Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 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=90.0
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: 0.010361928644883235
Energy: 0.010861851096715665
Energy: 0.36269798463568376
Energy: 0.010861851096715665
Energy: 0.010861851097188319
Energy: 0.084444251340179
Energy: 0.010861851097188319
Energy: 0.084444251340179
Energy: 0.36269798463615643
Energy: 0.010861851096715665
Energy: 0.010361928644883235
Energy: 0.010861851097188319
Energy: 0.010861851097188319
Energy: 0.084444251340179
Energy: 0.010861851097188319
Energy: 0.084444251340179

minimum gb energy = 0.010361928644883235 eV
minimum distance =  2.6568722630096 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.41013378832958824
Energy: 0.3700593983063764
Energy: 0.4833928649242794
Energy: 0.3700593983063764
Energy: 0.40978283606584703
Energy: 0.3776423337202209
Energy: 0.40436261327029843
Energy: 0.3776423337202209
Energy: 0.4036764126712449
Energy: 0.375285817598267
Energy: 0.39311696845907934
Energy: 0.37528581759766005
Energy: 0.3934798593674154
Energy: 0.40361708698239185
Energy: 0.41055489780778587
Energy: 0.40361708698239185
Energy: 0.3920835461434883
Energy: 0.3812923387303731
Energy: 0.4317095774784469
Energy: 0.3812923387297661
Energy: 0.4145207207699343
Energy: 0.4091707456659371
Energy: 0.39013462091791967
Energy: 0.4091707456653301
Energy: 0.4402518230947847
Energy: 0.3937015484093749
Energy: 0.4155750567640599
Energy: 0.3937015484093749
Energy: 0.4201142812982143
Energy: 0.38605231169774007
Energy: 0.3823970856921231
Energy: 0.38605231169774007
Energy: 0.40470240977141664
Energy: 0.46062453070962683
Energy: 0.4189480004835184
Energy: 0.4606245307108407
Energy: 0.38110130620950977
Energy: 0.35610800608965254
Energy: 0.41814855298200465
Energy: 0.35610800608965254
Energy: 0.4275540432974231
Energy: 0.3769060675544105
Energy: 0.40439668898624803
Energy: 0.3769060675544105
Energy: 0.3777594214242833
Energy: 0.3759017538132215
Energy: 0.38988078334288545
Energy: 0.3759017538132215
Energy: 0.4041982672828148
Energy: 0.37969064637836253
Energy: 0.4348767931584247
Energy: 0.37969064637836253
Energy: 0.39499346183783557
Energy: 0.3812021266808562
Energy: 0.39126338024286145
Energy: 0.3812021266802492
Energy: 0.40197873601450884
Energy: 0.4022383809655796
Energy: 0.4304670645656964
Energy: 0.4022383809655796
Energy: 0.4008694573964512
Energy: 0.40043678280759454
Energy: 0.41917598326187194
Energy: 0.40043678280759454
Energy: 0.3929428171538792
Energy: 0.3754271634737692
Energy: 0.410930381501605
Energy: 0.3754271634737692
Energy: 0.4041952530032662
Energy: 0.37865779564408547
Energy: 0.4327411988733902
Energy: 0.37865779564408547
Energy: 0.4157586424263054
Energy: 0.3752243804052804
Energy: 0.39320074677160666
Energy: 0.3752243804052804
Energy: 0.4291490687427205
Energy: 0.45205174582207597
Energy: 0.4049305115452897
Energy: 0.45205174582207597
Energy: 0.3816765937297244
Energy: 0.36327811553399475
Energy: 0.42109847708276116
Energy: 0.36327811553460176
Energy: 0.41059823257575556
Energy: 0.42545815163116335
Energy: 0.41846379009083257
Energy: 0.42545815163116335
Energy: 0.40792427493896233
Energy: 0.383524526736655
Energy: 0.40589778356066547
Energy: 0.383524526736655
Energy: 0.4141923936376896
Energy: 0.38240555472982024
Energy: 0.41442905898854443
Energy: 0.38240555472982024
Energy: 0.4155949071865452
Energy: 0.4163082744038844
Energy: 0.4219122069632272
Energy: 0.4163082744038844
Energy: 0.3871215045115724
Energy: 0.38762046551131296
Energy: 0.4121437886582868
Energy: 0.38762046551131296
Energy: 0.40411963399269035
Energy: 0.40430527968299085
Energy: 0.4047634398580454
Energy: 0.40430527968299085
Energy: 0.4719108802176724
Energy: 0.35954193303971854
Energy: 0.39233607420591177
Energy: 0.35954193303971854
Energy: 0.40992321827505035
Energy: 0.37728289486654853
Energy: 0.40760998124137904
Energy: 0.37728289486654853
Energy: 0.4073511402707706
Energy: 0.37742792059484154
Energy: 0.37906016719270313
Energy: 0.3774279205954485
Energy: 0.41085955278634595
Energy: 0.3888286935379801
Energy: 0.4041217271629519
Energy: 0.3888286935379801
Energy: 0.3948660073072307
Energy: 0.3859878547618214
Energy: 0.3949798164673796
Energy: 0.3859878547618214
Energy: 0.3920245929629125
Energy: 0.4002709192761379
Energy: 0.4112902754043133
Energy: 0.40027091927553093

