Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000
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=4.0469995588064185
cohesive_energy=3.3572640154045166
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: 0.012688120962813427
Energy: 0.11458988862223171
Energy: 0.4263967352288605
Energy: 0.11457272490285886
Energy: 0.012688120962813427
Energy: 0.11458988862223171
Energy: 0.04483924610859029
Energy: 0.02889802914354132
Energy: 0.013281127279356273
Energy: 0.1021280331984314
Energy: 0.013247617360733203
Energy: 0.02889802914374563
Energy: 0.013281127279151962
Energy: 0.1021280331984314
Energy: 0.012688120962609116
Energy: 0.11458988862223171
Energy: 0.42639673522606825
Energy: 0.11457272490226864
Energy: 0.012688120962609116
Energy: 0.11458988862184578
Energy: 0.04483924610859029
Energy: 0.028898029143337008
Energy: 0.013281127279151962
Energy: 0.1021280331984314
Energy: 0.013247617360937514
Energy: 0.02889802914394994
Energy: 0.013281127278947652
Energy: 0.1021280331984314
Energy: 0.012688120962813427
Energy: 0.11458988862243602
Energy: 0.029174719801439767
Energy: 0.11457272490226864
Energy: 0.012688120962813427
Energy: 0.11458988862223171
Energy: 0.04483924610838598
Energy: 0.02889802914354132
Energy: 0.013281127279356273
Energy: 0.1021280331984314
Energy: 0.013247617360937514
Energy: 0.02889802914354132
Energy: 0.013281127279151962
Energy: 0.10212803319863573

minimum gb energy = 0.012688120962609116 eV
minimum distance =  2.83376101481586 Angstroms
sigma value = 5


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

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Energy: 0.4791379621528448
Energy: 0.47809272867521496
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Energy: 0.5162680040413972
Energy: 0.5054550159864476
Energy: 0.43858739973528965
Energy: 0.4740932374815259
Energy: 0.4316965871238532
Energy: 0.5054550159888882
Energy: 0.43858739974261146
Energy: 0.4740932374815259
Energy: 0.4385939282306629
Energy: 0.4776252691401731
Energy: 0.4822287359400439
Energy: 0.4608289422282954
Energy: 0.4385939282354997
Energy: 0.4776252691401731
Energy: 0.4822287359376033
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Energy: 0.5192193196279353
Energy: 0.4335058532701038
Energy: 0.45555327359701236
Energy: 0.46357720317216344
Energy: 0.5192193196303759

minimum gb energy = 0.4146068553829403 eV
minimum distance =  2.4346820706854 Angstroms
sigma value = 401


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

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Energy: 0.3981292912498961
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Energy: 0.45811563936212707
Energy: 0.4478663890589323
Energy: 0.4436595792966322
Energy: 0.3895156284435214
Energy: 0.44199118456598424
Energy: 0.4478663890589323
Energy: 0.4436595792958263
Energy: 0.3895156284435214
Energy: 0.4448557106316272
Energy: 0.46679704903253116
Energy: 0.3863693810980898
Energy: 0.44766219354237113
Energy: 0.4448557106327354
Energy: 0.46679704903253116
Energy: 0.38636938110000385
Energy: 0.45835357353743933
Energy: 0.4691411133940798
Energy: 0.5035881585929503
Energy: 0.4746752301514934
Energy: 0.4583535735394037
Energy: 0.46914111339241765
Energy: 0.5035881585923961
Energy: 0.4358607269008729
Energy: 0.46375278893146576
Energy: 0.5057678932341764
Energy: 0.47584107108391793
Energy: 0.4358607269011751
Energy: 0.46375278893116356
Energy: 0.5057678932311037
Energy: 0.4377687776672369
Energy: 0.47911942671101976
Energy: 0.4718010443855829
Energy: 0.4871309535700825
Energy: 0.437768777670259
Energy: 0.4791194267093576
Energy: 0.4718010443836185
Energy: 0.46797932179960877
Energy: 0.47933691364883396
Energy: 0.4626971955060651
Energy: 0.47283934629695507
Energy: 0.46797932179819846
Energy: 0.4793369136490858
Energy: 0.46269719550636734
Energy: 0.4827487639587263
Energy: 0.4772561029597589
Energy: 0.48757023997934984
Energy: 0.46178992730885154
Energy: 0.4827487639609425
Energy: 0.477256102960313
Energy: 0.4875702399787958
Energy: 0.48882816828440023
Energy: 0.4433101795308569
Energy: 0.3981292912498961
Energy: 0.44631377985116616
Energy: 0.4888281682890846
Energy: 0.4433101795308569
Energy: 0.3981292912501479
Energy: 0.47586648351008537
Energy: 0.4684750913615635
Energy: 0.44321823095226726
Energy: 0.47758691190791014
Energy: 0.47586648351230165
Energy: 0.4684750913621175
Energy: 0.44321823072298516

minimum gb energy = 0.3863693810980898 eV
minimum distance =  2.44366591006526 Angstroms
sigma value = 311


