492668090143379
Energy: 0.5116073601899729
Energy: 0.504381400030336
Energy: 0.479576653947613
Energy: 0.4940161906810679
Energy: 0.5554980591671708
Energy: 0.47672759195988185
Energy: 0.4797201888024734
Energy: 0.5442108210585327
Energy: 0.4771124716783847
Energy: 0.5074543037729473
Energy: 0.4938669036385773
Energy: 0.4998905139940587
Energy: 0.4766185819757001
Energy: 0.4765252726352337
Energy: 0.5127325460426785

minimum gb energy = 0.4762203415522786 eV
minimum distance =  2.52216450905608 Angstroms
sigma value = 21


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

Energy: 0.6008593881736203
Energy: 0.539233116471691
Energy: 0.5179897022726525
Energy: 0.6653968347799644
Energy: 0.49552660295666034
Energy: 0.5386585020392228
Energy: 0.5946682291681192
Energy: 0.49798785472392143
Energy: 0.547757254785365
Energy: 0.5669744766984287
Energy: 0.5071894324549779
Energy: 0.46512686869863723
Energy: 0.553843273358933
Energy: 0.5040574002392978
Energy: 0.49367565136368097
Energy: 0.5248479560936785
Energy: 0.5241927970348813
Energy: 0.4852065984357768
Energy: 0.5439632480454575
Energy: 0.5429737615492749
Energy: 0.504668255791812
Energy: 0.6126588325577493
Energy: 0.4712494675767566
Energy: 0.5074995137942802
Energy: 0.5102029918137101
Energy: 0.5185896745554556
Energy: 0.49481125417674965
Energy: 0.5587387727400561
Energy: 0.48902128984882876
Energy: 0.4941405610392662
Energy: 0.5062280158744468
Energy: 0.47900095026779826
Energy: 0.47695751681615206
Energy: 0.4958288631143255
Energy: 0.4958767082976036
Energy: 0.47762351035463047
Energy: 0.46789565613996864
Energy: 0.5195575931506711
Energy: 0.47484468916291317
Energy: 0.4622204074129668
Energy: 0.4957643653119083
Energy: 0.49585885096300075
Energy: 0.5655218646478669
Energy: 0.476479995327325
Energy: 0.4948979340151345
Energy: 0.4982416860272833
Energy: 0.4781021184806194
Energy: 0.47885862569175885
Energy: 0.4930860568337584
Energy: 0.4939418975577443
Energy: 0.4808661924305153
Energy: 0.5175816919282229
Energy: 0.5409698846138231
Energy: 0.5078840780955727
Energy: 0.48960758506646457
Energy: 0.4960455809908623
Energy: 0.5042598756408447
Energy: 0.4766839530476241
Energy: 0.5016529206642621
Energy: 0.5139516419084197
Energy: 0.46508504493629144
Energy: 0.5589761833706373
Energy: 0.5039952613358841
Energy: 0.6094589406146321
Energy: 0.5223548135627888
Energy: 0.5688588836961491
Energy: 0.569994524785106
Energy: 0.49669986334038846
Energy: 0.4955940675864526
Energy: 0.6101664455884476
Energy: 0.5354436950144988
Energy: 0.5149875222419124
Energy: 0.5075588581615184
Energy: 0.542018376236204
Energy: 0.5327514027610835
Energy: 0.4772456514736624
Energy: 0.5012326674041103
