Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_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=4.049999862909317
cohesive_energy=3.3503944978124447
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: -0.00986900153303542 eV

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

Energy: 0.012638109343634355
Energy: 0.20469509567235472
Energy: 0.38948667535288334
Energy: 0.20470421362464958
Energy: 0.012638109342840985
Energy: 0.2046950956695666
Energy: 0.4665562637375317
Energy: 0.23952546739699762
Energy: 0.012995212358887898
Energy: 0.1122570127032429
Energy: 0.013061309779520903
Energy: 0.2395254673965896
Energy: 0.012995212360678639
Energy: 0.1122570127016335
Energy: 0.012638109343634355
Energy: 0.20469509567235472
Energy: 0.3894866753538807
Energy: 0.20470421362464958
Energy: 0.012638109342840985
Energy: 0.20469509566974795
Energy: 0.4665562637375317
Energy: 0.23952546739738295
Energy: 0.012995212359091906
Energy: 0.11225701270303888
Energy: 0.013061309779520903
Energy: 0.2395254673967936
Energy: 0.012995212360678639
Energy: 0.11225701270183751
Energy: 0.012638109343634355
Energy: 0.20469509567235472
Energy: 0.46655626373594494
Energy: 0.20470421362464958
Energy: 0.012638109342840985
Energy: 0.20469509566974795
Energy: 0.4665562637375317
Energy: 0.23952546739699762
Energy: 0.012995212359091906
Energy: 0.11225701270303888
Energy: 0.013061309779520903
Energy: 0.23952546739638558
Energy: 0.012995212360678639
Energy: 0.11225701270145216

minimum gb energy = 0.012638109342840985 eV
minimum distance =  2.83653976213118 Angstroms
sigma value = 5


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

Energy: 0.5579503757660168
Energy: 0.5889203635201341
Energy: 0.6350100120926524
Energy: 0.5888915434381594
Energy: 0.5579503757611871
Energy: 0.5889203635201341
Energy: 0.6350100121048373
Energy: 0.5091501055359487
Energy: 0.5396201203407638
Energy: 0.5607960315894965
Energy: 0.524023047769583
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Energy: 0.5078466167058064
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Energy: 0.6029152200931308
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Energy: 0.5386861917987009
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Energy: 0.528012221774834
Energy: 0.5482378183073789
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Energy: 0.5883931760696003
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Energy: 0.549665604851465
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Energy: 0.5247054965400654
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Energy: 0.599636655278509
Energy: 0.5287627056179245
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Energy: 0.5696615514216242
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Energy: 0.5626429494556737
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Energy: 0.5368967286293611
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Energy: 0.5626429494581107
Energy: 0.5325994129171352
Energy: 0.5177967902934101
Energy: 0.5870757305426254
Energy: 0.5147250762414034
Energy: 0.5325994129000763
Energy: 0.517796790286099
Energy: 0.5870757305401885
Energy: 0.5773236286277204
Energy: 0.5235796300294945
Energy: 0.5640602731095485
Energy: 0.5387319540145126
Energy: 0.5773236286350312
Energy: 0.5235796300441162
Energy: 0.5640602731168594
Energy: 0.5342235553606866
Energy: 0.5208670572865488
Energy: 0.5803837006965514
Energy: 0.5437146844305806
Energy: 0.5342235553631235
Energy: 0.5208670572865488
Energy: 0.5803837007282321
Energy: 0.5000917957457116
Energy: 0.5131968069902567
Energy: 0.6024419265256074
Energy: 0.5230464805314988
Energy: 0.5000917957408376
Energy: 0.5131968069878197
Energy: 0.6024419265182965
Energy: 0.5107463862334055
Energy: 0.5455665722030167
Energy: 0.6091927386997794
Energy: 0.5499437139691581
Energy: 0.5107463862285315
Energy: 0.5455665721908319
Energy: 0.6091927386973425
Energy: 0.5005580481619494
Energy: 0.5406495395839842
Energy: 0.5452548781602747
Energy: 0.519356738921973
Energy: 0.5005580481570754
Energy: 0.5406495395864211
Energy: 0.5452548781505268

minimum gb energy = 0.5000917957408376 eV
minimum distance =  2.51696512664768 Angstroms
sigma value = 401


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

Energy: 0.5634872063260389
Energy: 0.5265156949558729
Energy: 0.6369912192245318
Energy: 0.5245205597533262
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Energy: 0.5328866619979763
Energy: 0.5224866942483449
Energy: 0.5219605961707949
Energy: 0.605105976920053
Energy: 0.5142531330317385
Energy: 0.5264938939382463
Energy: 0.5606899041205561
Energy: 0.524641472517841
Energy: 0.5142531330367177
Energy: 0.5264938939404593
Energy: 0.5606899041224672
Energy: 0.5236975252639594
Energy: 0.5466038356741212
Energy: 0.5514724650205195
Energy: 0.5212394421338151
Energy: 0.5236975252700452
Energy: 0.546603835667784
Energy: 0.5514724650227324
Energy: 0.5219246691628864
Energy: 0.5484338582612105
Energy: 0.5614567844530671
Energy: 0.5216699428420827
Energy: 0.521924669163691
Energy: 0.5484338582598022
Energy: 0.5614567844536204
Energy: 0.5104563569838245
Energy: 0.5163683011976725
Energy: 0.5683102402206622
Energy: 0.5286792949126782
Energy: 0.5104563569835731
Energy: 0.5163683012089888
Energy: 0.5683102402239817
Energy: 0.5257156043763034
Energy: 0.5176557448726773
Energy: 0.5863599247279777
Energy: 0.5282114909422165
Energy: 0.5257156043718775
Energy: 0.5176557448754435
Energy: 0.5863599247315486
Energy: 0.5282562653214934
Energy: 0.5265156949547665
Energy: 0.6369912192258899
Energy: 0.524520559755841
Energy: 0.5282562653297921
Energy: 0.5265156949567279
Energy: 0.6369912192231236
Energy: 0.5133087822664512
Energy: 0.5182402644804137
Energy: 0.6202330959882975
Energy: 0.5232281554175369
Energy: 0.5133087822620251
Energy: 0.5182402644790558
Energy: 0.6202330959860846

minimum gb energy = 0.5100958371050218 eV
minimum distance =  2.53318668266612 Angstroms
sigma value = 311