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

Energy: 0.4616902578980636
Energy: 0.43236445962789444
Energy: 0.4888425871780862
Energy: 0.4365662081411219
Energy: 0.4616902578990233
Energy: 0.4323644596275746
Energy: 0.4715400947999679
Energy: 0.48997979977142714
Energy: 0.4472328492669171
Energy: 0.4476166769354809
Energy: 0.4174551891553979
Energy: 0.48997979977142714
Energy: 0.447232849267237
Energy: 0.4476166769364405
Energy: 0.45554681390163787
Energy: 0.4562147766479839
Energy: 0.45240791962165566
Energy: 0.44128307893977375
Energy: 0.4555468139022777
Energy: 0.456214776647664
Energy: 0.4505583629155899
Energy: 0.45725626245937673
Energy: 0.4215423155569106
Energy: 0.4723647490627931
Energy: 0.4330621822740762
Energy: 0.45725626245937673
Energy: 0.4215423155569106
Energy: 0.47236474906375275
Energy: 0.47895952408214043
Energy: 0.43627963914664714
Energy: 0.5341461436019671
Energy: 0.4267522558713026
Energy: 0.4789595240824603
Energy: 0.43627963914664714
Energy: 0.5332622813965321
Energy: 0.4632743787781265
Energy: 0.44244486842120784
Energy: 0.4653919757800083
Energy: 0.41132580091601684
Energy: 0.4632743787784464
Energy: 0.442444868420888
Energy: 0.4653919757796884
Energy: 0.4606933438244998
Energy: 0.4378071856463762
Energy: 0.4429148057968118
Energy: 0.42059576737730486
Energy: 0.46069334382481963
Energy: 0.4378071856463762
Energy: 0.414839291826057
Energy: 0.46204462162348603
Energy: 0.4908999574340776
Energy: 0.4791572379558421
Energy: 0.45192986215056385
Energy: 0.4620446216231662
Energy: 0.4908999574343975
Energy: 0.47915723795616194
Energy: 0.4658545219528537
Energy: 0.4353941557389592
Energy: 0.44131615981411293
Energy: 0.451889499480168
Energy: 0.46585452195381344
Energy: 0.4353941557389592
Energy: 0.4483630544795687
Energy: 0.44913977625899043
Energy: 0.46091892885412894
Energy: 0.44341557347471905
Energy: 0.44572454169216846
Energy: 0.4491397762583506
Energy: 0.460918928853809
Energy: 0.44341557347471905
Energy: 0.4555519870752383
Energy: 0.42714358211366643
Energy: 0.47138537005390263
Energy: 0.44126193262781466
Energy: 0.45555198707491845
Energy: 0.42714358211398623
Energy: 0.47138537005390263
Energy: 0.4525819432386624
Energy: 0.46929387726347743
Energy: 0.4365023512740754
Energy: 0.4436892436448455
Energy: 0.4525819432377027
Energy: 0.46929387726411725
Energy: 0.43650235127439535
Energy: 0.4542356025698203
Energy: 0.4332667333619621
Energy: 0.4756196198349841
Energy: 0.4140778042071967
Energy: 0.4542356025691805
Energy: 0.4332667333616422
Energy: 0.4756196198337046
Energy: 0.4389923914254748
Energy: 0.44633509880300615
Energy: 0.45306315575548817
Energy: 0.46509473823905606
Energy: 0.4389923914261145
Energy: 0.4463350988026863
Energy: 0.45306315575484835
Energy: 0.443832729765812
Energy: 0.4157213886068887
Energy: 0.47113893179645966
Energy: 0.4341159317049014
Energy: 0.44383272976613186
Energy: 0.4157213886068887
Energy: 0.47113893179645966
Energy: 0.4480241090291784
Energy: 0.43457866708940884
Energy: 0.41714580072545365
Energy: 0.4593818329834991
Energy: 0.44802410902885853
Energy: 0.4345786670897287
Energy: 0.41714580072577345
Energy: 0.46042344404901914
Energy: 0.45331510484416077
Energy: 0.453244321382777
Energy: 0.437029389589855
Energy: 0.46042344404901914
Energy: 0.4533151048438409
Energy: 0.4532443213837366
Energy: 0.4559337958187566
Energy: 0.4830270430714497
Energy: 0.4171482859322475
Energy: 0.45525624203103715
Energy: 0.45593379581907645
Energy: 0.48302704307081
