Model name: model_name=Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.182049587368965
cohesive_energy=3.9027539519879038
mass=196.9665
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=[2.3517549722169e-19, 2.8205518553253e-19, 3.2593880353778998e-19, 3.6495661110559198e-19, 3.9796144976599198e-19, 4.2357865196701797e-19, 4.42574058139722e-19, 4.5828500221272605e-19, 4.73678715312198e-19, 4.90339750129164e-19, 5.0855489628111e-19, 5.27455774032408e-19, 5.45834342201022e-19, 5.62714875216846e-19, 5.775974939700719e-19, 5.903091633842279e-19, 6.0080021598365995e-19, 6.091010931244139e-19, 6.15362399410086e-19, 6.197956221563639e-19, 6.22668324861126e-19, 6.243073515577079e-19, 6.250555680457859e-19, 6.2524142053533e-19, 6.251244616410479e-19, 6.2486490902634e-19, 6.243794495062379e-19, 6.2314417132142395e-19, 6.19933409346888e-19, 6.126995818443779e-19, 5.99000971623678e-19, 5.778442291717079e-19, 5.550724926726659e-19, 5.4851318153307e-19, 5.43552842674206e-19, 5.3461429923312e-19, 5.20527962266992e-19, 4.99241443507668e-19, 4.67503926564762e-19, 4.2121544143186797e-19, 3.55390014423978e-19, 2.63087016362604e-19, 1.349796964082418e-19, -4.1238424382526e-20, -2.81989496290536e-19, -6.1590073075911e-19, -1.086453599458374e-18, -1.75489611075288e-18, -2.7109629735596998e-18, -4.06081280947104e-18, -5.854241268271619e-18, -8.20689345940356e-18, -1.1568932951721838e-17, -1.7937649158937198e-17]
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: 0.013773874173394532
Energy: 0.22411424108993858
Energy: 0.22416229913460578
Energy: 0.32132824421695116
Energy: 0.3221005640560436
Energy: 0.10987211989329883
Energy: 0.015213064423374128
Energy: 0.045157395668761285
Energy: 0.2908251179094688
Energy: 0.08320655296970944
Energy: 0.285718065929883
Energy: 0.19780984670878432
Energy: 0.014875643555609825
Energy: 0.047030567014493666
Energy: 0.014063494044991678
Energy: 0.28493511058858945
Energy: 0.28852054970681434
Energy: 0.28359202840383285
Energy: 0.2729307186225107
Energy: 0.047234100474959836
Energy: 0.0471988937153784
Energy: 0.015207276597329743
Energy: 0.22418722285332415
Energy: 0.2854672673175791
Energy: 0.3213277216085682
Energy: 0.3227162804710682
Energy: 0.045407837867791186
Energy: 0.01478425502766138
Energy: 0.1080197741041801
Energy: 0.2912897295694922
Energy: 0.08501354525713552
Energy: 0.22686836250355566
Energy: 0.1967409429425608
Energy: 0.016972848760937725
Energy: 0.04710156053151685
Energy: 0.013988306822241949
Energy: 0.2542105876130144
Energy: 0.28822202715700196
Energy: 0.2836035717228453
Energy: 0.2726370433608193
Energy: 0.047570210571368815
Energy: 0.046644425845931876

minimum gb energy = 0.013773874173394532 eV
minimum distance =  2.92658019575879 Angstroms
sigma value = 5


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

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Energy: 0.5262834474697698
Energy: 0.44149506398493515
Energy: 0.48816036533807594
Energy: 0.4825321328666825
Energy: 0.4340921733759308
Energy: 0.4949983285549733
Energy: 0.4085505173629947
Energy: 0.44958358440895224
Energy: 0.42354414259808226
Energy: 0.4415393427217514
Energy: 0.4376341313438881
Energy: 0.4181979191232309
Energy: 0.428146442879522
Energy: 0.4802060790185399
Energy: 0.4169855777761651
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Energy: 0.47798471659889963
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Energy: 0.44141033760932324
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Energy: 0.4546407947205754
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Energy: 0.4422123752747089
Energy: 0.4548005638065321
Energy: 0.44575152153424996
Energy: 0.43108795743475625
Energy: 0.44652684897351747
Energy: 0.46142676648324876
Energy: 0.4163149218646073
Energy: 0.4622249068227775
Energy: 0.4290910437070687
Energy: 0.45706116780789335
Energy: 0.42544803726908387
Energy: 0.4255748294754582
Energy: 0.41868365477752956
Energy: 0.46520183608412635
Energy: 0.42090980843282777
Energy: 0.45631738571432057
Energy: 0.4476751554924408
Energy: 0.42299279418917646
Energy: 0.4308289860075896
Energy: 0.4046441974095531
Energy: 0.42253838948656297
Energy: 0.43073445926674964
Energy: 0.43698381982531387
Energy: 0.46367535124856724
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Energy: 0.4530467162151159
Energy: 0.4580935884642467
Energy: 0.48468513847463324
Energy: 0.43810078120170703
Energy: 0.4321103168300076

minimum gb energy = 0.4046441974095531 eV
minimum distance =  2.68530934148575 Angstroms
sigma value = 401