minimum gb energy = 0.35610800608965254 eV
minimum distance =  2.49326497463719 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.41856058379301814
Energy: 0.38787740632838
Energy: 0.49983084788690074
Energy: 0.387877406329072
Energy: 0.4096163417597596
Energy: 0.3972672927224841
Energy: 0.4156349964791342
Energy: 0.3972672927217921
Energy: 0.42174953004685417
Energy: 0.4045228568484835
Energy: 0.4038430706032383
Energy: 0.40452285684917555
Energy: 0.4022960551468743
Energy: 0.42305282925977167
Energy: 0.4314872842756628
Energy: 0.4230528292604637
Energy: 0.40234659383079885
Energy: 0.39010966789595675
Energy: 0.4313664821322858
Energy: 0.39010966789595675
Energy: 0.3948213854909186
Energy: 0.3822572256705731
Energy: 0.4098808925229153
Energy: 0.3822572256712651
Energy: 0.4312866697525937
Energy: 0.4341697965078656
Energy: 0.41363669067188374
Energy: 0.43416979650855764
Energy: 0.42169647332355237
Energy: 0.4044374997896984
Energy: 0.3983307969531549
Energy: 0.4044374997896984
Energy: 0.4091726404131091
Energy: 0.47301110947949415
Energy: 0.43619462331374437
Energy: 0.47301110946080943
Energy: 0.3934134476190041
Energy: 0.39686836433324396
Energy: 0.4981774628225738
Energy: 0.39686836433255196
Energy: 0.415474199160934
Energy: 0.40006300524930916
Energy: 0.422566488605962
Energy: 0.4000630052500012
Energy: 0.41553962868744465
Energy: 0.39367997621023665
Energy: 0.4039361444455929
Energy: 0.39367997621023665
Energy: 0.42060047595970246
Energy: 0.4134100386761955
Energy: 0.39836451766152464
Energy: 0.4134100386761955
Energy: 0.42058097881673295
Energy: 0.4134091722519373
Energy: 0.4025650095147225
Energy: 0.41340917225262935
Energy: 0.4155557818759144
Energy: 0.39365242316548005
Energy: 0.4085531610364109
Energy: 0.39365242316548005
Energy: 0.41568373037984496
Energy: 0.39998229128684787
Energy: 0.41358543227462036
Energy: 0.39998229128684787
Energy: 0.39345162184040305
Energy: 0.39688997746059557
Energy: 0.41883269963270586
Energy: 0.3968899774585195
Energy: 0.40917175041018
Energy: 0.4734610570334989
Energy: 0.43586191971054977
Energy: 0.47346105703419095
Energy: 0.4216263482599723
Energy: 0.4047310485208364
Energy: 0.386533801996852
Energy: 0.4047310485229125
Energy: 0.43151728330305095
Energy: 0.43418828944157534
Energy: 0.4195967660157275
Energy: 0.43418828944157534
Energy: 0.3950022975475762
Energy: 0.3822418624990327
Energy: 0.3914533203724746
Energy: 0.38224186249834063
Energy: 0.40225148143584205
Energy: 0.3900613647912424
Energy: 0.416186206542006
Energy: 0.3900613647912424
Energy: 0.40234912353324814
Energy: 0.4230093411795964
Energy: 0.41373583827457766
Energy: 0.4230093411795964
Energy: 0.42168301679092435
Energy: 0.40457988413350204
Energy: 0.41153802273950485
Energy: 0.40457988413281
Energy: 0.40961699906616184
Energy: 0.3972657614098533
Energy: 0.41555821422379546
Energy: 0.39726576140846925
Energy: 0.41856058379301814
Energy: 0.387877406329072
Energy: 0.49234982301925634
Energy: 0.38787740632838
Energy: 0.4096163417604516
Energy: 0.3972672927224841
Energy: 0.4156349964791342
Energy: 0.3972672927217921
Energy: 0.4217495300475462
Energy: 0.4045228568484835
Energy: 0.4038430706032383
Energy: 0.4045228568484835
Energy: 0.4022960551461823
Energy: 0.42305282925977167
Energy: 0.4194216473965981
Energy: 0.4230528292604637

minimum gb energy = 0.38224186249834063 eV
minimum distance =  2.48383718776497 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.4289810225027022
Energy: 0.3945434823594427
Energy: 0.5430391123582267
Energy: 0.3945434823594427
Energy: 0.42574516031507204
Energy: 0.4217273989556117
Energy: 0.4056357079188065
Energy: 0.4217273989556117
Energy: 0.42337195576147124
Energy: 0.42636165354013006
Energy: 0.39983849409749794
Energy: 0.42636165353932554
Energy: 0.4050281630155476
Energy: 0.43260060374508486
Energy: 0.43381469009900975
Energy: 0.43260060374508486
Energy: 0.4379131298812584
Energy: 0.40186012363728607
Energy: 0.4476228413834123
Energy: 0.40186012363728607
Energy: 0.51068435883888
Energy: 0.42554218817672673
Energy: 0.4424673874055946
Energy: 0.42554218817753114
Energy: 0.4358232252283503
Energy: 0.4660796734513887
Energy: 0.44916460969491
Energy: 0.4660796735913107
Energy: 0.38530956187895965
Energy: 0.3873412032597399
Energy: 0.42904512950575713
Energy: 0.3873412032597399
Energy: 0.44883783174392333
Energy: 0.4090842904412084