Energy: 0.41714828593192754
Energy: 0.46310418487227145
Energy: 0.4783452584745688
Energy: 0.45698950514408826
Energy: 0.4365385856147671
Energy: 0.46310418487259136
Energy: 0.47834525847520865
Energy: 0.4752859329998829
Energy: 0.4620603850226581
Energy: 0.43465020121396253
Energy: 0.4473062094232467
Energy: 0.48847420309990813
Energy: 0.4620603850226581
Energy: 0.43465020121396253
Energy: 0.4473062094638436
Energy: 0.4530473315039773
Energy: 0.4205564701797927
Energy: 0.45593968955501957
Energy: 0.4286314342064986
Energy: 0.45304733150301757
Energy: 0.420556470179153
Energy: 0.45593968954702235
Energy: 0.463385239113599
Energy: 0.4179216268583379
Energy: 0.45101966295934776
Energy: 0.43486695881592374
Energy: 0.46338523911391893
Energy: 0.417921626858018
Energy: 0.4510196629596676
Energy: 0.4610233933294306
Energy: 0.4268108444789889
Energy: 0.5055882310710808
Energy: 0.47557234415882055
Energy: 0.4610233933287908
Energy: 0.4268108444789889
Energy: 0.4408302771604864
Energy: 0.4466580112839899
Energy: 0.43163772293136493
Energy: 0.4555222510986555
Energy: 0.4114342438310454
Energy: 0.44665801128430976
Energy: 0.43163772293264446
Energy: 0.4555222510986555
Energy: 0.44707656892671976
Energy: 0.43428933342035153
Energy: 0.43243924522185034
Energy: 0.4651529867062766
Energy: 0.44707656892544023
Energy: 0.43428933341939185
Energy: 0.40533330623193736
Energy: 0.4672328588623911
Energy: 0.412472123709447
Energy: 0.45176635860697845
Energy: 0.4273658828471135
Energy: 0.46723285886303084
Energy: 0.412472123709447
Energy: 0.4517663586063387
Energy: 0.4492986436799264
Energy: 0.4346305416369057
Energy: 0.4790634475335223
Energy: 0.43754622822462336
Energy: 0.4492986436818457
Energy: 0.43463054163658577
Energy: 0.4800864267183526
Energy: 0.46255594127170474
Energy: 0.4561660047384114
Energy: 0.45104393440747825
Energy: 0.41883403889885834
Energy: 0.4625559412710649
Energy: 0.4561660047387313
Energy: 0.4510439344071584
Energy: 0.4572646185626172
Energy: 0.45729505658194963
Energy: 0.4673918590008387
Energy: 0.43602349048452604
Energy: 0.45726461856293704
Energy: 0.4572950565813099
Energy: 0.4673918590008387
Energy: 0.45065502192471446
Energy: 0.4246429967959607
Energy: 0.4729349636199195
Energy: 0.43462201833361136
Energy: 0.45065502192471446
Energy: 0.4246429967962806
Energy: 0.4729349636154411
Energy: 0.4616243159733485
Energy: 0.44418866571365667
Energy: 0.48105700936671575
Energy: 0.4374990980184809
Energy: 0.4616243159746281
Energy: 0.4441886657133367
Energy: 0.4810570093641566
Energy: 0.4593428777665588
Energy: 0.4348660796502365
Energy: 0.4930760769749861
Energy: 0.4163860109479477
Energy: 0.4593428777662389
Energy: 0.4348660796502365
Energy: 0.4930760769753059
Energy: 0.4649762509887085
Energy: 0.4321129005458882
Energy: 0.42872221405867117
Energy: 0.4431066281556792
Energy: 0.4649762509880688
Energy: 0.43211290054556833
Energy: 0.42872221405803135
Energy: 0.46587130021740886
Energy: 0.5058263669802928
Energy: 0.49520958873070403
Energy: 0.44354620325587046
Energy: 0.46587130021740886
Energy: 0.505826366979973
Energy: 0.49520958873006427
Energy: 0.46338103416913395
Energy: 0.45976018393569146
Energy: 0.426165798567778
Energy: 0.45254595039741097
Energy: 0.46338103416945386
Energy: 0.4597601839360114
Energy: 0.4554362149116347
Energy: 0.44891821585484426
Energy: 0.4551492763335306
Energy: 0.42624964925807857
Energy: 0.4466746112989568
Energy: 0.44891821585580394
Energy: 0.4551492763338504
Energy: 0.4262496492590382