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

Energy: 0.5557410375757894
Energy: 0.5398065986724238
Energy: 0.5956373289455703
Energy: 0.525365400413915
Energy: 0.5557410375741924
Energy: 0.5398065986737015
Energy: 0.5931365785806982
Energy: 0.5563476507907523
Energy: 0.5207758607066127
Energy: 0.6032793487763664
Energy: 0.5412929308469354
Energy: 0.5563476507894746
Energy: 0.520775860705974
Energy: 0.6032793487738111
Energy: 0.5408997107058889
Energy: 0.5435786973093397
Energy: 0.6289930711620653
Energy: 0.5452819660791456
Energy: 0.5408997107052501
Energy: 0.5435786973083815
Energy: 0.6132462892225258
Energy: 0.5403152282549927
Energy: 0.5242213941372832
Energy: 0.6204893362054557
Energy: 0.5254273060501129
Energy: 0.540315228253715
Energy: 0.5242213941366444
Energy: 0.6204893362044975
Energy: 0.5457493828651839
Energy: 0.5285930169708639
Energy: 0.6182994820429849
Energy: 0.5417153502819363
Energy: 0.5457493828655032
Energy: 0.5285930169711833
Energy: 0.62298095342185
Energy: 0.541517612957711
Energy: 0.5361429552377585
Energy: 0.5966421495972224
Energy: 0.5427335458446698
Energy: 0.5415176129586691
Energy: 0.5361429552409527
Energy: 0.5966421495981806
Energy: 0.5375526746938073
Energy: 0.5724030745865936
Energy: 0.5861545627541581
Energy: 0.5431193806446991
Energy: 0.5375526746934879
Energy: 0.5724030745849965
Energy: 0.5861545627538387
Energy: 0.5400428990816624
Energy: 0.5388721632260974
Energy: 0.6189896500493571
Energy: 0.5478713581478168
Energy: 0.5400428990823012
Energy: 0.5388721632248197
Energy: 0.61898965004776
Energy: 0.5451406137398872
Energy: 0.52362268822065
Energy: 0.6267062570732084
Energy: 0.5275881652849012
Energy: 0.545140613740526
Energy: 0.5236226882225664
Energy: 0.6267062570732084
Energy: 0.5272730911776667
Energy: 0.5480613255116938
Energy: 0.615603070275814
Energy: 0.5497575459186319
Energy: 0.5272730911776667
Energy: 0.548061325511055
Energy: 0.6156030702767723
Energy: 0.5644880762768552
Energy: 0.5594692325597517
Energy: 0.5769222055121217
Energy: 0.5247793352091212
Energy: 0.5644880762762162
Energy: 0.5594692325594322
Energy: 0.576922205510844
Energy: 0.5368826339082519
Energy: 0.5477992625600793
Energy: 0.654016319540407
Energy: 0.537080990689406
Energy: 0.5368826339092101
Energy: 0.5477992625591209
Energy: 0.6540163195416846
Energy: 0.5387603013777331
Energy: 0.5213682368946686
Energy: 0.5993169911526638
Energy: 0.5286317271373285
Energy: 0.5387603013780525
Energy: 0.5213682368937105
Energy: 0.5993169911545804
Energy: 0.5355453842589085
Energy: 0.5397820969582304
Energy: 0.6234231058248905
Energy: 0.5455116047944941
Energy: 0.5355453842573115
Energy: 0.5397820969588693
Energy: 0.6234231058245712
Energy: 0.554559264959244
Energy: 0.5244605937317275
Energy: 0.5972538248958283
Energy: 0.5236037014058241
Energy: 0.5545592649586052
Energy: 0.5244605937304497
Energy: 0.5972538248983836
Energy: 0.5468472426197452
Energy: 0.5328262010365112
Energy: 0.5905605685486186
Energy: 0.5446240107609386
Energy: 0.5468472426197452
Energy: 0.5328262010365112
Energy: 0.590560568546702
Energy: 0.5528049110831815
Energy: 0.532116336417338
Energy: 0.5909544359944138
Energy: 0.5410343282305923
Energy: 0.5528049110844592
Energy: 0.5321163364195739
Energy: 0.5909544359956915
Energy: 0.5382501722896156
Energy: 0.5677130521323929
Energy: 0.6280547341278662
Energy: 0.5491618714253224
Energy: 0.538250172291532
Energy: 0.5677130521346289