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

Energy: 0.4081271244638278
Energy: 0.47702208499110876
Energy: 0.43711681856496465
Energy: 0.3734639555981825
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Energy: 0.3927329033643206
Energy: 0.3884846811589072
Energy: 0.4187930470500015
Energy: 0.4072956894946871
Energy: 0.47746765065142077
Energy: 0.4265840638269619
Energy: 0.40740534294194586
Energy: 0.4142501476752928
Energy: 0.3929274483653884
Energy: 0.4633719052889061
Energy: 0.4551924828729374
Energy: 0.4320223894482007
Energy: 0.4135145093784011
Energy: 0.40302388797262284
Energy: 0.3992660007380184
Energy: 0.3810067591130598
Energy: 0.42048204442701037
Energy: 0.3985960881029134
Energy: 0.4107198237484471
Energy: 0.42332861814365685
Energy: 0.4263521191223578
Energy: 0.3937934270187217
Energy: 0.3864224261795523
Energy: 0.4579583578123153
Energy: 0.4023312767688676
Energy: 0.402717555498822
Energy: 0.4219654695742543
Energy: 0.4344264433267082
Energy: 0.40354733837449025
Energy: 0.4016930190790963
Energy: 0.41841343752932886
Energy: 0.40414527359945146
Energy: 0.4053898935373673
Energy: 0.42938928594363807
Energy: 0.42250749776425917
Energy: 0.3767964777358253
Energy: 0.441314784800229
Energy: 0.39503351412207766
Energy: 0.39761261217401317
Energy: 0.40208376010222485
Energy: 0.4181970630990598
Energy: 0.4437547305766519
Energy: 0.48556054529301174
Energy: 0.46597928981626274
Energy: 0.3888707105317004
Energy: 0.40722004245407456
Energy: 0.4032047395442809
Energy: 0.4232453177474582
Energy: 0.43724118672500983
Energy: 0.446075310127337
Energy: 0.48223075355395667
Energy: 0.3960071537431653
Energy: 0.3985656005559899
Energy: 0.40307007017277435
Energy: 0.43396445604038475
Energy: 0.421207499221131
Energy: 0.39174450835339497
Energy: 0.41803348736182727
Energy: 0.43569998886564226
Energy: 0.39809926502732806
Energy: 0.4439648089294123
Energy: 0.42414293155706995
Energy: 0.4267995027815988
Energy: 0.4067979402435274
Energy: 0.4042034782454775
Energy: 0.41679303013050856
Energy: 0.39899713216270427
Energy: 0.42069496602978357
Energy: 0.41494984403716073
Energy: 0.4075783589076382
Energy: 0.41205471612274513
Energy: 0.41169871610960773
Energy: 0.38926143449883477
Energy: 0.4212352740424776
Energy: 0.4772403792078396
Energy: 0.4128697701929722
Energy: 0.41067156756808704
Energy: 0.41414924042274975
Energy: 0.37186865455022833
Energy: 0.4937434581131156
Energy: 0.4498802661415384
Energy: 0.4383647974866066
Energy: 0.41636271433656064
Energy: 0.4038358211173031
Energy: 0.39359716162836605
Energy: 0.38557221298144084
Energy: 0.3986791352083471
Energy: 0.4340477747653836
Energy: 0.43570567492893053
Energy: 0.42215817082735774
Energy: 0.426850164244411
Energy: 0.39693842658248735
Energy: 0.3816237157117719
Energy: 0.4353425093951149
Energy: 0.4095425553718106
Energy: 0.40353413487650475
Energy: 0.4200664262319311
Energy: 0.42798554994331783
Energy: 0.4032258371798004
Energy: 0.41898361319128347
Energy: 0.42008387741441544
Energy: 0.3990912799800039
Energy: 0.43231353006584805
Energy: 0.428745037010665
Energy: 0.4169264526569181
Energy: 0.49862510870932053
Energy: 0.44387313984962123
Energy: 0.3867588523762582
Energy: 0.3976722369316782
Energy: 0.4031553962006259
Energy: 0.41385056943334164
Energy: 0.4227217048447389
Energy: 0.42533474797355103
Energy: 0.412241822987598
Energy: 0.40125700836240696
Energy: 0.40996166855343735

minimum gb energy = 0.37186865455022833 eV
minimum distance =  2.72983983743734 Angstroms
sigma value = 311