minimum gb energy = 0.40533330623193736 eV
minimum distance =  2.48596745475237 Angstroms
sigma value = 39


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

Energy: 0.3419184789984333
Energy: 0.412966097612056
Energy: 0.5076030021736548
Energy: 0.41296339423557
Energy: 0.34191847899994343
Energy: 0.41296609761092334
Energy: 0.510713451874683
Energy: 0.3379102952033807
Energy: 0.4559413938942446
Energy: 0.35906156902245984
Energy: 0.4584176613460375
Energy: 0.3379102952056459
Energy: 0.45594139389575467
Energy: 0.35906156902283737
Energy: 0.3560481147326897
Energy: 0.3102444847534877
Energy: 0.4151544830492426
Energy: 0.37783348006027423
Energy: 0.35604811473193465
Energy: 0.3102444847553753
Energy: 0.4468663749043921
Energy: 0.3622565225219354
Energy: 0.4756457314880493
Energy: 0.3889537413329829
Energy: 0.4109424196615202
Energy: 0.3622565225226904
Energy: 0.47564573149069206
Energy: 0.3889537413329829
Energy: 0.43000897872418214
Energy: 0.3767665505451599
Energy: 0.45813068723339984
Energy: 0.3778040071496
Energy: 0.43000897872531474
Energy: 0.3767665505455374
Energy: 0.46234134176403663
Energy: 0.3604384951842229
Energy: 0.40528771411448755
Energy: 0.5022615878205261
Energy: 0.40672983170024035
Energy: 0.36043849518535537
Energy: 0.4052877141137325
Energy: 0.5022615878190159
Energy: 0.5255419613743887
Energy: 0.3777396994996425
Energy: 0.4033384513454217
Energy: 0.377866829705027
Energy: 0.5255419613755212
Energy: 0.37773969950149583
Energy: 0.3931620914289787
Energy: 0.3605595476681275
Energy: 0.3352596370968005
Energy: 0.509966306057402
Energy: 0.33521934002672343
Energy: 0.36055954766774995
Energy: 0.33525963709944323
Energy: 0.5099663060551368
Energy: 0.5254310598013975
Energy: 0.3778907516409875
Energy: 0.4742621021985527
Energy: 0.3778898803307807
Energy: 0.5254310598002648
Energy: 0.3778907516417426
Energy: 0.47082893961528927
Energy: 0.3622951656980952
Energy: 0.40606523253756277
Energy: 0.5022582825006835
Energy: 0.4055595915723303
Energy: 0.3622951656984727
Energy: 0.40606523253869536
Energy: 0.5022582825021937
Energy: 0.4296657547799347
Energy: 0.37782243894490275
Energy: 0.4134050293398275
Energy: 0.37671862749777507
Energy: 0.4296657547784245
Energy: 0.37782243894641293
Energy: 0.4024747302063967
Energy: 0.36222782257818
Energy: 0.41096573774920314
Energy: 0.39025382838259925
Energy: 0.4752018380473623
Energy: 0.3622278225778024
Energy: 0.41096573774769296
Energy: 0.3902538283848644
Energy: 0.3557538628150432
Energy: 0.37773216825384737
Energy: 0.5116972680656025
Energy: 0.3102500487536566
Energy: 0.3557538628157982
Energy: 0.37773216825460243
Energy: 0.5157304791062456
Energy: 0.3378974001237008
Energy: 0.45833602037537075
Energy: 0.3589709806566851
Energy: 0.455953683327121
Energy: 0.3378974001252109
Energy: 0.45833602037688087
Energy: 0.35897098065517496
Energy: 0.34191847899805583
Energy: 0.41296609761243347
Energy: 0.5139637502617935
Energy: 0.41296339423405987
Energy: 0.34191847899918837
Energy: 0.41296609761092334
Energy: 0.5139637502617935
Energy: 0.33791029520300314
Energy: 0.45594139389499966
Energy: 0.35906156902245984
Energy: 0.4584176613460375
Energy: 0.3379102952056459
Energy: 0.4559413938961322
Energy: 0.3590615690232149
Energy: 0.35604811473193465
Energy: 0.3102444847534877
Energy: 0.4468663749040146
Energy: 0.3778334800606518
Energy: 0.35604811473117953
Energy: 0.31024448475613037
Energy: 0.4468663749043921
Energy: 0.36225652252118035
Energy: 0.47564573148842687
Energy: 0.3889537413329829
Energy: 0.4109424196615202
Energy: 0.3622565225219354
Energy: 0.4756457314914472
Energy: 0.38895374133222776
Energy: 0.4300089787245597
Energy: 0.3767665505451599
Energy: 0.4623413417659243
Energy: 0.37780400714846735
Energy: 0.4300089787256923
Energy: 0.3767665505451599
Energy: 0.46234134176328157
Energy: 0.36043849518535537
Energy: 0.40528771411411
Energy: 0.5022615878201485
Energy: 0.40672983170024035
Energy: 0.36043849518497795
Energy: 0.40528771411448755
Energy: 0.5022615878186383
Energy: 0.5255419613743887
Energy: 0.377739699499265
Energy: 0.3890173514927747
Energy: 0.3778668297042719
Energy: 0.5255419613758988
Energy: 0.37773969950077513
Energy: 0.3890173514939073
Energy: 0.360559547668505
Energy: 0.335259637097178
Energy: 0.5099663060577796
Energy: 0.33521934002672343
Energy: 0.36055954766774995
Energy: 0.33525963709982076
Energy: 0.5099663060555143
Energy: 0.525431059801775
Energy: 0.37789075164136504
Energy: 0.42171030117739755
Energy: 0.3778898803311582
Energy: 0.5254310598002648
Energy: 0.3778907516417426
Energy: 0.4217103011747549
Energy: 0.3622951656984727
Energy: 0.40606523253718524
Energy: 0.5022582825014387
Energy: 0.40555959157346294
Energy: 0.3622951656984727
Energy: 0.40606523253794036
Energy: 0.5022582825010611
Energy: 0.4296657547372736
Energy: 0.3778224389452803
Energy: 0.3674186372538343
Energy: 0.3767186274985301
Energy: 0.4296657547372736
Energy: 0.3778224389467904
Energy: 0.3674186372534568
Energy: 0.362227822578935
Energy: 0.4109657377495806
Energy: 0.3902538283829768
Energy: 0.4752018380473623
Energy: 0.36222782257818
Energy: 0.41096573774882555
Energy: 0.3902538283852419
Energy: 0.3557538628157982
Energy: 0.37773216825346984
Energy: 0.5205798414341248
Energy: 0.31025004875327905
Energy: 0.3557538628157982
Energy: 0.37773216825460243
Energy: 0.5205798414337474
Energy: 0.3378974001237008
Energy: 0.4583360203749932
Energy: 0.3589709806566851
Energy: 0.4559536833267436
Energy: 0.3378974001255884
Energy: 0.4583360203749932
Energy: 0.35897098065517496
Energy: 0.34191847899805583
Energy: 0.4129660976116784
Energy: 0.4835039487944854
Energy: 0.41296339423557
Energy: 0.3419184789995659
Energy: 0.4129660976105458
Energy: 0.48350394879599545
Energy: 0.33791029520300314
Energy: 0.45594139389499966
Energy: 0.35906156902245984
Energy: 0.4584176613460375
Energy: 0.3379102952056459
Energy: 0.45594139389575467
Energy: 0.3590615690232149

minimum gb energy = 0.3102444847534877 eV
minimum distance =  2.55854317931846 Angstroms
sigma value = 21