Energy: 0.5248939229888108
Energy: 0.516867461697275
Energy: 0.5691745900886839
Energy: 0.5140129001429153
Energy: 0.5831575752218471
Energy: 0.582632154564414
Energy: 0.5603507610843341
Energy: 0.5843939994656351
Energy: 0.4967215339173719
Energy: 0.5419855578389972
Energy: 0.5677713332105117
Energy: 0.5517610596701322
Energy: 0.5245464782387154
Energy: 0.4778614485084288
Energy: 0.5807818708858318
Energy: 0.5439626119408901
Energy: 0.5303554752842691
Energy: 0.5193196251533635
Energy: 0.5083789876147718
Energy: 0.5014748057350339
Energy: 0.49655363130869384
Energy: 0.49348689853556144
Energy: 0.4951246492345168
Energy: 0.5667071824352354
Energy: 0.47781049548540266
Energy: 0.6222075686166451
Energy: 0.609259918530138
Energy: 0.5773839430385515
Energy: 0.6048511878861854
Energy: 0.4927367698858326
Energy: 0.5228106157193272
Energy: 0.5131350893696935
Energy: 0.5209509214528029
Energy: 0.4961901848882818
Energy: 0.5035240308582233
Energy: 0.4889877562164241
Energy: 0.5173388682601991
Energy: 0.5017644827442987
Energy: 0.4776351006745513
Energy: 0.4431483908516814
Energy: 0.4929967897896751
Energy: 0.4969774953343182
Energy: 0.47744604240418603
Energy: 0.4630942126685421
Energy: 0.5227336508973827
Energy: 0.5264885591980273
Energy: 0.47603903100837086
Energy: 0.49448816728770356
Energy: 0.49180518934511097
Energy: 0.582345933810853
Energy: 0.46208963362922983
Energy: 0.5083323688019507
Energy: 0.5365981593284307
Energy: 0.4781740473495747
Energy: 0.47734899843012035
Energy: 0.49606279086891936
Energy: 0.5372447771521472
Energy: 0.47792026845522984
Energy: 0.4960687187502418
Energy: 0.5228966640685595
Energy: 0.4916402170671041
Energy: 0.4897520778556811
Energy: 0.5045120753963622
Energy: 0.4940518401476531
Energy: 0.4639445235993102
Energy: 0.5068277573692676
Energy: 0.5013516227213836
Energy: 0.4777377118431304
Energy: 0.5604645659776073
Energy: 0.505198191746674
Energy: 0.5417448427907218
Energy: 0.4900929507192167
Energy: 0.5057165475863791
Energy: 0.5162338239705891
Energy: 0.4737792392417845
Energy: 0.4936751876190137
Energy: 0.4977510950588836
Energy: 0.6070726111094178
Energy: 0.46574992822140443
Energy: 0.5450288914003565
Energy: 0.568590685209308
Energy: 0.514561672004506
Energy: 0.5315490550084266
Energy: 0.48988570619867466
Energy: 0.5368850286765365
Energy: 0.5098732650753522
Energy: 0.5391899929801246
Energy: 0.48744590608169364
Energy: 0.5812873742369234
Energy: 0.5811569888721919
Energy: 0.5714909354629489
Energy: 0.5827357957470868
Energy: 0.543665037307667
Energy: 0.47084139646974554
Energy: 0.538306747332548
Energy: 0.5159395142465787
Energy: 0.5203381122421133
Energy: 0.4961853948317276