Energy: 0.4236417824945596
Energy: 0.409084290440404
Energy: 0.3991311470236327
Energy: 0.42414412869572604
Energy: 0.4195352849459727
Energy: 0.42414412869572604
Energy: 0.40953614890484463
Energy: 0.41633120969328735
Energy: 0.4376961996155012
Energy: 0.4163312096940919
Energy: 0.4357734224732613
Energy: 0.4100397275640348
Energy: 0.4337214203595872
Energy: 0.4100397275640348
Energy: 0.40001932833282594
Energy: 0.4230822035792541
Energy: 0.41960373577992643
Energy: 0.42308220357844956
Energy: 0.44997607802308137
Energy: 0.42863281535500475
Energy: 0.4173044660731149
Energy: 0.42863281535500475
Energy: 0.42238414582516676
Energy: 0.3823191198485569
Energy: 0.4279829983086482
Energy: 0.3823191198485569
Energy: 0.43089402883598177
Energy: 0.47534703042552723
Energy: 0.42977907048253833
Energy: 0.47534703138561923
Energy: 0.4254543656166811
Energy: 0.4279023276190146
Energy: 0.42179382665492615
Energy: 0.4279023276190146
Energy: 0.43685989742547277
Energy: 0.41182670061139204
Energy: 0.4089889486991338
Energy: 0.41182670061139204
Energy: 0.3922785497273706
Energy: 0.4235192466115968
Energy: 0.4323291173397202
Energy: 0.4235192466115968
Energy: 0.4181185203950487
Energy: 0.4245883332417089
Energy: 0.4107617633017188
Energy: 0.4245883332417089
Energy: 0.4190664551028833
Energy: 0.4151466640630507
Energy: 0.4034097208042523
Energy: 0.4151466640630507
Energy: 0.4232152758386577
Energy: 0.3879469561054698
Energy: 0.3903025442072733
Energy: 0.38794695610466534
Energy: 0.42656643883804585
Energy: 0.41584761807598725
Energy: 0.4154542388839278
Energy: 0.41584761807598725
Energy: 0.5109318830226527
Energy: 0.41437898997190664
Energy: 0.3991303228109862
Energy: 0.41437898997190664
Energy: 0.4265828101185712
Energy: 0.49943083294489726
Energy: 0.429052020468557
Energy: 0.49943083294489726

minimum gb energy = 0.3823191198485569 eV
minimum distance =  2.50004115494285 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.42021275206268727
Energy: 0.43336658093255503
Energy: 0.5965963956535874
Energy: 0.43336658093255503
Energy: 0.4430704095435232
Energy: 0.4187467385884592
Energy: 0.4042712222266503
Energy: 0.4187467385884592
Energy: 0.42557013605934385
Energy: 0.4125521771153177
Energy: 0.3974577325449323
Energy: 0.4125521771153177
Energy: 0.42196863328632833
Energy: 0.4528854192590148
Energy: 0.4432476682784554
Energy: 0.4528854192580552
Energy: 0.4122349243142065
Energy: 0.39860826435342095
Energy: 0.4563679789304901
Energy: 0.3986082643524612
Energy: 0.42262984491729716
Energy: 0.42018505858685756
Energy: 0.5353503600995033
Energy: 0.42018505858781724
Energy: 0.40716002158554015
Energy: 0.4774481011235594
Energy: 0.4430593965199985
Energy: 0.47744810106216246
Energy: 0.5270798508481254
Energy: 0.40006750330074753
Energy: 0.4282019579213091
Energy: 0.40006750329978785
Energy: 0.4121738598327557
Energy: 0.4185944074932047
Energy: 0.38912465261493046
Energy: 0.4185944074932047
Energy: 0.41198431361825816
Energy: 0.41743593614763314
Energy: 0.45055416036067003
Energy: 0.41743593614763314
Energy: 0.4272725575115005
Energy: 0.39096934437776143
Energy: 0.4100034016935538
Energy: 0.3909693443768018
Energy: 0.3976990897078281
Energy: 0.41675744260381176
Energy: 0.44333665767021063
Energy: 0.41675744260474956
Energy: 0.41194440414162414
Energy: 0.42148725049861174
Energy: 0.3990762656993479
Energy: 0.42148725049957136
Energy: 0.4790773315728308
Energy: 0.4840376213673308
Energy: 0.3748689841790005
Energy: 0.48403762136637113
Energy: 0.41196914054683353
Energy: 0.42129367561991793
Energy: 0.5180235528851789
Energy: 0.42129367561991793
Energy: 0.39763667003282593
Energy: 0.4174269797128149
Energy: 0.44337752198123415
Energy: 0.4174269797118553
Energy: 0.4272668998917743
Energy: 0.39096963377539873
Energy: 0.3974963900365531
Energy: 0.39096963377539873
Energy: 0.4120949143285251
Energy: 0.4173176900642444
Energy: 0.4506608702795908
Energy: 0.4173176900642444
Energy: 0.41227264555846926
Energy: 0.41849521466312584
Energy: 0.38922757003703945
Energy: 0.41849521466408546
Energy: 0.5268910709598361
Energy: 0.399463699698729
Energy: 0.4281663317802108
Energy: 0.399463699698729
Energy: 0.4071172158726671
Energy: 0.47719694789262074
Energy: 0.44308259478017314
Energy: 0.47719694789166106

minimum gb energy = 0.3748689841790005 eV
minimum distance =  2.51894829548639 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.4153840280151894