Energy: 0.6280547341285051
Energy: 0.5447259580422769
Energy: 0.5284397454033605
Energy: 0.6041284326560061
Energy: 0.5496990461946466
Energy: 0.544725958040041
Energy: 0.5284397454046382
Energy: 0.6041284326550478
Energy: 0.552040562217035
Energy: 0.5248586325101752
Energy: 0.611995396887907
Energy: 0.5363074152634683
Energy: 0.5520405622208681
Energy: 0.5248586325079393
Energy: 0.611995396889504
Energy: 0.5475844970992684
Energy: 0.5385328081653281
Energy: 0.584347299383367
Energy: 0.5486300394518488
Energy: 0.5475844970995878
Energy: 0.5385328081659669
Energy: 0.5892571292005409
Energy: 0.5454562958156557
Energy: 0.5582943575661079
Energy: 0.6034376978939102
Energy: 0.5246874313047981
Energy: 0.545456295816614
Energy: 0.5582943575645107
Energy: 0.6034376978948685
Energy: 0.5458361986220385
Energy: 0.5471400488959705
Energy: 0.6138336839250955
Energy: 0.534044396399221
Energy: 0.5458361986213995
Energy: 0.5471400488966093
Energy: 0.6179649406342348
Energy: 0.5424045866933163
Energy: 0.529545253638798
Energy: 0.6407653822114158
Energy: 0.5208649193504568
Energy: 0.5424045866949133
Energy: 0.529545253638798
Energy: 0.6407653822168458
Energy: 0.5424514846813978
Energy: 0.5354459816832322
Energy: 0.6023161377083531
Energy: 0.5387167293295442
Energy: 0.5424514846817173
Energy: 0.5354459816841903
Energy: 0.6023161377077287
Energy: 0.5652897762923534
Energy: 0.5507526719975947
Energy: 0.6104278373150815
Energy: 0.5313217700477051
Energy: 0.5652897762952281
Energy: 0.5507526719991919
Energy: 0.6104278373154011
Energy: 0.5648786969167857
Energy: 0.5288637276300425
Energy: 0.6110482528252792
Energy: 0.5254370818579612
Energy: 0.5648786969171052
Energy: 0.5288637276290842
Energy: 0.6037229128621968
Energy: 0.5491959707466229
Energy: 0.527168097746708
Energy: 0.5946213713194787
Energy: 0.5422426022917596
Energy: 0.5491959707459839
Energy: 0.5271680977470274
Energy: 0.594621371316604
Energy: 0.5352433507531353
Energy: 0.541622036896846
Energy: 0.620125982426899
Energy: 0.5412867904735448
Energy: 0.535243350754413
Energy: 0.5416220368990818
Energy: 0.6201259824281766
Energy: 0.5371707794786279
Energy: 0.5296119299049182
Energy: 0.6108031139067437
Energy: 0.5196021332314323
Energy: 0.5371707794786279
Energy: 0.5296119299045988
Energy: 0.6108031139077018
Energy: 0.5449106081024184
Energy: 0.5289690297688453
Energy: 0.61786590942256
Energy: 0.5387335251353207
Energy: 0.5449106081014601
Energy: 0.5289690297704425
Energy: 0.6088691322679552
Energy: 0.5424542101889771
Energy: 0.5247333959595983
Energy: 0.5835460533543387
Energy: 0.5369148902010414
Energy: 0.5424542101899352
Energy: 0.5247333959573623
Energy: 0.583546053354658
Energy: 0.5457779347150807
Energy: 0.5695539981021502
Energy: 0.5955897045673212
Energy: 0.5469718406256354
Energy: 0.5457779347163584
Energy: 0.5695539981040668
Energy: 0.5955897045663628
Energy: 0.5402520017189629
Energy: 0.5375078152772453
Energy: 0.6406686716881854
Energy: 0.5429066228975743
Energy: 0.5402520017189629
Energy: 0.5375078152759676
Energy: 0.6406686716894631
Energy: 0.5381084231254274
Energy: 0.5236953773310138
Energy: 0.6275864299273373
Energy: 0.538484946368719
Energy: 0.5381084231238302
Energy: 0.523695377328778
Energy: 0.6275864299263789
Energy: 0.5268900769728091
Energy: 0.5482656942708799
Energy: 0.6201796639691586
Energy: 0.5496619715694979
Energy: 0.5268900769708926
Energy: 0.5482656942718381
Energy: 0.6201796639688393