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

Energy: 0.4085968169267263
Energy: 0.45241987456732713
Energy: 0.3886964998477601
Energy: 0.39248709422999
Energy: 0.3967263482580592
Energy: 0.38544057491614725
Energy: 0.4272041083289592
Energy: 0.40174707797209275
Energy: 0.41844894595349186
Energy: 0.39648831461855505
Energy: 0.4199360736303651
Energy: 0.3894415150187221
Energy: 0.42965525592670883
Energy: 0.41214143095518246
Energy: 0.4251281124183025
Energy: 0.3982954563967659
Energy: 0.3929350302593863
Energy: 0.4090957338006472
Energy: 0.37998111609932966
Energy: 0.4087444987383957
Energy: 0.41012799319258114
Energy: 0.3956670578587248
Energy: 0.4338372383053524
Energy: 0.39023573346421603
Energy: 0.38673917934356405
Energy: 0.4202018402413949
Energy: 0.3837151500533491
Energy: 0.4039830567595172
Energy: 0.42900937462581096
Energy: 0.3837158460662236
Energy: 0.40308900514607887
Energy: 0.41621947041472585
Energy: 0.39351764435875913
Energy: 0.43259847497160486
Energy: 0.4005493248455121
Energy: 0.40360038481940885
Energy: 0.4225493863355007
Energy: 0.40702438554082515
Energy: 0.39858663572070296
Energy: 0.40575922402683196
Energy: 0.3987504375219472
Energy: 0.38910725875501756
Energy: 0.38010479819704956
Energy: 0.3883828299163668
Energy: 0.4135469311890803
Energy: 0.3877568802426826
Energy: 0.41726843086435667
Energy: 0.4007291538094169
Energy: 0.3943609592943957
Energy: 0.4123797933009733
Energy: 0.41668859974377476
Energy: 0.40243411867803747
Energy: 0.41587869020796553
Energy: 0.4138031337230966
Energy: 0.4284609794668049
Energy: 0.4052364191516494
Energy: 0.39865149364719393
Energy: 0.37658361859296563
Energy: 0.4335641073413875
Energy: 0.3837269494064453
Energy: 0.3862905229999145
Energy: 0.4103166520279744
Energy: 0.39046099920267435
Energy: 0.3941245588585163
Energy: 0.4161127432143357
Energy: 0.4009528673603566
Energy: 0.41431132931862114
Energy: 0.4163547557498092
Energy: 0.38284492367456824
Energy: 0.4114664271371993
Energy: 0.41008355092148735
Energy: 0.42113099928215836
Energy: 0.39793152038537355
Energy: 0.42057788409113633
Energy: 0.400056891775737
Energy: 0.43704076328594205
Energy: 0.3900713151380792
Energy: 0.39062009777680406
Energy: 0.4038708239690327
Energy: 0.40846854459403953
Energy: 0.38335676539988234
Energy: 0.39385693630391305
Energy: 0.3933353627190744
Energy: 0.4125103257022139
Energy: 0.40658767928251244
Energy: 0.4172924200345398
Energy: 0.40296625755053306
Energy: 0.3855403741151404
Energy: 0.4124757986827742
Energy: 0.3835265292001226
Energy: 0.39433715322903423
Energy: 0.4145965498186283
Energy: 0.44733566081407844
Energy: 0.4091614218873127
Energy: 0.4119121559193515
Energy: 0.4136495300062163
Energy: 0.435470051834232
Energy: 0.4161592806507338
Energy: 0.40792343306090784
Energy: 0.3969748118130079
Energy: 0.4215885922201666
Energy: 0.3943894553501719
Energy: 0.3814434966238138
Energy: 0.4162466887058761
Energy: 0.3901746917426617
Energy: 0.38798200895790175
Energy: 0.40978731371204297
Energy: 0.41476683757964505
Energy: 0.40019809958024416
Energy: 0.4098212475832729
Energy: 0.3925975066741121
Energy: 0.41294510384168037
Energy: 0.43396748003721136
Energy: 0.3755278050938308
Energy: 0.3821878123510902
Energy: 0.4123981210996632
Energy: 0.4046944370389114
Energy: 0.4073552363301783
Energy: 0.40086610445532067
Energy: 0.39946001035181133
Energy: 0.40267959679148924
Energy: 0.4023551434615526
Energy: 0.4135061679643086
Energy: 0.37516395097457533
Energy: 0.3810810186509462
Energy: 0.40509492163810445
Energy: 0.4147966463380569
Energy: 0.39050708035296433
Energy: 0.40077865148528397
Energy: 0.4065617342056564
Energy: 0.43401247188063924
Energy: 0.36924793255411914
Energy: 0.4362094063963332
Energy: 0.4185277648988745
Energy: 0.42402262567588755
Energy: 0.38619818253019134
Energy: 0.4453520994701783
Energy: 0.4241030917669834
Energy: 0.40073195552477164
Energy: 0.41158927229601966
Energy: 0.39823185672974054
Energy: 0.39729745031341246
Energy: 0.4126578995918087
Energy: 0.38535924324059506
Energy: 0.40317113020635953
Energy: 0.38531879963165905
Energy: 0.40569951808146565
Energy: 0.38841802642293954
Energy: 0.4053660404826816
Energy: 0.4113364387954657
Energy: 0.4006470963909344
Energy: 0.42333053572290086
Energy: 0.40021933807730603
Energy: 0.41475595900792966
Energy: 0.4438515622774298
Energy: 0.40728477484716136
Energy: 0.4005729225810121
Energy: 0.4335470431585912
Energy: 0.39084555496135576
Energy: 0.4286678938169013
Energy: 0.4118149977287938
Energy: 0.4007131755254929
Energy: 0.3990612701427081
Energy: 0.40283863363642797
Energy: 0.3993167355874172
Energy: 0.41408634674043093
Energy: 0.39256406061710375
Energy: 0.41885700337189147
Energy: 0.4224806014043167
Energy: 0.39499085473872136
Energy: 0.41800041633054486
Energy: 0.395407701733736
Energy: 0.4180275005734959
Energy: 0.3895840935521872
Energy: 0.4022572005283536
Energy: 0.42203933126918686
Energy: 0.40666131123754656
Energy: 0.4028350722034183
Energy: 0.4182857029317533
Energy: 0.4133120060520713
Energy: 0.4276859421531554
Energy: 0.42259186639864527
Energy: 0.40319953522845886
Energy: 0.3951836278889465
Energy: 0.3943437172874708
Energy: 0.40227597415723887
Energy: 0.4023823979277707
Energy: 0.40032062317985606
Energy: 0.3914695342877243
Energy: 0.39651478926664485
Energy: 0.40037713607289643
Energy: 0.3968174801870818
Energy: 0.41105671851733294
Energy: 0.4052804083472948
Energy: 0.4119942268447668
Energy: 0.4315929469793347
Energy: 0.40503692687168885
Energy: 0.4032312915191838
Energy: 0.39644566227504563
Energy: 0.42064560846422805
Energy: 0.3900244833995558
Energy: 0.4348266841115389
Energy: 0.39928708489715775
Energy: 0.39232842748783997
Energy: 0.4053837878671135
Energy: 0.43686070437831115
Energy: 0.40649690844357755
Energy: 0.41944309761867016
Energy: 0.3861713993061083
Energy: 0.4148120807333065
Energy: 0.4155583773504123
Energy: 0.3972632380362212
Energy: 0.41345620825658275
Energy: 0.3858722014191524
Energy: 0.42651975583522184
Energy: 0.40762899655178925
Energy: 0.40981832893976017
Energy: 0.42247479751394135
Energy: 0.4135449864834962
Energy: 0.4078737543351927
Energy: 0.42423554877850905
Energy: 0.4114068222081408
Energy: 0.4267751689158629
Energy: 0.43151863979324145
Energy: 0.3987069262531809
Energy: 0.391396805308984
Energy: 0.41141095931912997
Energy: 0.397923388065995
Energy: 0.3991118395337479
Energy: 0.39016037251825425
Energy: 0.4307133996004265
Energy: 0.402622304911798
Energy: 0.38460712413170717
Energy: 0.4152811895079626
Energy: 0.39964282162697246
Energy: 0.42566851048011595
Energy: 0.377833340040931
Energy: 0.4037217987375307
Energy: 0.4056287049677373
Energy: 0.36924557714126127
Energy: 0.380267926115812
Energy: 0.4234313225335573
Energy: 0.39839729012274383
Energy: 0.42448156228615075
Energy: 0.4113172973124464
Energy: 0.39275094488910745
Energy: 0.41159176921150653
Energy: 0.38396960770566585
Energy: 0.43039103841527504
Energy: 0.4221326031087466
Energy: 0.3863275483209726
Energy: 0.4408886233856004

minimum gb energy = 0.36924557714126127 eV
minimum distance =  2.67762774620259 Angstroms
sigma value = 39