minimum gb energy = 0.4431483908516814 eV
minimum distance =  2.52628676447175 Angstroms
sigma value = 113


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

Energy: 0.5895080854304885
Energy: 0.5267896330104879
Energy: 0.6493923349162278
Energy: 0.5802411418243677
Energy: 0.60267121047549
Energy: 0.5913262748294835
Energy: 0.5707308816281835
Energy: 0.5694772615933795
Energy: 0.5175715850964264
Energy: 0.6433053112948451
Energy: 0.5004488318885524
Energy: 0.5648376825569499
Energy: 0.5472366943518355
Energy: 0.5405830728587482
Energy: 0.5993187905890409
Energy: 0.5398823925641617
Energy: 0.5946598384841774
Energy: 0.5554917601089759
Energy: 0.5736422698068693
Energy: 0.5867853989190479
Energy: 0.5376654580472301
Energy: 0.6025409132018609
Energy: 0.5643571138315036
Energy: 0.5930053534016364
Energy: 0.6150392998950784
Energy: 0.5781894927683271
Energy: 0.5928276818947108
Energy: 0.5203295462151082
Energy: 0.47390910419325816
Energy: 0.5420044617255285
Energy: 0.5567285870610157
Energy: 0.5193971920594982
Energy: 0.5056581229547622
Energy: 0.48037369339344177
Energy: 0.5508648134344705
Energy: 0.522295930087877
Energy: 0.4770730069834576
Energy: 0.5065282810473091
Energy: 0.5177338906542515
Energy: 0.5393471529508519
Energy: 0.5569840048742469
Energy: 0.4886464399338567
Energy: 0.5192349672837039
Energy: 0.5009719640067144
Energy: 0.5370699415509449
Energy: 0.47684809370585524
Energy: 0.5014089766635081
Energy: 0.5388990538422445
Energy: 0.5250853169546117
Energy: 0.5365694981876804
Energy: 0.48415397361640145
Energy: 0.4857393399012757
Energy: 0.4762856946915095
Energy: 0.5308865808940765
Energy: 0.5160801146894777
Energy: 0.5109279010777636
Energy: 0.5179255951311138
Energy: 0.5368973081785319
Energy: 0.5312132001243306
Energy: 0.4821545350825938
Energy: 0.5574093933919232
Energy: 0.5644857424138852
Energy: 0.548908350196588
Energy: 0.5533267113943882
Energy: 0.5182750152772423
Energy: 0.5552248117844366
Energy: 0.48231233063592965
Energy: 0.4983560681303485
Energy: 0.506049914970286
Energy: 0.49547884072242704
Energy: 0.530038694286788
Energy: 0.4895994822852439
Energy: 0.5084006088870382
Energy: 0.47675393796868554
Energy: 0.51526596529921
Energy: 0.5123247559021298
Energy: 0.5005990784941101
Energy: 0.5216080020132048
Energy: 0.48249055372454536
Energy: 0.553494521834725
Energy: 0.5121475139199209
Energy: 0.534536837156315
Energy: 0.5799471958640978
Energy: 0.48251444831391926
Energy: 0.5645296228302016
Energy: 0.4857139691164953
Energy: 0.5124786642075834
Energy: 0.5181414952850923
Energy: 0.5009217676108232
Energy: 0.5031006929347062
Energy: 0.4788804648093126
Energy: 0.556545479174235
Energy: 0.49531262148233507
Energy: 0.4944242250907961
Energy: 0.5064869722088505
Energy: 0.490393814876514
Energy: 0.5113718008666189
Energy: 0.5268818364745644
Energy: 0.5126279308724322
Energy: 0.5159687386006128
Energy: 0.5813592425389941
Energy: 0.5209570568406262
Energy: 0.5103060846433904
Energy: 0.5441532247272053
Energy: 0.5580764933203527
Energy: 0.4725851422954544
Energy: 0.5046284913394966
Energy: 0.5207960143723185
Energy: 0.5268239956173771
Energy: 0.4931398702406584
Energy: 0.4892409872207165
Energy: 0.5386507915650302
Energy: 0.5710649738439237
Energy: 0.5433959737999968
Energy: 0.5631707237114898
Energy: 0.5409247522425569
Energy: 0.5158574981219093
Energy: 0.5655125038878367
Energy: 0.4824242972431104
Energy: 0.554049346807549
Energy: 0.5317796664123785
Energy: 0.5693625051723977
Energy: 0.5767319996101365
Energy: 0.5820157234718777
Energy: 0.5617475914589696
Energy: 0.49886647289918634
Energy: 0.5132981260481985
Energy: 0.49477920985403734
Energy: 0.5438787043394078
Energy: 0.5140684748977227
Energy: 0.5653023328502078
Energy: 0.5403192832119541
Energy: 0.5513521768787457
Energy: 0.5967011075032665
Energy: 0.5812579424353317
Energy: 0.6061435516976285
Energy: 0.6481665652017662
Energy: 0.605570987233341
Energy: 0.5915157811391833
Energy: 0.5665449837043715
Energy: 0.567314940196375
Energy: 0.5351390300646792
Energy: 0.4840137053118987
Energy: 0.535989678900245
Energy: 0.5047414578369477
Energy: 0.5831570633432648
Energy: 0.5107653405957571
Energy: 0.5707134869340003
Energy: 0.4947016322771042
Energy: 0.5452125007719439
Energy: 0.5740094753715509
Energy: 0.5052788528987799
Energy: 0.5827563876078363
Energy: 0.5392477955015694