Energy: 0.42387943785683413
Energy: 0.44093217299059234
Energy: 0.42387943785683413
Energy: 0.3994964159408709
Energy: 0.4456293999551522
Energy: 0.38926771263360993
Energy: 0.4456293999551522
Energy: 0.4044802361060775
Energy: 0.44956686348314795
Energy: 0.3895918239840747
Energy: 0.4495668634843347
Energy: 0.42502224182598586
Energy: 0.43675205705733056
Energy: 0.5448467363671325
Energy: 0.43675205705733056
Energy: 0.4261346399538164
Energy: 0.48088030143680743
Energy: 0.48272326945749955
Energy: 0.48088030143680743
Energy: 0.39141314926489784
Energy: 0.4477220482987086
Energy: 0.5441513713812969
Energy: 0.4477220482987086
Energy: 0.44142054638613837
Energy: 0.4386223422243801
Energy: 0.4033542900002843
Energy: 0.4386223422243801
Energy: 0.4125301313250858
Energy: 0.42557379147643465
Energy: 0.4178772220007411
Energy: 0.42557379147643465
Energy: 0.39030320968066373
Energy: 0.4471769098962619
Energy: 0.40028734366369273
Energy: 0.4471769098962619
Energy: 0.5734104151315689
Energy: 0.4663814887295331
Energy: 0.40345327327613123
Energy: 0.4663814887295331
Energy: 0.4015767369799832
Energy: 0.41496514794753847
Energy: 0.41103560251854615
Energy: 0.41496514794753847
Energy: 0.4036668123728223
Energy: 0.5470102372786163
Energy: 0.42487421271847375
Energy: 0.5470102373153807
Energy: 0.5209142850438258
Energy: 0.43088443342580107
Energy: 0.3888158503118704
Energy: 0.43088443342580107
Energy: 0.4273931062013144
Energy: 0.44181347976476365
Energy: 0.4250329961119279
Energy: 0.44181347976476365
Energy: 0.4365835902268834
Energy: 0.42042963056443394
Energy: 0.41119147622125773
Energy: 0.42042963056443394
Energy: 0.42233719839068046
Energy: 0.46635038760818553
Energy: 0.39159191425196826
Energy: 0.46635038760818553
Energy: 0.4029107635682325
Energy: 0.4088536447927056
Energy: 0.4450307215706468
Energy: 0.4088536447938924

minimum gb energy = 0.3888158503118704 eV
minimum distance =  2.47923535356224 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.43055688660387026
Energy: 0.48105208480084144
Energy: 0.5614221163901612
Energy: 0.48105208480016926
Energy: 0.3949525157123958
Energy: 0.49325457380011395
Energy: 0.4179690450989719
Energy: 0.49325457380011395
Energy: 0.40648105415215285
Energy: 0.47227798107915253
Energy: 0.3907582880872442
Energy: 0.47227798107915253
Energy: 0.4243301920784894
Energy: 0.4531185301330983
Energy: 0.4722164708727814
Energy: 0.4531185301330983
Energy: 0.4219449670670389
Energy: 0.5090434460479639
Energy: 0.445056366400109
Energy: 0.5090434460479639
Energy: 0.39762061328726556
Energy: 0.4434055666194459
Energy: 0.5345086797875739
Energy: 0.4434055666187738
Energy: 0.41494058501628683
Energy: 0.4631203310412497
Energy: 0.42554804843910604
Energy: 0.46312033104057754
Energy: 0.4083467511489067
Energy: 0.4646625466353962
Energy: 0.40159234054682563
Energy: 0.4646625466360683
Energy: 0.43459806053571853
Energy: 0.47529715589132815
Energy: 0.5506026175796047
Energy: 0.47529715589200033
Energy: 0.5111757057411807
Energy: 0.5413004470769855
Energy: 0.41702057482307303
Energy: 0.5413004470783298
Energy: 0.38853566547605256
Energy: 0.4767481068146761
Energy: 0.5462439049755032
Energy: 0.4767481068146761
Energy: 0.42708984909219694
Energy: 0.4580763944495673
Energy: 0.4262053473406175
Energy: 0.4580763944495673
Energy: 0.47975060614178167
Energy: 0.47447554136212816
Energy: 0.4275956570465215
Energy: 0.47447554136212816
Energy: 0.39009704006824236
Energy: 0.4816741659103802
Energy: 0.4613316035045652
Energy: 0.4816741659097081
Energy: 0.48347678539608596
Energy: 0.45827257344963707
Energy: 0.42589497689838524
Energy: 0.458272573448965
Energy: 0.445089914675582
Energy: 0.4463474452928267
Energy: 0.38680224442726624
Energy: 0.4463474452928267
Energy: 0.42601667150538314
Energy: 0.44742733048935907
Energy: 0.4157427696083032
Energy: 0.44742733048935907
Energy: 0.5057605169755673
Energy: 0.4739414684247601
Energy: 0.39757790348860955
Energy: 0.4739414684247601
Energy: 0.4355326002555584
Energy: 0.44268416109075254
Energy: 0.4669919960513049
Energy: 0.44268416109142467
Energy: 0.43494590676394834
Energy: 0.4740862528242039
Energy: 0.4164178690390407
Energy: 0.47408625282353173
Energy: 0.44179310314152037
Energy: 0.44782831700004355
Energy: 0.3884109238602023
Energy: 0.4478283170007157
Energy: 0.4172279512305759
Energy: 0.5545887479514542