minimum gb energy = 0.5196021332314323 eV
minimum distance =  2.47909203397939 Angstroms
sigma value = 39


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

Energy: 0.5316444244278973
Energy: 0.5316521601508085
Energy: 0.5965663381915275
Energy: 0.5316389620565569
Energy: 0.5316444244237506
Energy: 0.531652160159856
Energy: 0.5709608397188578
Energy: 0.5244498301499987
Energy: 0.5366344966373104
Energy: 0.5354849388883106
Energy: 0.5366624519812425
Energy: 0.5244498301507526
Energy: 0.5366344966279204
Energy: 0.535484938894342
Energy: 0.5315327472717531
Energy: 0.5158348178646391
Energy: 0.5520915120028128
Energy: 0.5192443105954623
Energy: 0.5315327472660986
Energy: 0.5158348178627542
Energy: 0.5520915120020589
Energy: 0.5423014427397643
Energy: 0.5367483717776607
Energy: 0.5353938963797102
Energy: 0.5540305663358254
Energy: 0.542301442744288
Energy: 0.5367483717833151
Energy: 0.535393896382726
Energy: 0.5557531529286869
Energy: 0.517877947809262
Energy: 0.5187381088577391
Energy: 0.5194474103384784
Energy: 0.5557531529237864
Energy: 0.5178779478054922
Energy: 0.5187381088513304
Energy: 0.5423867649554811
Energy: 0.5545852343885831
Energy: 0.5942721424048935
Energy: 0.5523905513707913
Energy: 0.5423867649494495
Energy: 0.5545852343799469
Energy: 0.5942721424124329
Energy: 0.5849514695615172
Energy: 0.518312323055481
Energy: 0.5441001457285922
Energy: 0.5185648608096248
Energy: 0.5849514695558626
Energy: 0.5183123230558581
Energy: 0.5389955690436551
Energy: 0.5418831270995639
Energy: 0.542169048214495
Energy: 0.573153128091171
Energy: 0.5421678106203294
Energy: 0.541883127098056
Energy: 0.5421690482126101
Energy: 0.5731531280953177
Energy: 0.5849300723507008
Energy: 0.5177251815981124
Energy: 0.5499746810416961
Energy: 0.5183012491304431
Energy: 0.5849300723669106
Energy: 0.5177251816041439
Energy: 0.5499746810409422
Energy: 0.5423580381794533
Energy: 0.5523014001674543
Energy: 0.5943092173329269
Energy: 0.5545768896839898
Energy: 0.542358038183977
Energy: 0.5523014001651926
Energy: 0.5943092173321728
Energy: 0.5557854821733779
Energy: 0.5195237066268898
Energy: 0.5507670097998417
Energy: 0.517772897887701
Energy: 0.5557854821745087
Energy: 0.5195237066265129
Energy: 0.5507670097979569
Energy: 0.5423024601094858
Energy: 0.5540118225352836
Energy: 0.5353765476996661
Energy: 0.5367422770668823
Energy: 0.5423024601128786
Energy: 0.5540118225345639
Energy: 0.535376547701174
Energy: 0.531589331642814
Energy: 0.5193051173261054
Energy: 0.5326905349878448
Energy: 0.5157819109648683
Energy: 0.5315893316465836
Energy: 0.519305117331006
Energy: 0.5326905349901068
Energy: 0.5244690273091209
Energy: 0.5366534710297215
Energy: 0.5354593654542569
Energy: 0.5366257800876244
Energy: 0.5244690273053513
Energy: 0.5366534710195432
Energy: 0.5354593654576496
Energy: 0.5316444244275204
Energy: 0.5316521601489237
Energy: 0.5709608397075486
Energy: 0.5316389620569338
Energy: 0.5316444244260123
Energy: 0.5316521601575941
Energy: 0.5709608397184809
Energy: 0.5244498301492447
Energy: 0.5366344966380644
Energy: 0.5354849388879336
Energy: 0.5366624519808657
Energy: 0.5244498301515066
Energy: 0.5366344966267894
Energy: 0.5354849388932111
Energy: 0.5315327472725071
Energy: 0.5158348178646391
Energy: 0.552091512000551
Energy: 0.5192443105950852
Energy: 0.5315327472664756
Energy: 0.5158348178631312
Energy: 0.5520915120016819
Energy: 0.5423014427382564
Energy: 0.5367483717769067
Energy: 0.5353938963815952
Energy: 0.5540305663369562
Energy: 0.5423014427420262
Energy: 0.5367483717844461
Energy: 0.535393896383103
Energy: 0.555753152929441
Energy: 0.5178779478088851
Energy: 0.51873810885887
Energy: 0.5194474103369706
Energy: 0.5557531529241633
Energy: 0.5178779478043614
Energy: 0.5187381088513304
Energy: 0.5423867649573659
Energy: 0.5545852343882061
Energy: 0.5942721424064014
Energy: 0.5523905513715451
Energy: 0.5423867649490727
Energy: 0.5545852343803239
Energy: 0.5942721424135639
Energy: 0.5849514695607632
Energy: 0.518312323056989
Energy: 0.5389955690413932
Energy: 0.5185648608111327
Energy: 0.5849514695547317
Energy: 0.518312323056989
Energy: 0.5389955690436551
Energy: 0.5418831270988099
Energy: 0.5421690482141179
Energy: 0.57315312809004
Energy: 0.5421678106199525
Energy: 0.541883127098056
Energy: 0.5421690482141179
Energy: 0.5731531280953177
Energy: 0.5849300723499469
Energy: 0.5177251815992433
Energy: 0.5499746810401881
Energy: 0.5183012491300661
Energy: 0.5849300723669106
Energy: 0.5177251816056518
Energy: 0.5499746810405652
Energy: 0.5423580381794533
Energy: 0.5523014001682084
Energy: 0.5943092173329269
Energy: 0.5545768896832358
Energy: 0.5423580381836
Energy: 0.5523014001670774
Energy: 0.594309217331796
Energy: 0.555785482171493
Energy: 0.519523706625382
Energy: 0.6234562974702429
Energy: 0.517772897888078
Energy: 0.5557854821730008
Energy: 0.519523706623874
Energy: 0.5507670097998417
Energy: 0.5423024601109938
Energy: 0.5540118225364146
Energy: 0.5353765476989121
Energy: 0.5367422770661284
Energy: 0.5423024601125017
Energy: 0.5540118225338101
Energy: 0.5353765476996661
Energy: 0.531589331640929
Energy: 0.5193051173253516
Energy: 0.5326905349897297
Energy: 0.5157819109648683
Energy: 0.5315893316450758
Energy: 0.5193051173294982
Energy: 0.5326905349919916
Energy: 0.5244690273106289
Energy: 0.5366534710278367
Energy: 0.5354593654535029
Energy: 0.5366257800868705
Energy: 0.5244690273053513
Energy: 0.5366534710195432
Energy: 0.5354593654561417
Energy: 0.5316444244282742
Energy: 0.5316521601508085
Energy: 0.5709608397083026
Energy: 0.5316389620561799
Energy: 0.5316444244241275
Energy: 0.531652160159856
Energy: 0.5709608397196116
Energy: 0.5244498301499987
Energy: 0.5366344966384413
Energy: 0.5354849388883106
Energy: 0.5366624519816195
Energy: 0.5244498301507526
Energy: 0.5366344966286742
Energy: 0.5354849388939652

minimum gb energy = 0.5157819109648683 eV
minimum distance =  2.58251993667778 Angstroms
sigma value = 21