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

Energy: 0.3728744053840866
Energy: 0.43989514408276337
Energy: 0.40815113340432774
Energy: 0.43119312757415257
Energy: 0.4417200750871383
Energy: 0.4191901835380791
Energy: 0.37186103470090187
Energy: 0.3813348172210315
Energy: 0.39114424168996575
Energy: 0.40854476171882625
Energy: 0.38326096417311645
Energy: 0.3643574534295387
Energy: 0.3796725893166864
Energy: 0.4099631383626186
Energy: 0.37677601512819314
Energy: 0.37865435256394986
Energy: 0.3990103164720374
Energy: 0.3792634859971942
Energy: 0.36537342371545023
Energy: 0.37807839982040864
Energy: 0.40014796402123215
Energy: 0.3835388938903189
Energy: 0.3712005814421425
Energy: 0.3784213428622958
Energy: 0.377836390478573
Energy: 0.3829134146170737
Energy: 0.3841736055418788
Energy: 0.3975649091427113
Energy: 0.3778781214312145
Energy: 0.3593851518298608
Energy: 0.37553126279649923
Energy: 0.37288428482507174
Energy: 0.40363274456614356
Energy: 0.3891103298985917
Energy: 0.4016244162429927
Energy: 0.3523228830506369
Energy: 0.3634303723708336
Energy: 0.37904862504583386
Energy: 0.39790766393842464
Energy: 0.3926740512826134
Energy: 0.39124890163762593
Energy: 0.41044889645119215
Energy: 0.3924152777862916
Energy: 0.38633437693414113
Energy: 0.38071710896164146
Energy: 0.4119857009896553
Energy: 0.35218363590457163
Energy: 0.3523570325274401
Energy: 0.41009323889239385
Energy: 0.3524458774090217
Energy: 0.3979229488352344
Energy: 0.40749736364738076
Energy: 0.37083491301239796
Energy: 0.4389332266360477
Energy: 0.38205967749017095
Energy: 0.4118135587555674
Energy: 0.3524917815135842
Energy: 0.3932405385812021
Energy: 0.4059213488914676
Energy: 0.37122311011286013
Energy: 0.37107564411347616
Energy: 0.3886590787051536
Energy: 0.4110821387307563
Energy: 0.3921701021723853
Energy: 0.38666368151697206
Energy: 0.39980374965319665
Energy: 0.3823575569855729
Energy: 0.35928464596936227
Energy: 0.37779084288733905
Energy: 0.40454337984195926
Energy: 0.3852003097420136
Energy: 0.36938174956773895
Energy: 0.40839791922733626
Energy: 0.3689320225655106
Energy: 0.35816114105633257
Energy: 0.38692150239563594
Energy: 0.4082039102089976
Energy: 0.38651879519500193
Energy: 0.3597583876357337
Energy: 0.36739522248036055
Energy: 0.3605541552188628
Energy: 0.40458837804392794
Energy: 0.38231037601453555
Energy: 0.40778961171099326
Energy: 0.35128812476362825
Energy: 0.361426674048124
Energy: 0.382087792466143
Energy: 0.37937451471057587
Energy: 0.37702675765386456
Energy: 0.3829129988163049
Energy: 0.3999846869539776
Energy: 0.3911866100490139
Energy: 0.3869887981035802
Energy: 0.3821879254688996
Energy: 0.4092355023009115
Energy: 0.35146899868651876
Energy: 0.35211795797763784
Energy: 0.4165430455818319
Energy: 0.3625908703047182
Energy: 0.40973108476924053
Energy: 0.37846809357555194
Energy: 0.40874998533514034
Energy: 0.352018080723593
Energy: 0.3509462352982712
Energy: 0.4225752822980816
Energy: 0.35169942455458203
Energy: 0.38644148467620576
Energy: 0.4108878178764649
Energy: 0.3811346681855743
Energy: 0.4092436459673256
Energy: 0.41934116049964215
Energy: 0.3721423969694604
Energy: 0.3817125700999796
Energy: 0.35941177108967753
Energy: 0.40881420448387185
Energy: 0.3830294987876078
Energy: 0.36439410862274246
Energy: 0.3795712604415782
Energy: 0.41002667660280606
Energy: 0.3763557808004907
Energy: 0.3785240150314879
Energy: 0.3992911568479412
Energy: 0.3790241075432212
Energy: 0.36516648477353825
Energy: 0.3770260734734167
Energy: 0.4009805335856212
Energy: 0.38309990320222215
Energy: 0.37058275576887256
Energy: 0.40647683311649696
Energy: 0.37835285632196797
Energy: 0.3829384089938935
Energy: 0.3837363841062855
Energy: 0.3973613218869786
Energy: 0.3776445416065601
Energy: 0.3592107135706725
Energy: 0.3760856991835656
Energy: 0.38312408211381005
Energy: 0.4037091879632497
Energy: 0.3891361233336852
Energy: 0.40133604310784526
Energy: 0.3522981833846713
Energy: 0.36342417923609927
Energy: 0.38171005668928104
Energy: 0.3975964736254056
Energy: 0.39339295415081055
Energy: 0.35889284561303775
Energy: 0.4104287819368882
Energy: 0.39225865145964317
Energy: 0.38764588841593994
Energy: 0.3802314686743658
Energy: 0.4124616644405263
Energy: 0.3521509822799732
Energy: 0.35249123054935305
Energy: 0.41298021515289995
Energy: 0.35260353822513585
Energy: 0.3922644363992641
Energy: 0.40809544143252297
Energy: 0.37139959291867963
Energy: 0.3969755743492422
Energy: 0.38211762518095926
Energy: 0.40034435438132904
Energy: 0.3525373015485554
Energy: 0.39338260689147136
Energy: 0.40592109362865136
Energy: 0.3691515172282512
Energy: 0.3703004312629033
Energy: 0.4166517607891906
Energy: 0.41110307643422334
Energy: 0.39215102344482167
Energy: 0.36695314326918527
Energy: 0.3994886664173825
Energy: 0.38245948324592577
Energy: 0.3653619659754003
Energy: 0.3777888036814117
Energy: 0.4021747694192556
Energy: 0.38478690523213693
Energy: 0.36937352323147626
Energy: 0.4084153441688377
Energy: 0.3691821605139263
Energy: 0.35856617884379904
Energy: 0.38050714829249027
Energy: 0.39814553878235376
Energy: 0.38718795675443435
Energy: 0.3595736829611384
Energy: 0.36709621738219045
Energy: 0.36047055266166483
Energy: 0.40488011379899486
Energy: 0.3818003439859139
Energy: 0.4083359632536634
Energy: 0.35132887542937635
Energy: 0.35890559296517405
Energy: 0.38098513741354256
Energy: 0.3793799642600141
Energy: 0.37621945735439594
Energy: 0.3830948652659425
Energy: 0.3997506330998766
Energy: 0.3957047110185732
Energy: 0.38750348883393226
Energy: 0.38202163219991575
Energy: 0.40912718416799854
Energy: 0.3517976024210618
Energy: 0.3519631180370123
Energy: 0.41655086245919687
Energy: 0.362377778933145
Energy: 0.40947584430943257
Energy: 0.3780011631311401
Energy: 0.4010952323407087
Energy: 0.3519204009535222
Energy: 0.3510172986303056
Energy: 0.422355374464508