Energy: 0.4152993067190106
Energy: 0.5545887479521263
Energy: 0.532873454646715
Energy: 0.48860289608481494
Energy: 0.385663677610948
Energy: 0.4886028960841428
Energy: 0.44321020076025675
Energy: 0.4630325417742288
Energy: 0.40542475454279864
Energy: 0.4630325417742288
Energy: 0.44232913645450567
Energy: 0.4748298046683903
Energy: 0.4063877470525681
Energy: 0.4748298046677182
Energy: 0.5452928219975621
Energy: 0.4577906280356834
Energy: 0.3865066338946453
Energy: 0.4577906280356834
Energy: 0.4613811664690013
Energy: 0.5033586739230357
Energy: 0.4436536171584608
Energy: 0.5033586739230357
Energy: 0.4416998217773129
Energy: 0.444442423116325
Energy: 0.4418712681692134
Energy: 0.444442423116325
Energy: 0.5063837797922365
Energy: 0.48930273031827964
Energy: 0.4149610026954544
Energy: 0.48930273031827964
Energy: 0.41476220296752764
Energy: 0.4340215682396621
Energy: 0.4466459712629582
Energy: 0.43402156823898996

minimum gb energy = 0.385663677610948 eV
minimum distance =  2.41420020399563 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.32779252519565905
Energy: 0.4924776996997115
Energy: 1.3150441660629568
Energy: 0.4924776996997115
Energy: 0.3795573415937425
Energy: 0.44695300974463087
Energy: 0.4024477375477886
Energy: 0.44695300974463087
Energy: 0.3645564682888524
Energy: 0.421939589296649
Energy: 0.406971693638668
Energy: 0.421939589296649
Energy: 0.3650736757547305
Energy: 0.4184787954878413
Energy: 0.40207082339722
Energy: 0.4184787954878413
Energy: 0.37967322770190937
Energy: 0.449196726896548
Energy: 0.3717049757420658
Energy: 0.449196726896548
Energy: 0.32779252519565905
Energy: 0.4924776996997115
Energy: 0.5040011000275768
Energy: 0.4924776996997115
Energy: 0.3795573415937425
Energy: 0.44695300974463087
Energy: 0.3573826912122512
Energy: 0.44695300974463087
Energy: 0.36455646828730504
Energy: 0.421939589296649
Energy: 0.4600466968111006
Energy: 0.421939589296649
Energy: 0.36507367575318306
Energy: 0.4184787954878413
Energy: 0.35753692236391
Energy: 0.4184787954878413
Energy: 0.37967322770190937
Energy: 0.449196726896548
Energy: 0.43366579427856566
Energy: 0.4491967268980954
Energy: 0.32779252519565905
Energy: 0.4924776996997115
Energy: 0.5040011000275768
Energy: 0.4924776996997115
Energy: 0.37955734159219506
Energy: 0.44695300974463087
Energy: 0.3573826912122512
Energy: 0.44695300974463087
Energy: 0.3645564682888524
Energy: 0.421939589296649
Energy: 0.4600466968111006
Energy: 0.421939589296649

minimum gb energy = 0.32779252519565905 eV
minimum distance =  2.47930532959676 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.38986105189657116
Energy: 0.5485481134779444
Energy: 0.6275168255703211
Energy: 0.5485481134779444
Energy: 0.47346288838248135
Energy: 0.42066386640986103
Energy: 0.401674025016359
Energy: 0.42066386641043374
Energy: 0.4572841249740494
Energy: 0.45961948467932806
Energy: 0.4215810117420948
Energy: 0.4596194846799008
Energy: 0.5163200851184926
Energy: 0.4622398100167855
Energy: 0.42179568860118366
Energy: 0.4622398100167855
Energy: 0.4307191451816095
Energy: 0.49287172295560383
Energy: 0.40613136192967303
Energy: 0.49287172295560383
Energy: 0.37965481031586984
Energy: 0.47579596218073944
Energy: 0.6078282562524959
Energy: 0.47579596218016673
Energy: 0.5188728227555369
Energy: 0.5352710571613576
Energy: 0.41693260968017976
Energy: 0.5352710571613576
Energy: 0.3984768428754309
Energy: 0.45283966627012734
Energy: 0.45880403566394806
Energy: 0.45283966627070005
Energy: 0.4651917980510406
Energy: 0.4636355820222937
Energy: 0.3963365614932359
Energy: 0.463635582021721
Energy: 0.3941460454582742
Energy: 0.41719453314002836
Energy: 0.40286948621444496
Energy: 0.4171945331406011
Energy: 0.40403327803770384
Energy: 0.4621519231951722
Energy: 0.5289516826500992
Energy: 0.4621519231951722
Energy: 0.4667032583864056
Energy: 0.5239876800137473
Energy: 0.4092267725792986
Energy: 0.5239876800137473
Energy: 0.3988546375426223
Energy: 0.496603438526588
Energy: 0.49715838400897905
Energy: 0.4966034385254426
Energy: 0.512427590267679
Energy: 0.4941570727045576
Energy: 0.4085394942484829
Energy: 0.4941570727045576
Energy: 0.39169465769725936
Energy: 0.4494381209925855
Energy: 0.4442151640568114
Energy: 0.4494381209925855
Energy: 0.4014478452778885
Energy: 0.45164937569240726
Energy: 0.4364763280460575
Energy: 0.4516493756906891
Energy: 0.4327351668664475