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

Energy: 0.5265377520105088
Energy: 0.5816687790642798
Energy: 0.5483562425998219
Energy: 0.5816765945951377
Energy: 0.5265377520091359
Energy: 0.5816687790638223
Energy: 0.555510440037163
Energy: 0.5242543642844305
Energy: 0.5118191618629281
Energy: 0.5749355951054441
Energy: 0.5046475582305482
Energy: 0.5242543642798542
Energy: 0.5118191618615759
Energy: 0.5749355951077323
Energy: 0.5267078367393646
Energy: 0.5195084018836437
Energy: 0.5838010828659406
Energy: 0.5465442032038497
Energy: 0.5267078367379918
Energy: 0.5195084018822708
Energy: 0.5838010828654829
Energy: 0.5355931886990145
Energy: 0.5123478321037985
Energy: 0.6056293348714596
Energy: 0.5083494256136191
Energy: 0.535593188697184
Energy: 0.5123478321047138
Energy: 0.6056293348723748
Energy: 0.5061222862709018
Energy: 0.5445666505076349
Energy: 0.5234406554605981
Energy: 0.5324643495107992
Energy: 0.5061222862681561
Energy: 0.5445666505117536
Energy: 0.5234406554587676
Energy: 0.5356424317046493
Energy: 0.5114501993396952
Energy: 0.5417523608105776
Energy: 0.5291234133196628
Energy: 0.5356424317019036
Energy: 0.5114501993392375
Energy: 0.5417523608160693
Energy: 0.5500157871644744
Energy: 0.544690996448443
Energy: 0.5702778535435695
Energy: 0.5326041622560664
Energy: 0.5500157871585253
Energy: 0.5446909964420571
Energy: 0.5601488850253222
Energy: 0.5298313708425302
Energy: 0.510515731353811
Energy: 0.535882708646437
Energy: 0.5242634083289639
Energy: 0.5298313708466487
Energy: 0.5105157313519806
Energy: 0.5358827086468947
Energy: 0.5499243167132376
Energy: 0.5258613520169942
Energy: 0.5408053377338614
Energy: 0.5343278656095832
Energy: 0.5499243167146105
Energy: 0.5258613520147061
Energy: 0.5408053377329461
Energy: 0.5310820201036843
Energy: 0.511887010533974
Energy: 0.5421831599066691
Energy: 0.5120712732692106
Energy: 0.5310820200968199
Energy: 0.511887010533974
Energy: 0.5421831599066691
Energy: 0.5488045343983019
Energy: 0.5415164689690624
Energy: 0.5404357782589279
Energy: 0.5217571364301481
Energy: 0.5488045343992172
Energy: 0.5415164689658589
Energy: 0.5404357782598432
Energy: 0.48725391184038797
Energy: 0.5253540924505439
Energy: 0.5273369210963973
Energy: 0.5062632680112396
Energy: 0.48725391183947264
Energy: 0.5253540924510016
Energy: 0.5273369210977702
Energy: 0.5484993711885343
Energy: 0.5241194008021488
Energy: 0.537253122559649
Energy: 0.5120905866593072
Energy: 0.5484993711825852
Energy: 0.5241194008062675
Energy: 0.5372531225564455
Energy: 0.48731408961503264
Energy: 0.5260826758545419
Energy: 0.5389443463425011
Energy: 0.5637993571678838
Energy: 0.48731408961457506
Energy: 0.5260826758536267
Energy: 0.5389443463383824
Energy: 0.5518591272318046
Energy: 0.4976015925694204
Energy: 0.5419983995086063
Energy: 0.5092809251527226
Energy: 0.5518591272308894
Energy: 0.49760159256896275
Energy: 0.5419983995154708
Energy: 0.4826006953797056
Energy: 0.5566424377258312
Energy: 0.5374931867089995
Energy: 0.5486733757983923
Energy: 0.4826006953810785
Energy: 0.5566424377267465
Energy: 0.5374931867099146
Energy: 0.5503095186429501
Energy: 0.5092674323319153
Energy: 0.5741962688977028
Energy: 0.5091949586972918
Energy: 0.550309518644323
Energy: 0.5092674323364915
Energy: 0.5741962688981604
Energy: 0.4827432006085973
Energy: 0.5154095388633415
Energy: 0.5235349820340873
Energy: 0.5345856526163185
Energy: 0.482743200612716
Energy: 0.5154095388605957
Energy: 0.5235349820336298
Energy: 0.5268376746036719
Energy: 0.50933825851496
Energy: 0.5286775421835301
Energy: 0.508978164604624
Energy: 0.5268376746036719
Energy: 0.50933825851496
Energy: 0.5286775421821572
Energy: 0.48250588226158614
Energy: 0.5270570014493677
Energy: 0.525187062182247
Energy: 0.5270645141102399
Energy: 0.4825058822620438
Energy: 0.5270570014502829
Energy: 0.5251870621827046
Energy: 0.5268400414540658
Energy: 0.5088732769282903
Energy: 0.5282482820435388
Energy: 0.5092355421764363
Energy: 0.5268400414545233
Energy: 0.5088732769264598
Energy: 0.5282482820412506
Energy: 0.48265155721773234
Energy: 0.534586997669954
Energy: 0.523612600230429
Energy: 0.5153839861831135
Energy: 0.48265155721635944
Energy: 0.5345869976667714
Energy: 0.5236126002313443
Energy: 0.5504214086007467
Energy: 0.5092152711241047
Energy: 0.5745385001063466
Energy: 0.5089378580704743
Energy: 0.5504214086007467
Energy: 0.5092152711236471
Energy: 0.5745385001072618
Energy: 0.4825619964376904
Energy: 0.5486921697891247
Energy: 0.5373881748878173
Energy: 0.5566523443380855
Energy: 0.4825619964404361
Energy: 0.5486921697891247
Energy: 0.5373881748878173
Energy: 0.5517573188651185
Energy: 0.5092891794985787
Energy: 0.5336718678980856
Energy: 0.49347846654521715
Energy: 0.5517573188637456
Energy: 0.5092891794999514
Energy: 0.5336718678980856

minimum gb energy = 0.48250588226158614 eV
minimum distance =  2.57914908754934 Angstroms
sigma value = 113