minimum gb energy = 0.3509462352982712 eV
minimum distance =  2.71473320427825 Angstroms
sigma value = 21


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

Energy: 0.47890411837834235
Energy: 0.49259013906974547
Energy: 0.39256214126151895
Energy: 0.4977282924622416
Energy: 0.40053741316050817
Energy: 0.4007364623416276
Energy: 0.4738955973862526
Energy: 0.3800183166448924
Energy: 0.3550703640372589
Energy: 0.42903416780051706
Energy: 0.44336803485110654
Energy: 0.4080780100719138
Energy: 0.4270360343368414
Energy: 0.4224906247800463
Energy: 0.4372980749871979
Energy: 0.4004980669735771
Energy: 0.3988640682727748
Energy: 0.44327096810763733
Energy: 0.4342267554801261
Energy: 0.4160463210914108
Energy: 0.45882994322008325
Energy: 0.4610114282265333
Energy: 0.4337102581531226
Energy: 0.39608637130122687
Energy: 0.39212888741125473
Energy: 0.38803346586221416
Energy: 0.41960221965355005
Energy: 0.40395011694417104
Energy: 0.36545412987061004
Energy: 0.4278283385517942
Energy: 0.36995350709166036
Energy: 0.38110985911541545
Energy: 0.36403651491758615
Energy: 0.36303069814066485
Energy: 0.3838754781412737
Energy: 0.3575342472730147
Energy: 0.36061916129000166
Energy: 0.3638828106290613
Energy: 0.39517419575061974
Energy: 0.36684044697470514
Energy: 0.368643047663425
Energy: 0.3784754637465592
Energy: 0.4219422801280285
Energy: 0.4193616857027562
Energy: 0.3803865025586299
Energy: 0.3798911058382497
Energy: 0.3710935769381999
Energy: 0.35793950970441435
Energy: 0.37741239330316784
Energy: 0.38648190130611965
Energy: 0.3604131641892992
Energy: 0.3747696274992023
Energy: 0.4112474684720739
Energy: 0.4037836032663106
Energy: 0.354684382767643
Energy: 0.3991562117726712
Energy: 0.38082532205289843
Energy: 0.36157579376257304
Energy: 0.3851935435386879
Energy: 0.40080756739232093
Energy: 0.4199689823391404
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Energy: 0.3620582944282269
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Energy: 0.3885547583619949
Energy: 0.36496050807732916
Energy: 0.4381848554008183
Energy: 0.45736819537903095
Energy: 0.41911312186215555
Energy: 0.3694503065614488
Energy: 0.3643025849460708
Energy: 0.36921383932782287
Energy: 0.3686726135043434
Energy: 0.39524899700999955
Energy: 0.4487556863986342
Energy: 0.39220159164164875
Energy: 0.3813448550079198
Energy: 0.4261658628343247
Energy: 0.47895028392082006
Energy: 0.47324114185534405
Energy: 0.44352677769036675
Energy: 0.4210506171209351
Energy: 0.42816616855696793
Energy: 0.38131411525527353
Energy: 0.40442815002612803
Energy: 0.3930459005689453
Energy: 0.4160063267848915
Energy: 0.3853957846136318
Energy: 0.4002491730786249
Energy: 0.42776987342570444
Energy: 0.3759005927339438
Energy: 0.3969458688173866
Energy: 0.396640432361133
Energy: 0.4143255459261869
Energy: 0.42715254075573195
Energy: 0.45744359868831036
Energy: 0.4098526552157268
Energy: 0.4008042358503771
Energy: 0.3670250856056366
Energy: 0.44024679739048245
Energy: 0.43238472068305844
Energy: 0.4329532227886561
Energy: 0.4464831515494335
Energy: 0.4621604977148079
Energy: 0.40862205885390973
Energy: 0.4019615658304129
Energy: 0.36950759994993915
Energy: 0.37309329485376114
Energy: 0.37470988357044743
Energy: 0.403525722553169
Energy: 0.37294104470381007
Energy: 0.40772957161982226
Energy: 0.3634885104776095
Energy: 0.3621110213106848
Energy: 0.3525269297474633
Energy: 0.36443497831186167
Energy: 0.38507432652397755
Energy: 0.3553636077183138
Energy: 0.36105000896659095
Energy: 0.3624686355317767
Energy: 0.42177999428141805
Energy: 0.3838851571631793
Energy: 0.37674864854011536
Energy: 0.4357890514792946
Energy: 0.4291804517870664
Energy: 0.36565884444303887
Energy: 0.421134388739147
Energy: 0.3607789572126218
Energy: 0.36464253009748593
Energy: 0.35907341473016274
Energy: 0.3789509694196072
Energy: 0.41016783398309453
Energy: 0.3614330799686799
Energy: 0.38692621941180333
Energy: 0.3651562996621342
Energy: 0.4025069093462424
Energy: 0.365161211193778
Energy: 0.383643350655965
Energy: 0.389921933861146
Energy: 0.3647416452911654
Energy: 0.4099017994090403
Energy: 0.4483899480758292
Energy: 0.4149545070424674
Energy: 0.3739247757744478
Energy: 0.4572865181363952
Energy: 0.4034834757458475
Energy: 0.4354849174434991
Energy: 0.37257043877303314
Energy: 0.3755388592183779
Energy: 0.39669609096352215
Energy: 0.39643856352225265
Energy: 0.42907563298056206
Energy: 0.4616553228144865
Energy: 0.4129792006673905
Energy: 0.4436942269378843
Energy: 0.4350239585741483
Energy: 0.35849814943119973
Energy: 0.42116376130553895
Energy: 0.45764242525534815
Energy: 0.4184228994778667
Energy: 0.4027818352380723
Energy: 0.4141720249610923
Energy: 0.4367609000023123
Energy: 0.44199689585368285
Energy: 0.43761936682169356
Energy: 0.41974602567910213
Energy: 0.4278291988221371
Energy: 0.3929326814177421
Energy: 0.39743655621822777
Energy: 0.38582095214119017
Energy: 0.3876709969965708
Energy: 0.4211004573135304
Energy: 0.36475600591115587