Energy: 0.5882316658434582
Energy: 0.5216586443766384
Energy: 0.6493440555588169
Energy: 0.5789890220425172
Energy: 0.6059887984978956
Energy: 0.5912036735509594
Energy: 0.5591769887318415
Energy: 0.578115598838208
Energy: 0.5189320342284609
Energy: 0.5674434061060388
Energy: 0.5009347334084718
Energy: 0.5688203679515463
Energy: 0.5480550776949319
Energy: 0.5413882583238913
Energy: 0.551334339872302
Energy: 0.5395928487944863
Energy: 0.5647807943533774
Energy: 0.5557062824242592
Energy: 0.571804060020601
Energy: 0.5579650548198061
Energy: 0.5518861578500994
Energy: 0.6033188567833387
Energy: 0.5779107146691562
Energy: 0.5941838631218528
Energy: 0.5555539824562067
Energy: 0.5456512279532784
Energy: 0.5945954629074554
Energy: 0.5166559393745704
Energy: 0.47945794608146053
Energy: 0.5278610186410024
Energy: 0.5569711255506957
Energy: 0.51735918405841
Energy: 0.5300598042991941
Energy: 0.5401657412543687
Energy: 0.5520290183651821
Energy: 0.5218133154781871
Energy: 0.47766885447003665
Energy: 0.5821126690235644
Energy: 0.4803502809222275
Energy: 0.5396725956068327
Energy: 0.5573956734632745
Energy: 0.5365671014084988
Energy: 0.5033596249650822
Energy: 0.500297906784735
Energy: 0.5142389515392073
Energy: 0.5501266913936813
Energy: 0.512173758262516
Energy: 0.5159290414125886
Energy: 0.532936475849084
Energy: 0.5627119308307423
Energy: 0.48378317544589805
Energy: 0.5114902444195747
Energy: 0.48830326393547885
Energy: 0.49041541332221095
Energy: 0.48215258980755377
Energy: 0.4755872032198392
Energy: 0.5170861005978846
Energy: 0.5124756441609042
Energy: 0.54417942677131
Energy: 0.5186196853783138
Energy: 0.5434311327503613
Energy: 0.553949386934568
Energy: 0.5480602523591425
Energy: 0.53193656485332
Energy: 0.48939311329712315
Energy: 0.5568085522204761
Energy: 0.48196406634166156
Energy: 0.49813849665873433
Energy: 0.517247905398271
Energy: 0.49524685578883265
Energy: 0.5283489540347694
Energy: 0.48949771334390874
Energy: 0.544088002289635
Energy: 0.5115900485574606
Energy: 0.5006360843516815
Energy: 0.5026192636843865
Energy: 0.5354800984728704
Energy: 0.49762600753003655
Energy: 0.4807581712060194
Energy: 0.5536610021823378
Energy: 0.5038750579433187
Energy: 0.5388094179791638
Energy: 0.5799128899970624
Energy: 0.5107948607987729
Energy: 0.5640256528455956
Energy: 0.48005995760513015
Energy: 0.5114171705597804
Energy: 0.5181831211736344
Energy: 0.49223033817780565
Energy: 0.49509280401286054
Energy: 0.47971524153458217
Energy: 0.5552256604360042
Energy: 0.4855469617088513
Energy: 0.5379112538047351
Energy: 0.5030183001035216
Energy: 0.48867232591786885
Energy: 0.5137451530067815
Energy: 0.5274108514177445
Energy: 0.5110185205481956
Energy: 0.47978834141328947
Energy: 0.5801902215449973
Energy: 0.4799315916610323
Energy: 0.5096256708233713
Energy: 0.543904115869672
Energy: 0.47416676477499314
Energy: 0.472448336242491
Energy: 0.5209256520855872
Energy: 0.5215362697167134
Energy: 0.521082064069258
Energy: 0.5158891489395167
Energy: 0.5189042847249146
Energy: 0.5281674670648159
Energy: 0.5748557545297575
Energy: 0.5387039611447929
Energy: 0.5634228283393932
Energy: 0.5513422690911177
Energy: 0.5097242340004272
Energy: 0.557505423148881
Energy: 0.5185233377957477
Energy: 0.5555063033526285
Energy: 0.5320966332585254
Energy: 0.5696831217899071
Energy: 0.513316637118897
Energy: 0.5564265173254853
Energy: 0.5027428837343252
Energy: 0.534437371595902
Energy: 0.506037547979909
Energy: 0.4941263927808914
Energy: 0.5557476905086071
Energy: 0.5126047847966466
Energy: 0.5651829194921135
Energy: 0.519105372552516
Energy: 0.5658116090115581
Energy: 0.6011833108924591
Energy: 0.5515274808479812
Energy: 0.6052517811400321
Energy: 0.5790472740038565
Energy: 0.6051736113757363
Energy: 0.590750226813144
Energy: 0.6180069333333608
Energy: 0.5682993158495033
Energy: 0.48996139839176284
Energy: 0.48361882896146996
Energy: 0.5478281858162017
Energy: 0.505181832310734
Energy: 0.5680424356349639
Energy: 0.5396983221015641
Energy: 0.5694971965192197
Energy: 0.5520313897460327
Energy: 0.5444332294172519
Energy: 0.5517322774053051
Energy: 0.5048092649984933
Energy: 0.5830338364515751
Energy: 0.5106816488297411
Energy: 0.583316721018548
Energy: 0.5498649096687915
Energy: 0.5634045612457422
Energy: 0.5798828302599845
Energy: 0.605404807619575
Energy: 0.5913499140223536
Energy: 0.5284274428943825