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

Energy: 0.5322692385084761
Energy: 0.5645642811683871
Energy: 0.6115816132995954
Energy: 0.5645715007834275
Energy: 0.5322692385120517
Energy: 0.5645642811681085
Energy: 0.6115816132934657
Energy: 0.5584611609463338
Energy: 0.5449426134426297
Energy: 0.6159818781676236
Energy: 0.5447963504400951
Energy: 0.558461160942526
Energy: 0.544942613438822
Energy: 0.6159818781732423
Energy: 0.5330243999837639
Energy: 0.5428401550147333
Energy: 0.6209812786868211
Energy: 0.5461560558420725
Energy: 0.5330243999957446
Energy: 0.5428401550210951
Energy: 0.6209812786947618
Energy: 0.5082279690050843
Energy: 0.5463535439417027
Energy: 0.6220301641012058
Energy: 0.5541594691069853
Energy: 0.5082279690071274
Energy: 0.5463535439373376
Energy: 0.6220301640909898
Energy: 0.5532384897538891
Energy: 0.5106992873501539
Energy: 0.5941147224812882
Energy: 0.5180180555372813
Energy: 0.5532384897700027
Energy: 0.5106992873424919
Energy: 0.5941147224802666
Energy: 0.5080085509638425
Energy: 0.527949974854914
Energy: 0.5834492962674932
Energy: 0.5148918656723478
Energy: 0.5080085509712723
Energy: 0.5279499748600219
Energy: 0.5834492962751553
Energy: 0.5237064668043678
Energy: 0.5105289200569062
Energy: 0.5954751145572079
Energy: 0.5282103300367742
Energy: 0.5237064668078971
Energy: 0.5105289200530984
Energy: 0.5954751145423947
Energy: 0.5076163071549831
Energy: 0.5193132315064014
Energy: 0.6075527009788019
Energy: 0.5181144259748759
Energy: 0.5076163071620878
Energy: 0.5193132315155494
Energy: 0.6075527009690966
Energy: 0.5237950585809191
Energy: 0.5148075960386881
Energy: 0.5684974134674989
Energy: 0.5102380471434131
Energy: 0.5237950585785973
Energy: 0.5148075960364127
Energy: 0.5684974134583045
Energy: 0.501655210722911
Energy: 0.529769752407505
Energy: 0.6355303581051306
Energy: 0.5256651431459597
Energy: 0.5016552107254649
Energy: 0.5297697524281694
Energy: 0.6355303581155788
Energy: 0.5237874531143397
Energy: 0.5167720123556991
Energy: 0.5820157938967188
Energy: 0.5113683575486647
Energy: 0.5237874531092316
Energy: 0.51677201234344
Energy: 0.5820157938921215
Energy: 0.5007075608657967
Energy: 0.519427839450725
Energy: 0.618941521547022
Energy: 0.5275164457140697
Energy: 0.5007075608727158
Energy: 0.5194278394612196
Energy: 0.6189415215462789
Energy: 0.5413431382372782
Energy: 0.5384825717980443
Energy: 0.6159143836758784
Energy: 0.5225416425873134
Energy: 0.54134313823087
Energy: 0.5384825718074708
Energy: 0.615914383667752
Energy: 0.5404219823111732
Energy: 0.5596999744063093
Energy: 0.6184248082411952
Energy: 0.5552124632465539
Energy: 0.5404219822789925
Energy: 0.5596999743948394
Energy: 0.6184248082411952
Energy: 0.5411177945677101
Energy: 0.5421773373135964
Energy: 0.6135226809956948
Energy: 0.5526106276227609
Energy: 0.5411177945528968
Energy: 0.5421773373212585
Energy: 0.6135226809816708
Energy: 0.5405085901606209
Energy: 0.5166025018819196
Energy: 0.6172749554104299
Energy: 0.5299476467774308
Energy: 0.5405085901698155
Energy: 0.5166025018842414
Energy: 0.617274955404811
Energy: 0.5573814228563524
Energy: 0.5385257224019153
Energy: 0.6114995834890943
Energy: 0.5231723244473193
Energy: 0.5573814228619712
Energy: 0.5385257223995934
Energy: 0.6114995834735379
Energy: 0.5009794597648909
Energy: 0.5343885679722997
Energy: 0.5979597961183237
Energy: 0.5258208405704784
Energy: 0.5009794597475236
Energy: 0.5343885679885989
Energy: 0.5979597961369912
Energy: 0.5573765964755728
Energy: 0.5500715952315417
Energy: 0.5780512293635443
Energy: 0.5319152599662214
Energy: 0.557376596467632
Energy: 0.5500715952284769
Energy: 0.5930761707201129
Energy: 0.5254456883145358
Energy: 0.5531465043768126
Energy: 0.5773589501052601
Energy: 0.5281959748018239
Energy: 0.5254456883104494
Energy: 0.5531465043752801
Energy: 0.5773589500956013
Energy: 0.528756490126577
Energy: 0.5234959953314671
Energy: 0.6009566323331582
Energy: 0.5482188692990912
Energy: 0.5287564901224906
Energy: 0.5234959953248266
Energy: 0.6009566323306043
Energy: 0.5252201996800425
Energy: 0.5347958115160041
Energy: 0.5779531641005917
Energy: 0.5238701687370582
Energy: 0.5252201996749345
Energy: 0.5347958115195796
Energy: 0.5779531641041673
Energy: 0.528399156786033
Energy: 0.5218269406328035
Energy: 0.5576603988478979
Energy: 0.553407627936515