minimum gb energy = 0.3525269297474633 eV
minimum distance =  2.71637304303163 Angstroms
sigma value = 113


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

Energy: 0.4398724189261748
Energy: 0.519660747278079
Energy: 0.48664076917550875
Energy: 0.47219591249274784
Energy: 0.47302982557875645
Energy: 0.4838871777734113
Energy: 0.5389598085812505
Energy: 0.48216025126264267
Energy: 0.4934787906994718
Energy: 0.49624762445137605
Energy: 0.4984756747399708
Energy: 0.49174295932868284
Energy: 0.4873994219439952
Energy: 0.4606348394275227
Energy: 0.4493633691890445
Energy: 0.4810619695323128
Energy: 0.4340278772023914
Energy: 0.48548153257542503
Energy: 0.46702383848733964
Energy: 0.4212202837081089
Energy: 0.4906383281592395
Energy: 0.42198055122700046
Energy: 0.5026944613159275
Energy: 0.4654491999499701
Energy: 0.4744668711211647
Energy: 0.47433214896981957
Energy: 0.4704085514035367
Energy: 0.4634026386543662
Energy: 0.4552588471979272
Energy: 0.48467168485437273
Energy: 0.4732343494415831
Energy: 0.4635778954749112
Energy: 0.46510396521995545
Energy: 0.45096661416133993
Energy: 0.4711817544644344
Energy: 0.4310420160870005
Energy: 0.4325963800526662
Energy: 0.3937887891893869
Energy: 0.4172326933473543
Energy: 0.4018695256423878
Energy: 0.4247029909375902
Energy: 0.4356978853709065
Energy: 0.44687268785288387
Energy: 0.4392444859786042
Energy: 0.4271585563737815
Energy: 0.44134546275362324
Energy: 0.4531802252507415
Energy: 0.46930748522713783
Energy: 0.4366024993310145
Energy: 0.394751032228626
Energy: 0.40604270929857567
Energy: 0.4136817870044808
Energy: 0.45936151710163775
Energy: 0.44848179415915435
Energy: 0.42203802854041417
Energy: 0.4023373011622768
Energy: 0.387688451558
Energy: 0.43264711386378457
Energy: 0.45714873658260086
Energy: 0.3901569588221813
Energy: 0.4223010459875905
Energy: 0.41911853263329496
Energy: 0.46647334219475733
Energy: 0.4633808202198802
Energy: 0.4285320181645539
Energy: 0.4197714815784006
Energy: 0.41740927052680116
Energy: 0.4078762248733114
Energy: 0.43241308955334107
Energy: 0.43833844112521564
Energy: 0.444310526179706
Energy: 0.41352168352064295
Energy: 0.40800525225357653
Energy: 0.431115655820405
Energy: 0.4173372280634378
Energy: 0.43722706605307415
Energy: 0.4188267061174687
Energy: 0.38602549796440994
Energy: 0.40185343161640863
Energy: 0.46722193868280615
Energy: 0.4351386421879996
Energy: 0.43752159842806376
Energy: 0.46012210857908187
Energy: 0.446073884245985
Energy: 0.4192176254664904
Energy: 0.4001183789483644
Energy: 0.41146510864089003
Energy: 0.4451790805744659
Energy: 0.4559019751365055
Energy: 0.41433661116321696
Energy: 0.39529874086307626
Energy: 0.4307352421175333
Energy: 0.4476152902429955
Energy: 0.474793310082381
Energy: 0.4019410532845934
Energy: 0.4106903413750594
Energy: 0.4337241434061515
Energy: 0.4323933610226274
Energy: 0.41431981798390716
Energy: 0.46770488900432694
Energy: 0.4188962083983559
Energy: 0.39486275555104505
Energy: 0.3909461762236796
Energy: 0.43339900335711623
Energy: 0.441758151193956
Energy: 0.4250543627982197
Energy: 0.43264389938661435
Energy: 0.43964075661831875
Energy: 0.455523006741545
Energy: 0.45230897451986307
Energy: 0.43476363661468026
Energy: 0.4384725993324625
Energy: 0.40942464985046784
Energy: 0.4690617411173683
Energy: 0.4610257536026211
Energy: 0.4590940896695844
Energy: 0.4560215670678931
Energy: 0.4559499354583237
Energy: 0.4571154610817328
Energy: 0.4472274488825302
Energy: 0.4590885266172559
Energy: 0.45051127500544424
Energy: 0.45063721165215925
Energy: 0.43346039647097523
Energy: 0.48367422553274236
Energy: 0.46193035490396533
Energy: 0.470097687149731
Energy: 0.49360205444007627
Energy: 0.47188388046311236
Energy: 0.5024054262163317
Energy: 0.48554370612193937
Energy: 0.4631505896297582
Energy: 0.5076168065352675
Energy: 0.42596976742157383
Energy: 0.49517970481165924
Energy: 0.4586816339333809
Energy: 0.4624493141191095
Energy: 0.4501359837325063
Energy: 0.4734459615636865
Energy: 0.5016347185921814
Energy: 0.48692485930003193
Energy: 0.46243334890406224
Energy: 0.4405520486591154
Energy: 0.47434554196559575
Energy: 0.44774866194835367
Energy: 0.4351081514943208
Energy: 0.4611549238248565
Energy: 0.46315292346674963
Energy: 0.4599943529486299
Energy: 0.45901783900339543
Energy: 0.4483871534812094
Energy: 0.4687633123346411
Energy: 0.43148776895453206
Energy: 0.4692277127497369