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

Energy: 0.39327660859562796
Energy: 0.46839303673662563
Energy: 0.39438357649576833
Energy: 0.4685779899859942
Energy: 0.39327660859562796
Energy: 0.4683930367361674
Energy: 0.3782456662696473
Energy: 0.38227071446587024
Energy: 0.360395284253151
Energy: 0.4619525377569936
Energy: 0.36177441305347424
Energy: 0.38227071446541183
Energy: 0.3603952842526926
Energy: 0.46195253775745193
Energy: 0.39196978536213106
Energy: 0.3933267239783682
Energy: 0.3571938200745345
Energy: 0.36094085188057734
Energy: 0.3919697853616728
Energy: 0.3933267239783682
Energy: 0.3571938200740762
Energy: 0.3901985591942338
Energy: 0.39804989796025625
Energy: 0.3883346606065995
Energy: 0.38320861450022875
Energy: 0.39019855919377555
Energy: 0.3980498979611729
Energy: 0.3883346606070578
Energy: 0.3777779493729459
Energy: 0.43637858544902897
Energy: 0.4257473828831464
Energy: 0.3994387308830585
Energy: 0.37777794937432085
Energy: 0.4363785854499456
Energy: 0.40860572880258417
Energy: 0.39011688995609745
Energy: 0.3834848965387575
Energy: 0.39613804177239803
Energy: 0.36096255652781045
Energy: 0.3901168899570141
Energy: 0.3834848965387575
Energy: 0.3961380417701065
Energy: 0.3988329049538434
Energy: 0.45427814839736563
Energy: 0.40924404007202303
Energy: 0.4014701843227522
Energy: 0.3988329049538434
Energy: 0.45427814839874053
Energy: 0.4276690780662586
Energy: 0.3920251787406695
Energy: 0.3798924219022929
Energy: 0.42227868899760673
Energy: 0.3612930285661077
Energy: 0.39202517874158616
Energy: 0.3798924219022929
Energy: 0.4222786889971483
Energy: 0.4017554394732568
Energy: 0.38000398554910375
Energy: 0.42942726261803543
Energy: 0.41158518038216113
Energy: 0.4017554394723402
Energy: 0.38000398554818715
Energy: 0.4294272626184938
Energy: 0.38742367768486424
Energy: 0.383884699106403
Energy: 0.3899812492919122
Energy: 0.39828979513194057
Energy: 0.38742367768532254
Energy: 0.3838846991059447
Energy: 0.38998124929053724
Energy: 0.4127019332813107
Energy: 0.4267459821823585
Energy: 0.412964068330766
Energy: 0.40246818472240187
Energy: 0.4127019332808525
Energy: 0.42674598218190013
Energy: 0.3874279151760736
Energy: 0.34367777207658295
Energy: 0.4006576899962728
Energy: 0.42674220430720067
Energy: 0.3838558530095997
Energy: 0.34367777207841615
Energy: 0.4006576899958146
Energy: 0.4267422043062841
Energy: 0.39845383423147407
Energy: 0.37734156906453026
Energy: 0.3825341498161228
Energy: 0.3955443269047533
Energy: 0.398453834232849
Energy: 0.3773415690636136
Energy: 0.3825341498165811
Energy: 0.3437669882426258
Energy: 0.4005353908423271
Energy: 0.3833570065033809
Energy: 0.4086092737346748
Energy: 0.3437669882426258
Energy: 0.4005353908427854
Energy: 0.3833570065033809
Energy: 0.3586873621597835
Energy: 0.3581124507066601
Energy: 0.38314344779714843
Energy: 0.38937242115007586
Energy: 0.3586873621593251
Energy: 0.35811245070711833
Energy: 0.3951397409234124
Energy: 0.34363394916139334
Energy: 0.4414224007066964
Energy: 0.37925240384913467
Energy: 0.4061495812845765
Energy: 0.3436339491600183
Energy: 0.44142240070715466
Energy: 0.37925240384959297
Energy: 0.3902909140314946
Energy: 0.35849286250457185
Energy: 0.4707546039446402
Energy: 0.3897907283369328
Energy: 0.39029091403103633
Energy: 0.35849286250457185
Energy: 0.4707546039441819
Energy: 0.3435919134631049
Energy: 0.4003914620769035
Energy: 0.37402950948760333
Energy: 0.4189039383539716
Energy: 0.34359191346356327
Energy: 0.4003914620759869
Energy: 0.37402950948714503
Energy: 0.4106851217042343
Energy: 0.35813954605837744
Energy: 0.44878704515998147
Energy: 0.37642400449162944
Energy: 0.4106851217042343
Energy: 0.35813954605975235
Energy: 0.4487870451595232
Energy: 0.34363100311674094
Energy: 0.4226496234556842
Energy: 0.3744249745529053
Energy: 0.42325780480134784
Energy: 0.34363100311674094
Energy: 0.4226496234543092
Energy: 0.3744249745519887
Energy: 0.4108857849113228
Energy: 0.37640051952601933
Energy: 0.44875751471819225
Energy: 0.35818808731013974
Energy: 0.4108857849108646
Energy: 0.3764005195251027
Energy: 0.44875751471773395
Energy: 0.3436073169722651
Energy: 0.41890107926173564
Energy: 0.3739796446194818
Energy: 0.40042231287472635
Energy: 0.3436073169722651
Energy: 0.41890107926173564
Energy: 0.37397964461994015
Energy: 0.3903236877966079
Energy: 0.3895435949214815
Energy: 0.5144528709776083
Energy: 0.35852006801527386
Energy: 0.39032368779477467
Energy: 0.38954359492102314
Energy: 0.5144528709780666
Energy: 0.34346805025776495
Energy: 0.40631836300876945
Energy: 0.37914536746521704
Energy: 0.4414749440271869
Energy: 0.34346805025776495
Energy: 0.40631836300831115
Energy: 0.37914536746567534
Energy: 0.3586932976006788
Energy: 0.3898032645730762
Energy: 0.4118661565267556
Energy: 0.3581815903007582
Energy: 0.3586932976020538
Energy: 0.38980326457353454
Energy: 0.4118661565262973

minimum gb energy = 0.34346805025776495 eV
minimum distance =  2.42792104140167 Angstroms
sigma value = 113