Energy: 0.5283991567906301
Energy: 0.5218269406211016
Energy: 0.5576603988389355
Energy: 0.5242525594376866
Energy: 0.5255042775750137
Energy: 0.5776963430442339
Energy: 0.5175851892799993
Energy: 0.5242525594493885
Energy: 0.5255042775801216
Energy: 0.5776963430358288
Energy: 0.5289114865130888
Energy: 0.5418583890661923
Energy: 0.5865865054559894
Energy: 0.5768267907976624
Energy: 0.5289114865212619
Energy: 0.5418583890495681
Energy: 0.5865865054419657
Energy: 0.5196728305122413
Energy: 0.5572023223827056
Energy: 0.6546572426870145
Energy: 0.5553295027861798
Energy: 0.5196728305112198
Energy: 0.5572023223850274
Energy: 0.6546572426711798
Energy: 0.5892636730800244
Energy: 0.5404808755256959
Energy: 0.606528084159668
Energy: 0.5911945877012706
Energy: 0.5892636730856432
Energy: 0.5404808755157584
Energy: 0.6065280841527954
Energy: 0.5200185714995182
Energy: 0.5909826873138274
Energy: 0.6627147548653185
Energy: 0.5838786699714087
Energy: 0.5200185714742102
Energy: 0.5909826873258082
Energy: 0.6627147548709373
Energy: 0.5840108256717654
Energy: 0.5407384509982512
Energy: 0.5912530042480434
Energy: 0.5898878300588957
Energy: 0.5840108256814707
Energy: 0.5407384509888247
Energy: 0.5912530042600241
Energy: 0.5203078427423209
Energy: 0.5530845183142807
Energy: 0.5888706703792167
Energy: 0.5545442399145576
Energy: 0.5203078427494722
Energy: 0.5530845183122376
Energy: 0.5888706703789381
Energy: 0.5209316304132221
Energy: 0.5404183275125486
Energy: 0.637199179345048
Energy: 0.5691305633357843
Energy: 0.5209316304104359
Energy: 0.5404183275161243
Energy: 0.6371991793368752
Energy: 0.524028712802771
Energy: 0.520091623277827
Energy: 0.5660951295624249
Energy: 0.524182436251329
Energy: 0.5240287128157733
Energy: 0.5200916232717437
Energy: 0.5660951295621464
Energy: 0.520862937333157
Energy: 0.5217098384517104
Energy: 0.6293211713879662
Energy: 0.5478380676264955
Energy: 0.5208629373454162
Energy: 0.5217098384479025
Energy: 0.629321171379329
Energy: 0.5173062117267427
Energy: 0.5201270788465213
Energy: 0.5737020609144606
Energy: 0.5207738319815604
Energy: 0.5173062117392807
Energy: 0.5201270788385807
Energy: 0.5737020609050341
Energy: 0.5142071082716797
Energy: 0.512594168691722
Energy: 0.6295468539704855
Energy: 0.5561439694931444
Energy: 0.5142071082675933
Energy: 0.5125941687021703
Energy: 0.6295468539592478
Energy: 0.5173169197642381
Energy: 0.5165023645351725
Energy: 0.5743927068108957
Energy: 0.5126057169002164
Energy: 0.5173169197719001
Energy: 0.5165023645349404
Energy: 0.57439270680732
Energy: 0.5140184750654729
Energy: 0.517533325574149
Energy: 0.5897472615590582
Energy: 0.5682769673450653
Energy: 0.5140184750629188
Energy: 0.5175333255882194
Energy: 0.5897472615537181
Energy: 0.5212639815215941
Energy: 0.5091883461443802
Energy: 0.5851991450338135
Energy: 0.5124081399318822
Energy: 0.5212639815307885
Energy: 0.5091883461339319
Energy: 0.585199145022576
Energy: 0.5138999383763103
Energy: 0.5378147333456211
Energy: 0.6110564971006194
Energy: 0.5619231582311479
Energy: 0.5138999383755208
Energy: 0.5378147333430672
Energy: 0.611056497092168
Energy: 0.5125718401381969
Energy: 0.5386648332989242
Energy: 0.5844710885565707
Energy: 0.5395404730945808
Energy: 0.5125718401262161
Energy: 0.5386648333055647
Energy: 0.5844710885568031
Energy: 0.569734947210837
Energy: 0.5402147290734203
Energy: 0.6083317549444838
Energy: 0.5618963177392563
Energy: 0.5697349472098153
Energy: 0.540214729097428
Energy: 0.608331754941419
Energy: 0.512558901929773
Energy: 0.5471419338608616
Energy: 0.608162948820341
Energy: 0.5529061426468243
Energy: 0.5125589019259189
Energy: 0.5471419338856588
Energy: 0.6081629488182978
Energy: 0.5389091657919581
Energy: 0.5403608527128227
Energy: 0.5958952795355806
Energy: 0.5601478821256703
Energy: 0.5389091657921903
Energy: 0.5403608527085041
Energy: 0.5958952795327945
Energy: 0.5230191854149657
Energy: 0.5388334513639054
Energy: 0.6010838452713355
Energy: 0.5218402374747574
Energy: 0.5230191854154767
Energy: 0.5388334513705457
Energy: 0.6010838452562437
Energy: 0.5147703242857836
Energy: 0.540751546854147
Energy: 0.5941878174755441
Energy: 0.5622323835464719
Energy: 0.5147703242914025
Energy: 0.5407515468756007
Energy: 0.5941878174811629

minimum gb energy = 0.5007075608657967 eV
minimum distance =  2.49976760492305 Angstroms
sigma value = 365