Energy: 0.44134247285428735
Energy: 0.5174062440823928
Energy: 0.46604491123949066
Energy: 0.45890586355291385
Energy: 0.47929130484030485
Energy: 0.4640183450971653
Energy: 0.5159372266318815
Energy: 0.471968158646826
Energy: 0.5078394136895649
Energy: 0.4582616368283745
Energy: 0.48929322531319136
Energy: 0.4848296571646011
Energy: 0.44920259503134
Energy: 0.5119747603073389
Energy: 0.4335995545077348
Energy: 0.4634863000390732
Energy: 0.4596297625648815
Energy: 0.48933449756032155
Energy: 0.4476651706867034
Energy: 0.4821791748043045
Energy: 0.46695446165415777
Energy: 0.41182888504969284
Energy: 0.49042051295107325
Energy: 0.47287163623332573
Energy: 0.45970655785688874
Energy: 0.47601947773054204
Energy: 0.4756406436319531
Energy: 0.518778456636449
Energy: 0.45132175131373725
Energy: 0.46609910206207095
Energy: 0.45927279661304354
Energy: 0.4639298056089607
Energy: 0.4652022227590438
Energy: 0.4605248681841236
Energy: 0.4656123508175951
Energy: 0.4306314688275595
Energy: 0.442712208751549
Energy: 0.44684463136616304
Energy: 0.422466326142786
Energy: 0.4005265055156824
Energy: 0.43501843879837043
Energy: 0.4354747740651792
Energy: 0.4255318676763424
Energy: 0.45020284678884737
Energy: 0.4611340882450949
Energy: 0.44860993865682836
Energy: 0.4389791273363713
Energy: 0.4648915234731853
Energy: 0.48192150697456937
Energy: 0.41922524019963
Energy: 0.40467888892079434
Energy: 0.4170933007320978
Energy: 0.45913361304771083
Energy: 0.46361551968108883
Energy: 0.39586726662953825
Energy: 0.4021237175160438
Energy: 0.39027944448128804
Energy: 0.43519913449886966
Energy: 0.427759291998475
Energy: 0.42254358329038094
Energy: 0.42844760466329784
Energy: 0.4453971111810782
Energy: 0.46421756356702426
Energy: 0.449894271406026
Energy: 0.42676482077489064
Energy: 0.44667692512978197
Energy: 0.4174327783455243
Energy: 0.4026026616815774
Energy: 0.4411333246412847
Energy: 0.4293991227451512
Energy: 0.46611716352044147
Energy: 0.418204963736515
Energy: 0.41603611374678495
Energy: 0.4317124977491599
Energy: 0.39699828843865087
Energy: 0.4354618362570694
Energy: 0.42356270016654307
Energy: 0.39907177225326784
Energy: 0.42482231239324403
Energy: 0.461769057585977
Energy: 0.43444589044333726
Energy: 0.43289226007979476
Energy: 0.424088830227194
Energy: 0.4478144553547643
Energy: 0.4295870456391596
Energy: 0.3976809002139919
Energy: 0.4219378969772755
Energy: 0.4448085378097936
Energy: 0.4453601778116644
Energy: 0.4033589643895306
Energy: 0.3944996652414582
Energy: 0.4504502449784257
Energy: 0.4380028132392874
Energy: 0.453480960667721
Energy: 0.4415284601871642
Energy: 0.42059609721251495
Energy: 0.43470468106612814
Energy: 0.4648103485819244
Energy: 0.4111273921270433
Energy: 0.4278139918075426
Energy: 0.39369438304325266
Energy: 0.392664973137602
Energy: 0.38967057700052554
Energy: 0.41159942010881045
Energy: 0.43457729681155954
Energy: 0.4391850948194424
Energy: 0.43469838526069227
Energy: 0.4422362309610132
Energy: 0.45616128836257014
Energy: 0.453444844884412
Energy: 0.4417199282632074
Energy: 0.4378946399157564
Energy: 0.4284880532485574
Energy: 0.4870884196806635
Energy: 0.45881891642465555
Energy: 0.4584481260740577
Energy: 0.45321185013706594
Energy: 0.4469569994478009
Energy: 0.4841391605176414
Energy: 0.416750672854496
Energy: 0.4482808463538412
Energy: 0.44322339961411156
Energy: 0.44929386178749614
Energy: 0.45728425243433113
Energy: 0.46847332681947834
Energy: 0.46215597046096263
Energy: 0.46978309162167
Energy: 0.488485793062172
Energy: 0.4776157712507897
Energy: 0.49076369296603034
Energy: 0.4912849942522047
Energy: 0.4685724397490695
Energy: 0.46334307756464066
Energy: 0.44870972100477036
Energy: 0.46681085721206916
Energy: 0.44095633143956425
Energy: 0.46033734878283905
Energy: 0.4492043579274626
Energy: 0.47558293261845497
Energy: 0.5181446728444631
Energy: 0.3969494745655958
Energy: 0.48197728253428773
Energy: 0.4409905704107236
Energy: 0.45794737944315833
Energy: 0.4609402530763319
Energy: 0.44765148731442644
Energy: 0.4824140974529559
Energy: 0.39956206754764123
Energy: 0.4440713818893026
Energy: 0.4582224182668564
Energy: 0.46938203792817157
Energy: 0.4595370489197155
Energy: 0.43559602612653386
Energy: 0.48205305449112873
Energy: 0.43486963547119306
Energy: 0.4819556160672884
Energy: 0.48882553148195784
Energy: 0.4694385205465406
Energy: 0.4723976275469085
Energy: 0.4813080755958271
Energy: 0.5321394169811083