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

Energy: 0.4533584852658886
Energy: 0.4517039698760982
Energy: 0.4268876252142125
Energy: 0.4509236565900619
Energy: 0.4533584852645865
Energy: 0.4517039698742845
Energy: 0.4268876252157472
Energy: 0.4340827518997202
Energy: 0.4355570441850997
Energy: 0.4855056574306565
Energy: 0.43942900588092915
Energy: 0.4340827518989296
Energy: 0.4355570441866343
Energy: 0.4855056574293543
Energy: 0.4537009703319128
Energy: 0.4395378912574409
Energy: 0.4662606670828134
Energy: 0.43822769644268417
Energy: 0.45370097033372647
Energy: 0.4395378912561388
Energy: 0.4662606670853712
Energy: 0.38912366521133224
Energy: 0.44993637347667553
Energy: 0.4257748098600045
Energy: 0.4277073948486504
Energy: 0.3891236652121229
Energy: 0.4499363734782102
Energy: 0.42577480986153915
Energy: 0.4506296608997302
Energy: 0.4111114523783528
Energy: 0.43287592985375534
Energy: 0.40813477255647
Energy: 0.45062966089721895
Energy: 0.41111145237937585
Energy: 0.43287592985454587
Energy: 0.40405736173314205
Energy: 0.44311561791277454
Energy: 0.41928587977927767
Energy: 0.4271168069849477
Energy: 0.4040573617308633
Energy: 0.44311561791254195
Energy: 0.41928587977899867
Energy: 0.4599524779559741
Energy: 0.4333008971106519
Energy: 0.4420165387729668
Energy: 0.3958018068283037
Energy: 0.4599524779559741
Energy: 0.4333008971083731
Energy: 0.44055291382867623
Energy: 0.4045652124164159
Energy: 0.4313110558374457
Energy: 0.43888351354708394
Energy: 0.4349002228201378
Energy: 0.40456521241436966
Energy: 0.4313110558374457
Energy: 0.4388835135491302
Energy: 0.4550292371492628
Energy: 0.4161341754996208
Energy: 0.4244919111838983
Energy: 0.40295514417746314
Energy: 0.45502923714744903
Energy: 0.4161341755001323
Energy: 0.42449191118287516
Energy: 0.3908266978033542
Energy: 0.42697928937750557
Energy: 0.4280518116232151
Energy: 0.44626583318637936
Energy: 0.3908266978054004
Energy: 0.42697928937750557
Energy: 0.4280518116250288
Energy: 0.45464831244665105
Energy: 0.4269121514772471
Energy: 0.4265634996798407
Energy: 0.414436749543925
Energy: 0.4546483124438608
Energy: 0.42691215147622386
Energy: 0.4265634996790966
Energy: 0.4224384023829363
Energy: 0.42788542438772476
Energy: 0.44459982670100073
Energy: 0.42863266757824925
Energy: 0.42243840238163416
Energy: 0.42788542438744576
Energy: 0.44459982669690823
Energy: 0.4575453097340719
Energy: 0.4371477110474152
Energy: 0.438993025534957
Energy: 0.42457528678525674
Energy: 0.4575453097348625
Energy: 0.4371477110471362
Energy: 0.4356038516689976
Energy: 0.4387865303602337
Energy: 0.45118477885873226
Energy: 0.4473625573330314
Energy: 0.43864303671450916
Energy: 0.43878653035921056
Energy: 0.45118477885924385
Energy: 0.44736255733019464
Energy: 0.45275476847261004
Energy: 0.4391944739693199
Energy: 0.4673739964932278
Energy: 0.44763536480617466
Energy: 0.4527547684705638
Energy: 0.43919447397006395
Energy: 0.4673226512357963
Energy: 0.45196049958083484
Energy: 0.4384067972849756
Energy: 0.4247417484642925
Energy: 0.43995555599902675
Energy: 0.45196049958134643
Energy: 0.43840679728395254
Energy: 0.4247417484637809
Energy: 0.47209002074111317
Energy: 0.43475870084539053
Energy: 0.4581386703323183
Energy: 0.4236923249601582
Energy: 0.4720900207431595
Energy: 0.43475870084511153
Energy: 0.4581386703331089
Energy: 0.41361617624719166
Energy: 0.4210999345757934
Energy: 0.42836566850940594
Energy: 0.4297841791156995
Energy: 0.41361617624793584
Energy: 0.42109993457477024
Energy: 0.4283656685134984
Energy: 0.4812047849351184
Energy: 0.42377204064957696
Energy: 0.45747821478888107
Energy: 0.412700448593958
Energy: 0.4812047849346068
Energy: 0.4237720406477632
Energy: 0.45747821478939266
Energy: 0.40789369060111286
Energy: 0.4262593472868884
Energy: 0.4283440471200613
Energy: 0.4078707797997424
Energy: 0.40789369060339165
Energy: 0.42625934728540027
Energy: 0.4283440471195497
Energy: 0.4482006983192468
Energy: 0.41455239741731614
Energy: 0.4489533580692891
Energy: 0.4028068584263764
Energy: 0.44820069831947934
Energy: 0.4145523974188508
Energy: 0.43402499230987
Energy: 0.43746361790808785
Energy: 0.41969786758589045
Energy: 0.4413333941117088
Energy: 0.41611806348269914
Energy: 0.4374636179085994
Energy: 0.4196978675812864
Energy: 0.44133339411147626
Energy: 0.4217577745055822
Energy: 0.42449997303582576