Energy: 0.5016412170056601
Energy: 0.39184712670037813
Energy: 0.5016412170050873
Energy: 0.4188691578167817
Energy: 0.47677141292276354
Energy: 0.49967062169816207
Energy: 0.47677141292219083
Energy: 0.5923147134454353
Energy: 0.42702653366315774
Energy: 0.38110157969775227
Energy: 0.4270265336620123
Energy: 0.39953863308279125
Energy: 0.47696810061898853
Energy: 0.42435258781054125
Energy: 0.4769681006195612
Energy: 0.456882698933927
Energy: 0.4539529218446346
Energy: 0.40991762281513355
Energy: 0.45395292184406194
Energy: 0.4406157348521729
Energy: 0.42794964407905006
Energy: 0.4128950299476355
Energy: 0.42794964407962277
Energy: 0.3998886941330476
Energy: 0.4279715161852068
Energy: 0.45441388014344775
Energy: 0.4279715161857795
Energy: 0.5333174257302141
Energy: 0.44037038303653464
Energy: 0.4027264862319242
Energy: 0.44037038303710735
Energy: 0.40121732647604896
Energy: 0.523304935422398
Energy: 0.49445951213907613
Energy: 0.523304935422398
Energy: 0.44865913742252556
Energy: 0.45904592008216133
Energy: 0.4132328337761402
Energy: 0.45904592008216133
Energy: 0.4387670780047025
Energy: 0.4493821032803895
Energy: 0.4084411316056713
Energy: 0.4493821032803895
Energy: 0.41148499954853895
Energy: 0.4342314898887913
Energy: 0.5150402375741027
Energy: 0.4342314898876458
Energy: 0.449063858013247
Energy: 0.38552794733953777
Energy: 0.4130145153941129
Energy: 0.38552794893101144
Energy: 0.3997205372893534
Energy: 0.5467302909297398
Energy: 0.5089448732649573
Energy: 0.5467302909297398
Energy: 0.5926389352733926
Energy: 0.44898733227686466
Energy: 0.41772477536679753
Energy: 0.44898733227686466
Energy: 0.4018530435929288
Energy: 0.49272101464050344
Energy: 0.45507196008185463
Energy: 0.49272101463993073
Energy: 0.40415988133676944
Energy: 0.43385106572957227
Energy: 0.41439383497738713
Energy: 0.4338510657307177
Energy: 0.45829332984114995
Energy: 0.4525675151996407
Energy: 0.4419394504610772
Energy: 0.4525675151996407
Energy: 0.40028373443826554
Energy: 0.4787247261103836
Energy: 0.5195671045297061
Energy: 0.4787247261143926

minimum gb energy = 0.37965481031586984 eV
minimum distance =  2.44062096262784 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.41445400295935564
Energy: 0.4089651635591186
Energy: 0.6773505445724084
Energy: 0.4089651634719271
Energy: 0.48021918500487737
Energy: 0.46301110937851303
Energy: 0.39469642089826423
Energy: 0.46301110937851303
Energy: 0.4925598075409519
Energy: 0.48312104691990293
Energy: 0.4013153706226585
Energy: 0.48312104691990293
Energy: 0.3950317465540838
Energy: 0.447179680690071
Energy: 0.4085112542963869
Energy: 0.447179680690071
Energy: 0.40882231888049536
Energy: 0.44264174524332195
Energy: 0.4010028450335876
Energy: 0.44264174524332195
Energy: 0.41488625580601624
Energy: 0.45843453970021064
Energy: 0.49032083098225443
Energy: 0.45843453970111925
Energy: 0.5022125405035808
Energy: 0.4746066854999163
Energy: 0.42482542597537176
Energy: 0.4746066854999163
Energy: 0.3990585835117033
Energy: 0.4468369147660488
Energy: 0.5156959524615594
Energy: 0.4468369147669574
Energy: 0.5148997522674102
Energy: 0.48393481418945605
Energy: 0.3921594684418198
Energy: 0.48393481418945605
Energy: 0.3924842567430676
Energy: 0.43464630790900727
Energy: 0.3924522866814957
Energy: 0.4346463079080986
Energy: 0.390903321810792
Energy: 0.4560763972313964
Energy: 0.4923892939221869
Energy: 0.4560763972304877
Energy: 0.4426342562937132
Energy: 0.45019272507907954
Energy: 0.4151707216470027
Energy: 0.45019272507907954
Energy: 0.4164240989545152
Energy: 0.43034806855734864
Energy: 0.5566374066350568
Energy: 0.43034806855734864
Energy: 0.530445556410862
Energy: 0.500542329571702
Energy: 0.4312030251810741
Energy: 0.500542329571702
Energy: 0.38981862694970526
Energy: 0.4568868656261925
Energy: 0.4487021159229467
Energy: 0.45688686562528386
Energy: 0.5186747568405773
Energy: 0.4476195072471233
Energy: 0.42177048634576203
Energy: 0.44761950724803196
Energy: 0.41654073019481325
Energy: 0.5087224038427454
Energy: 0.44880270265018374
Energy: 0.5087224038418368
Energy: 0.4258666130701715
Energy: 0.44643975076001735
Energy: 0.5028664232287949
Energy: 0.44643975076001735
Energy: 0.39775286369437124
Energy: 0.5551246425977332
Energy: 0.4199498823722908
Energy: 0.5551246425977332
Energy: 0.39487909596259985
Energy: 0.5307295568928364
Energy: 0.47493279788501114
Energy: 0.5307295568919278