minimum gb energy = 0.38602549796440994 eV
minimum distance =  2.65336236170131 Angstroms
sigma value = 365


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

Energy: 0.4343994055118129
Energy: 0.4591990609020513
Energy: 0.3915232241275122
Energy: 0.3939939020302798
Energy: 0.39477008888439086
Energy: 0.39096162412077334
Energy: 0.39145576440929264
Energy: 0.4309430158349277
Energy: 0.44357390780504813
Energy: 0.3763707846885453
Energy: 0.3909362439743082
Energy: 0.38699849295099137
Energy: 0.37723596164132495
Energy: 0.4436652502092695
Energy: 0.4304571306974046
Energy: 0.4638951989502919
Energy: 0.37884020649319305
Energy: 0.39099916797335027
Energy: 0.39149386524321833
Energy: 0.38789336763809174
Energy: 0.38824723237784875
Energy: 0.43079404390578496
Energy: 0.46868438927966544
Energy: 0.3878359599075898
Energy: 0.39360834022519686
Energy: 0.394167818047307
Energy: 0.38779732810336326
Energy: 0.39323977253019626
Energy: 0.4306098370778142
Energy: 0.4434148208913316
Energy: 0.35604873059992037
Energy: 0.44548433092527256
Energy: 0.3868992836131115
Energy: 0.3575087705168715
Energy: 0.4437855238283047
Energy: 0.4349552038060922
Energy: 0.4704934094066863
Energy: 0.39153652060420663
Energy: 0.394076493273649
Energy: 0.39478092391130726
Energy: 0.3913920212888853
Energy: 0.3916644394725764
Energy: 0.43045904708093435
Energy: 0.4599743309992644
Energy: 0.37646250077154114
Energy: 0.39021445331557264
Energy: 0.39076605021444083
Energy: 0.3763646372878188
Energy: 0.44488728026629787
Energy: 0.43047659019622697
Energy: 0.4610025276580988
Energy: 0.3766152620496366
Energy: 0.39030981509953233
Energy: 0.3911422016426482
Energy: 0.3770026659848768
Energy: 0.44716847053221154
Energy: 0.43550616022337596
Energy: 0.47028175393936344
Energy: 0.3909234093459225
Energy: 0.39469258602364654
Energy: 0.39257363274098134
Energy: 0.39170923008741815
Energy: 0.3922571291023669
Energy: 0.4426396253944204
Energy: 0.44369071802813337
Energy: 0.3828672946879231
Energy: 0.4447762870813012
Energy: 0.48776606850378007
Energy: 0.3807690125385182
Energy: 0.44305217519349593
Energy: 0.4315025146133182
Energy: 0.47015923029967427
Energy: 0.3907056797315495
Energy: 0.39565721976079116
Energy: 0.3963479986314474
Energy: 0.39113955907325404
Energy: 0.39282821261878587
Energy: 0.4305055696123709
Energy: 0.4618059572409566
Energy: 0.37701353310749824
Energy: 0.3904135147331014
Energy: 0.3912633998489815
Energy: 0.3882814261124963
Energy: 0.46151991553878957
Energy: 0.43061528746813965
Energy: 0.44503984291783477
Energy: 0.37631433710015444
Energy: 0.39017523300970963
Energy: 0.3913349179796882
Energy: 0.37639878970203977
Energy: 0.44442160112252327
Energy: 0.43475053421824145
Energy: 0.46934874733261384
Energy: 0.3911680422047822
Energy: 0.3939510014084648
Energy: 0.39493298764126455
Energy: 0.3912400705562482
Energy: 0.3915154103468029
Energy: 0.42981842758170175
Energy: 0.44305051128959266
Energy: 0.3575136694431148
Energy: 0.39086958274227906
Energy: 0.38696868804544904
Energy: 0.37737844822873207
Energy: 0.4435837375157675
Energy: 0.4306878166747656
Energy: 0.46754375473315485
Energy: 0.387829322820806
Energy: 0.3923491827295865
Energy: 0.3886970969502248
Energy: 0.3875734175733708
Energy: 0.39085970653708946
Energy: 0.4304979687824592
Energy: 0.46573553975352805
Energy: 0.3879809468263603
Energy: 0.3915906358231073
Energy: 0.39100023379571824
Energy: 0.3877148910541441
Energy: 0.38931866405782173
Energy: 0.42954076510843536
Energy: 0.44352118075723646
Energy: 0.3772450572186391
Energy: 0.3904235707969032
Energy: 0.3882460015150275
Energy: 0.3763952590172788
Energy: 0.44362457698328694
Energy: 0.43495521112529106
Energy: 0.4620379862104355
Energy: 0.39127200995182465
Energy: 0.3940664119156592
Energy: 0.39487172942732174
Energy: 0.39145682226843415
Energy: 0.3914848781121218
Energy: 0.430749596043209
Energy: 0.4441659131330108
Energy: 0.3765012518310501
Energy: 0.39063327708484813
Energy: 0.3900119476576203
Energy: 0.3762138433281659
Energy: 0.44437592263413184

minimum gb energy = 0.35604873059992037 eV
minimum distance =  2.73544440672488 Angstroms
sigma value = 23