Energy: 0.43601086146642776
Energy: 0.4456400083587014
Energy: 0.42175777450148966
Energy: 0.4244999730353143
Energy: 0.4360108614700088
Energy: 0.44668287812399077
Energy: 0.41236114969559307
Energy: 0.438042909289951
Energy: 0.420285237588646
Energy: 0.44668287812194457
Energy: 0.41236114969559307
Energy: 0.438042909294276
Energy: 0.4113643067429393
Energy: 0.4533810116141127
Energy: 0.4464897225451393
Energy: 0.4539805064311188
Energy: 0.4113643067398699
Energy: 0.45338101161513583
Energy: 0.44648972254434866
Energy: 0.40072454842146793
Energy: 0.410520393896797
Energy: 0.4403214077608088
Energy: 0.4283197516041792
Energy: 0.40072454841993327
Energy: 0.4105203938973085
Energy: 0.4403214077610879
Energy: 0.41869605063696996
Energy: 0.44267742406589267
Energy: 0.428900264247791
Energy: 0.4578684780198595
Energy: 0.4186960506382721
Energy: 0.4426774240661717
Energy: 0.4318674235587401
Energy: 0.40133676093938964
Energy: 0.4008083319080179
Energy: 0.4222154879595588
Energy: 0.45537782026590334
Energy: 0.40133676094069176
Energy: 0.40080833191006415
Energy: 0.42221548795979136
Energy: 0.4295804249775813
Energy: 0.43573435436520136
Energy: 0.4306428208926894
Energy: 0.44527123777598765
Energy: 0.4295804249780929
Energy: 0.43573435436594554
Energy: 0.43064282088757383
Energy: 0.4000097482622697
Energy: 0.40428497702607213
Energy: 0.4282667752160675
Energy: 0.4536674588960128
Energy: 0.4000097482597119
Energy: 0.4042849770245375
Energy: 0.4282667752163
Energy: 0.44025799516322184
Energy: 0.44217776252935065
Energy: 0.45669548504597746
Energy: 0.44624378358846045
Energy: 0.4402579951639659
Energy: 0.4421777625301413
Energy: 0.456695485046489
Energy: 0.40646313396056905
Energy: 0.4087204505827992
Energy: 0.41389111524078015
Energy: 0.4196373202687176
Energy: 0.4064631339636384
Energy: 0.40872045058307827
Energy: 0.413891115239757
Energy: 0.3944707581321667
Energy: 0.43555510935278247
Energy: 0.4307467951946411
Energy: 0.43832186658757605
Energy: 0.3944707581329573
Energy: 0.4355551093543171
Energy: 0.4307467951941295
Energy: 0.38392552658358975
Energy: 0.43787877533857467
Energy: 0.43083406729260565
Energy: 0.41949458210657986
Energy: 0.38392552658614754
Energy: 0.4378787753368074
Energy: 0.43083406729260565
Energy: 0.40231406231573497
Energy: 0.4173264077132976
Energy: 0.40313044924878405
Energy: 0.4358663475510301
Energy: 0.4023140623139677
Energy: 0.41732640771506485
Energy: 0.4031304492457147
Energy: 0.40407603465692876
Energy: 0.4376767643614301
Energy: 0.4323741572274392
Energy: 0.40814194910270957
Energy: 0.4040760346571613
Energy: 0.43767676435915137
Energy: 0.43237415722869493
Energy: 0.401346409146703
Energy: 0.41679298103359635
Energy: 0.4219687377062363
Energy: 0.44702971672192876
Energy: 0.40134640914749353
Energy: 0.4167929810346195
Energy: 0.4219687377072594
Energy: 0.4125950527106522
Energy: 0.43661935011060704
Energy: 0.4391558467264373
Energy: 0.4365762917184487
Energy: 0.4125950527104197
Energy: 0.4366193501085607
Energy: 0.4391558467246236
Energy: 0.4107418384974221
Energy: 0.4188180220350534
Energy: 0.4296746119177137
Energy: 0.4512079551044284
Energy: 0.4107418384940737
Energy: 0.4188180220319841
Energy: 0.429674611915435
Energy: 0.4154689066763873
Energy: 0.4439598703434787
Energy: 0.4355580575180541
Energy: 0.4142236815494623
Energy: 0.4154689066761548
Energy: 0.4439598703432462
Energy: 0.43555805751930976
Energy: 0.4288099792237868
Energy: 0.4199591909299278
Energy: 0.45325631130378846
Energy: 0.4326218297839727
Energy: 0.4288099792199268
Energy: 0.4199591909291372
Energy: 0.45325631130504407
Energy: 0.4135432913526774
Energy: 0.44126602454930147
Energy: 0.4488949748363398
Energy: 0.433877095246956
Energy: 0.4135432913539796
Energy: 0.44126602454827835
Energy: 0.4488949748366189
Energy: 0.4358967830535207
Energy: 0.4210081450967853
Energy: 0.4411906859473604
Energy: 0.44490229644630397
Energy: 0.43589678305454377
Energy: 0.4210081450942275
Energy: 0.44119068594457
Energy: 0.43990033637446085
Energy: 0.4306872967099094
Energy: 0.4485486564058538
Energy: 0.40813738613964035
Energy: 0.4399003363780417
Energy: 0.43068729670809563
Energy: 0.4485486564058538
Energy: 0.4070004383115763
Energy: 0.4366391850153074
Energy: 0.42868741729854287
Energy: 0.4583032941675807
Energy: 0.4070004383115763
Energy: 0.4366391850125171
Energy: 0.428687417299845