Energy: 0.544129678214102
Energy: 0.45537256177042584
Energy: 0.4019406585520092
Energy: 0.45537256177042584
Energy: 0.40870880780587293
Energy: 0.4291814459426452
Energy: 0.5048584790155346
Energy: 0.4291814459426452

minimum gb energy = 0.38981862694970526 eV
minimum distance =  2.42356805802367 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.3900051435886779
Energy: 0.5751488364267593
Energy: 0.6559693492933946
Energy: 0.5751488364248317
Energy: 0.5512910894927511
Energy: 0.46941861918761946
Energy: 0.39710723865095005
Energy: 0.4694186191349612
Energy: 0.41230928048503807
Energy: 0.44210617138488395
Energy: 0.4033513062755656
Energy: 0.4421061713842414
Energy: 0.44095478645721825
Energy: 0.46613322285883735
Energy: 0.39731439034284
Energy: 0.4661332228581948
Energy: 0.43294484815738377
Energy: 0.41684913138905516
Energy: 0.3948040887356939
Energy: 0.41684913138905516
Energy: 0.41019066576547875
Energy: 0.4401521826415805
Energy: 0.4927988445797405
Energy: 0.4401521826415805
Energy: 0.45102910886534137
Energy: 0.5310060637087726
Energy: 0.4012677714780938
Energy: 0.5310060637087726
Energy: 0.4101026894407928
Energy: 0.39288049897511923
Energy: 0.5538212857021161
Energy: 0.39288049897511923
Energy: 0.5493604757965179
Energy: 0.411453444566727
Energy: 0.39591067092372895
Energy: 0.41145344456801203
Energy: 0.3929834865649222
Energy: 0.470818636391486
Energy: 0.4434692294348895
Energy: 0.4708186363908434
Energy: 0.4052195982901423
Energy: 0.4864442517466379
Energy: 0.40595175731391714
Energy: 0.4864442517466379
Energy: 0.4003274115154343
Energy: 0.4174212827782007
Energy: 0.4406737081560809
Energy: 0.4174212827814133
Energy: 0.4037497943453751
Energy: 0.40012720991294937
Energy: 0.4577385915624285
Energy: 0.40012720991166434
Energy: 0.40482347845809913
Energy: 0.4371496527413449
Energy: 0.43389037281422554
Energy: 0.4371496527419874
Energy: 0.3907868340009794
Energy: 0.48769289213847866
Energy: 0.558464545742956
Energy: 0.4876928921391211
Energy: 0.6961996049612916
Energy: 0.38408592844536615
Energy: 0.390734768919565
Energy: 0.38408592844536615
Energy: 0.39067146864288455
Energy: 0.4179626954555538
Energy: 0.5099245466554901
Energy: 0.4179626954555538
Energy: 0.40111473396904923
Energy: 0.46450087342269164
Energy: 0.42247469855976494
Energy: 0.46450087342269164
Energy: 0.3907232707705526
Energy: 0.4413120570332347
Energy: 0.4733895436982667
Energy: 0.4413120570332347
Energy: 0.39338281889955
Energy: 0.41886771474982265
Energy: 0.435117888846128
Energy: 0.41886771475046525
Energy: 0.46295623272609526
Energy: 0.44708641204403743
Energy: 0.39577906316801575
Energy: 0.44708641204339494
Energy: 0.4099323094833745
Energy: 0.4450062806956243
Energy: 0.44284830989681606
Energy: 0.4450062806949817
Energy: 0.497115049918729
Energy: 0.4189716008608721
Energy: 0.39860300699924556
Energy: 0.418971600859587
Energy: 0.40033314414836946
Energy: 0.39071229437621113
Energy: 0.49887359936349884
Energy: 0.3907122943768537
Energy: 0.4284528230397499
Energy: 0.419068075678621
Energy: 0.3968836583057337
Energy: 0.41906807567797844
Energy: 0.4259001166509663
Energy: 0.44095468164300183
Energy: 0.40219334639429827
Energy: 0.4409546816449295
Energy: 0.39174226590894284
Energy: 0.4273781366579888
Energy: 0.395817081226458
Energy: 0.42737813665863134
Energy: 0.4486204088451628
Energy: 0.41724830835938886
Energy: 0.3971921819345526
Energy: 0.41724830835938886
Energy: 0.40308324616582436
Energy: 0.443156530204666
Energy: 0.4477251281149944
Energy: 0.443156530204666
Energy: 0.5107436443820296
Energy: 0.5017985549980983
Energy: 0.3971808811149429
Energy: 0.5017985549955282
Energy: 0.40298265914917264
Energy: 0.4426467545695493
Energy: 0.5962976079320135
Energy: 0.4426467545689068

minimum gb energy = 0.38408592844536615 eV
minimum distance =  2.41541523688597 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.3522686746872939
Energy: 0.33035876054106883
Energy: 1.6606289507907628
Energy: 0.330358760540845
Energy: 0.31923514324370267
Energy: 0.33229306276328546
Energy: 0.33124013497984417
Energy: 0.3322930627606494
Energy: 0.3202966434392498
Energy: 0.3697913899524762
Energy: 0.5202350787890675
Energy: 0.3697913899524762
Energy: 0.40181325263665674
Energy: 0.3191098888214436
Energy: 0.3312785928732961
Energy: 0.31910988882276164
Energy: 0.352510472534438
Energy: 0.3428304771176398