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

Energy: 0.5182165861765887
Energy: 0.5142112928261642
Energy: 0.6632588036286188
Energy: 0.5142112928250124
Energy: 0.5182165861783162
Energy: 0.5142112928250124
Energy: 0.5576558079592694
Energy: 0.5182165861754371
Energy: 0.5142112928221333
Energy: 0.48682177228934265
Energy: 0.5142112928255883
Energy: 0.5182165861806195
Energy: 0.5142112928232849
Energy: 0.5576558079615728
Energy: 0.5182165861777404
Energy: 0.5142112928255883
Energy: 0.582298082349806
Energy: 0.5142112928238608
Energy: 0.5182165861771646
Energy: 0.5142112928273159
Energy: 0.5576558079581178
Energy: 0.5182165861811954
Energy: 0.5142112928250124
Energy: 0.5307480832324073
Energy: 0.5142112928238608
Energy: 0.5182165861725578
Energy: 0.5142112928244367
Energy: 0.5576558079586936
Energy: 0.5182165861794679
Energy: 0.5142112928238608
Energy: 0.48682163995334576
Energy: 0.5142112928261642
Energy: 0.5182165861777404
Energy: 0.5142112928232849
Energy: 0.557655807964452
Energy: 0.5182165861760129
Energy: 0.5142112928250124
Energy: 0.5847991464782395
Energy: 0.5142112928227092
Energy: 0.5182165861800436
Energy: 0.5142112928261642
Energy: 0.557655807964452
Energy: 0.5182165861765887
Energy: 0.5142112928261642
Energy: 0.5576558079667553
Energy: 0.5142112928244367
Energy: 0.5182165861794679
Energy: 0.5142112928250124
Energy: 0.5576558079621486
Energy: 0.5182165861811954
Energy: 0.5142112928221333
Energy: 0.4868215886813297
Energy: 0.5142112928250124
Energy: 0.5182165861777404
Energy: 0.5142112928232849
Energy: 0.5576558079667553
Energy: 0.5182165861771646
Energy: 0.5142112928255883
Energy: 0.581833674507234
Energy: 0.5142112928238608
Energy: 0.5182165861771646
Energy: 0.51421129282674
Energy: 0.5576558079638761
Energy: 0.5182165861737095
Energy: 0.5142112928250124
Energy: 0.584642066620663
Energy: 0.5142112928238608
Energy: 0.5182165861817711
Energy: 0.5142112928238608
Energy: 0.5576558079633004
Energy: 0.5182165861794679
Energy: 0.5142112928238608
Energy: 0.48682145320323783
Energy: 0.51421129282674
Energy: 0.5182165861783162
Energy: 0.5142112928238608
Energy: 0.5576558079633004
Energy: 0.5182165861760129
Energy: 0.5142112928244367
Energy: 0.5845203724660772
Energy: 0.5142112928232849
Energy: 0.5182165861765887
Energy: 0.5142112928255883
Energy: 0.5576558079604211
Energy: 0.5182165861754371
Energy: 0.5142112928261642
Energy: 0.5576558079679069
Energy: 0.5142112928244367
Energy: 0.5182165861748611
Energy: 0.5142112928250124
Energy: 0.5576558079656037
Energy: 0.5182165861748611
Energy: 0.5142112928221333
Energy: 0.5576558079673312
Energy: 0.5142112928255883
Energy: 0.5182165861748611
Energy: 0.5142112928227092
Energy: 0.557655807964452
Energy: 0.5182165861765887
Energy: 0.5142112928250124
Energy: 0.4826259529245552
Energy: 0.5142112928238608
Energy: 0.5182165861783162
Energy: 0.5142112928273159
Energy: 0.5576558079615728
Energy: 0.5182165861731336
Energy: 0.5142112928250124
Energy: 0.5576558079673312
Energy: 0.5142112928238608
Energy: 0.5182165861765887
Energy: 0.5142112928238608
Energy: 0.5845203724626223
Energy: 0.5182165861794679
Energy: 0.5142112928238608
Energy: 0.5576558079684828
Energy: 0.51421129282674
Energy: 0.5182165861806195
Energy: 0.5142112928232849
Energy: 0.557655807964452
Energy: 0.518216586178892
Energy: 0.5142112928244367
Energy: 0.5576558079650279
Energy: 0.5142112928238608
Energy: 0.5182165861771646
Energy: 0.5142112928255883
Energy: 0.5845203724643497
Energy: 0.5182165861783162
Energy: 0.5142112928261642
Energy: 0.5576558079656037
Energy: 0.5142112928250124
Energy: 0.5182165861765887
Energy: 0.5142112928250124
Energy: 0.5576558079638761
Energy: 0.5182165861806195
Energy: 0.5142112928221333
Energy: 0.5576558079650279
Energy: 0.5142112928255883
Energy: 0.5182165861794679
Energy: 0.5142112928227092
Energy: 0.5576558079673312

minimum gb energy = 0.4826259529245552 eV
minimum distance =  2.64674246372165 Angstroms
sigma value = 23