minimum gb energy = 0.472448336242491 eV
minimum distance =  2.50342908729728 Angstroms
sigma value = 365


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

Energy: 0.5076766475718413
Energy: 0.5632934484859284
Energy: 0.44763624966758275
Energy: 0.4470983148173779
Energy: 0.447255535418797
Energy: 0.4806953132962716
Energy: 0.4471810402666221
Energy: 0.5020200910635372
Energy: 0.5423098098795027
Energy: 0.5006943965686736
Energy: 0.44787681258813355
Energy: 0.44781378151474666
Energy: 0.4463162748459684
Energy: 0.5421409657442215
Energy: 0.502072642418134
Energy: 0.5424229997301538
Energy: 0.4464695398089616
Energy: 0.44752356792393
Energy: 0.44784687424506087
Energy: 0.4473443402523971
Energy: 0.4475219294117258
Energy: 0.5019283181321655
Energy: 0.5419504408458433
Energy: 0.4466932101881972
Energy: 0.44741043745862674
Energy: 0.4476991717633498
Energy: 0.44635594664008243
Energy: 0.4466606388385802
Energy: 0.5233738027872598
Energy: 0.5423343956909602
Energy: 0.5026085321059084
Energy: 0.5439777468889173
Energy: 0.44791518052349544
Energy: 0.5023210485733478
Energy: 0.5425380665939761
Energy: 0.5033336180729567
Energy: 0.542333882459106
Energy: 0.44681644216738414
Energy: 0.4474564797649773
Energy: 0.44645917772484767
Energy: 0.4468812920276718
Energy: 0.4478442754206254
Energy: 0.5024701285472042
Energy: 0.5422130358462176
Energy: 0.4464648452344643
Energy: 0.4482661023857098
Energy: 0.4478927015756847
Energy: 0.4467018923882461
Energy: 0.5422062807380048
Energy: 0.5026506427746235
Energy: 0.5419409362649047
Energy: 0.44679146659659297
Energy: 0.44796786267763566
Energy: 0.44812176348000027
Energy: 0.447282007307558
Energy: 0.542252146747894
Energy: 0.5021657226102906
Energy: 0.5430554845117157
Energy: 0.44634348049261885
Energy: 0.4472226900021526
Energy: 0.44729866084198017
Energy: 0.4463031824219812
Energy: 0.44759061549789225
Energy: 0.523257570136203
Energy: 0.542549132464029
Energy: 0.5029477139864554
Energy: 0.544587646493849
Energy: 0.5417433579631199
Energy: 0.5025488278166331
Energy: 0.5419761688150913
Energy: 0.5020555546049276
Energy: 0.541859462815482
Energy: 0.4461171782350831
Energy: 0.4474584634170036
Energy: 0.4473309405548846
Energy: 0.44647093096958634
Energy: 0.4472868332578818
Energy: 0.5023935784009675
Energy: 0.5422720891432802
Energy: 0.4464565153942043
Energy: 0.44819778958727524
Energy: 0.44816446124970616
Energy: 0.4471960963347709
Energy: 0.5422104355402991
Energy: 0.5014616374023432
Energy: 0.5422648570389719
Energy: 0.446278413337884
Energy: 0.44800290053097647
Energy: 0.4478237969804611
Energy: 0.4466730233953999
Energy: 0.54202344016932
Energy: 0.5051525251362234
Energy: 0.5442443105606684
Energy: 0.44623123794376773
Energy: 0.44688515914724736
Energy: 0.4469859790886132
Energy: 0.48071034314413635
Energy: 0.44774402467080626
Energy: 0.5234909394080745
Energy: 0.5423970567520319
Energy: 0.5027495437920452
Energy: 0.4474195374226755
Energy: 0.4475551200013664
Energy: 0.4464453001774827
Energy: 0.5423376441408764
Energy: 0.5019801918447505
Energy: 0.542459395385015
Energy: 0.4467583811222985
Energy: 0.44736227898369507
Energy: 0.4475830182523274
Energy: 0.44635425609148077
Energy: 0.4481917390010479
Energy: 0.5019578352861749
Energy: 0.5422450515229862
Energy: 0.4464855854110395
Energy: 0.447685226693659
Energy: 0.4477446218486965
Energy: 0.44665994574319523
Energy: 0.44743787150499553
Energy: 0.5238430950153102
Energy: 0.5420418326548393
Energy: 0.4990254346113379
Energy: 0.44768917311652984
Energy: 0.44782348582394504
Energy: 0.4464281138795644
Energy: 0.542293015725879
Energy: 0.5056866890168894
Energy: 0.5416445222240464
Energy: 0.4473223026589639
Energy: 0.44706179954398306
Energy: 0.44657067459103145
Energy: 0.4804773977273145
Energy: 0.4470262880207875
Energy: 0.5018176705327374
Energy: 0.54237346373749
Energy: 0.44665506282681555
Energy: 0.44797239710718156
Energy: 0.4478011688965959
Energy: 0.4471099471733328
Energy: 0.5419146684873472

minimum gb energy = 0.4461171782350831 eV
minimum distance =  2.63585887640404 Angstroms
sigma value = 23