minimum gb energy = 0.38392552658358975 eV
minimum distance =  2.49049897226683 Angstroms
sigma value = 365


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

Energy: 0.5537999520919334
Energy: 0.44806122570764595
Energy: 0.5044023420755888
Energy: 0.44806122570822265
Energy: 0.55379995209078
Energy: 0.44806122570822265
Energy: 0.46185214391759216
Energy: 0.55379995209078
Energy: 0.44806122570822265
Energy: 0.4696379593382665
Energy: 0.44806122570764595
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.5048737241738815
Energy: 0.5537999520913567
Energy: 0.44806122570649254
Energy: 0.4490201109900122
Energy: 0.44806122570764595
Energy: 0.5537999520925101
Energy: 0.44806122570706924
Energy: 0.5048737241727282
Energy: 0.5537999520925101
Energy: 0.44806122570764595
Energy: 0.49000841053475963
Energy: 0.44806122570822265
Energy: 0.55379995209078
Energy: 0.44806122570764595
Energy: 0.5048737241761883
Energy: 0.55379995209078
Energy: 0.44806122570764595
Energy: 0.490005846744978
Energy: 0.44806122570764595
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.5048737241767649
Energy: 0.55379995209078
Energy: 0.44806122570706924
Energy: 0.42415892329368116
Energy: 0.4480612257087993
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.4900058467363277
Energy: 0.5537999520919334
Energy: 0.44806122570822265
Energy: 0.490008378579614
Energy: 0.44806122570706924
Energy: 0.55379995209078
Energy: 0.44806122570822265
Energy: 0.4538760570209956
Energy: 0.5537999520902033
Energy: 0.44806122570822265
Energy: 0.4900058467426713
Energy: 0.44806122570706924
Energy: 0.5537999520913567
Energy: 0.44806122570706924
Energy: 0.4900058467714795
Energy: 0.55379995209078
Energy: 0.44806122570706924
Energy: 0.5048737241727282
Energy: 0.44806122570764595
Energy: 0.5537999520925101
Energy: 0.44806122570706924
Energy: 0.5048737241715747
Energy: 0.5537999520919334
Energy: 0.4480612257087993
Energy: 0.46185132707991494
Energy: 0.44806122570706924
Energy: 0.55379995209078
Energy: 0.44806122570764595
Energy: 0.4538747617884041
Energy: 0.5537999520902033
Energy: 0.44806122570706924
Energy: 0.4900058467755163
Energy: 0.44806122570764595
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.473703301830365
Energy: 0.55379995209078
Energy: 0.44806122570822265
Energy: 0.504873724180225
Energy: 0.44806122570822265
Energy: 0.5537999520925101
Energy: 0.44806122570706924
Energy: 0.5048737241796484
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.5048737241779183
Energy: 0.44806122570822265
Energy: 0.55379995209078
Energy: 0.44806122570706924
Energy: 0.5048737241779183
Energy: 0.55379995209078
Energy: 0.4480612257087993
Energy: 0.5048737241790717
Energy: 0.44806122570706924
Energy: 0.5537999520919334
Energy: 0.44806122570764595
Energy: 0.5048737241813785
Energy: 0.55379995209078
Energy: 0.44806122570706924
Energy: 0.5048737241704213
Energy: 0.44806122570822265
Energy: 0.5537999520925101
Energy: 0.44806122570706924
Energy: 0.5048737241715747
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.5048737241767649
Energy: 0.44806122570764595
Energy: 0.5537999520902033
Energy: 0.4480612257087993
Energy: 0.5048737241744582
Energy: 0.5537999520902033
Energy: 0.44806122570649254
Energy: 0.5048737241790717
Energy: 0.44806122570764595
Energy: 0.5537999520919334
Energy: 0.44806122570706924
Energy: 0.5048737241790717
Energy: 0.55379995209078
Energy: 0.44806122570764595
Energy: 0.504873724178495
Energy: 0.44806122570764595
Energy: 0.5537999520919334
Energy: 0.44806122570764595
Energy: 0.504873724180225
Energy: 0.5537999520919334
Energy: 0.44806122570764595
Energy: 0.504873724178495
Energy: 0.44806122570822265
Energy: 0.55379995209078
Energy: 0.44806122570822265
Energy: 0.5048737241750348
Energy: 0.5537999520902033
Energy: 0.44806122570764595
Energy: 0.5048737241744582
Energy: 0.44806122570822265
Energy: 0.5537999520913567
Energy: 0.44806122570706924
Energy: 0.5048737241779183

minimum gb energy = 0.42415892329368116 eV
minimum distance =  2.61192199688687 Angstroms
sigma value = 23