Energy: 0.5226064544088925
Energy: 0.3428304771180626
Energy: 0.33032592923359416
Energy: 0.3655876897222756
Energy: 0.3302945439773716
Energy: 0.36558768972205186
Energy: 0.3194065412337389
Energy: 0.3425803699048196
Energy: 0.35243449204381394
Energy: 0.34258036990459584
Energy: 0.3312613395376114
Energy: 0.31893022157578804
Energy: 0.4018087682800034
Energy: 0.3189302215764347
Energy: 0.5200549135073571
Energy: 0.3659728136875765
Energy: 0.35373435955285243
Energy: 0.36597281368712886

minimum gb energy = 0.31893022157578804 eV
minimum distance =  2.46195834728014 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.37008103232741896
Energy: 0.439759574657126
Energy: 0.5983900768588288
Energy: 0.439759574657126
Energy: 0.4457582802384371
Energy: 0.4899725609784711
Energy: 0.3781013855511628
Energy: 0.48997256098026437
Energy: 0.35539208936336264
Energy: 0.43944177072294016
Energy: 0.5473536214486651
Energy: 0.43944177072294016
Energy: 0.3788063032955942
Energy: 0.44661935270408626
Energy: 0.36268673779439836
Energy: 0.44661935270408626
Energy: 0.3601385042674744
Energy: 0.4704802420104433
Energy: 0.42666740258022745
Energy: 0.4704802420104433
Energy: 0.38942314333525074
Energy: 0.4579015414987008
Energy: 0.3545444937493699
Energy: 0.4579015414987008
Energy: 0.35496654375468
Energy: 0.4187634104100044
Energy: 0.34981233090306874
Energy: 0.41876341040939746
Energy: 0.35372207764564056
Energy: 0.39666038221515904
Energy: 0.37387961452998736
Energy: 0.39666038221515904
Energy: 0.359899255774828
Energy: 0.4512161684430647
Energy: 0.37669964035776127
Energy: 0.4512161684430647
Energy: 0.358010508012882
Energy: 0.4140743017011875
Energy: 0.4011516038838847
Energy: 0.4140743017011875
Energy: 0.37766048595196233
Energy: 0.475526047414547
Energy: 0.3563180611671931
Energy: 0.475526047415154
Energy: 0.3747622681597395
Energy: 0.4026451268229616
Energy: 0.43856227262331315
Energy: 0.40264512682053377
Energy: 0.41752856234776775
Energy: 0.4150112484264539
Energy: 0.3916053078364632
Energy: 0.4150112484264539
Energy: 0.3668819570419629
Energy: 0.4843810550042136
Energy: 0.4245613997705997
Energy: 0.4843810550036066
Energy: 0.46909586119279345
Energy: 0.4838628136089642
Energy: 0.3562109792519601
Energy: 0.4838628136089642
Energy: 0.35807712888269305
Energy: 0.4540264497822077
Energy: 0.38022218879341263
Energy: 0.4540264497828146
Energy: 0.521223185732394
Energy: 0.46716219130362946
Energy: 0.3817379511999823
Energy: 0.46716219130362946
Energy: 0.3605174370092217
Energy: 0.4622150643116735
Energy: 0.44469892997320254
Energy: 0.46221506431228043
Energy: 0.456518332121256
Energy: 0.4179952134362618
Energy: 0.3517855526753303
Energy: 0.41799521343686874
Energy: 0.3552451481940095
Energy: 0.480353665382665
Energy: 0.37033577507522836
Energy: 0.4803536653808441
Energy: 0.3512137065608014
Energy: 0.49515476792986796
Energy: 0.3565775259039157
Energy: 0.4951547679304748
Energy: 0.3825778677550116
Energy: 0.4148753137137944
Energy: 0.3579531252628763
Energy: 0.4148753137137944
Energy: 0.34986255925297044
Energy: 0.4204747049095032
Energy: 0.35099217363773033
Energy: 0.4204747049101102
Energy: 0.3913988750533582
Energy: 0.44330914385306475
Energy: 0.37712577186040924
Energy: 0.44330914385910664
Energy: 0.39822698838015946
Energy: 0.4036358403039691
Energy: 0.37582057087187226
Energy: 0.40363584030457605
Energy: 0.37539910486718214
Energy: 0.4824350301507156
Energy: 0.3607167459636201
Energy: 0.4824350301501086
Energy: 0.37523608096765604
Energy: 0.41743740719677025
Energy: 0.4978676393771177
Energy: 0.41743740719677025
Energy: 0.4024862234189755
Energy: 0.476047553978627
Energy: 0.3582719736818508
Energy: 0.4760475539877312
Energy: 0.3611610782452627
Energy: 0.4948262003324174
Energy: 0.43198924098285263
Energy: 0.4948262003330244
Energy: 0.4191755483353549
Energy: 0.4608369553165206
Energy: 0.3606889095029886
Energy: 0.4608369553159136
Energy: 0.3544049989336818
Energy: 0.39243309006711163
Energy: 0.4433400316354481
Energy: 0.39243309006711163
Energy: 0.5224420424973295
Energy: 0.47156819672919503
Energy: 0.35629802659179416
Energy: 0.47156819672919503
Energy: 0.3599303295201256
Energy: 0.46818121377646355
Energy: 0.3540908389260119
Energy: 0.46818121377646355

minimum gb energy = 0.34981233090306874 eV
minimum distance =  2.42004011916991 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.418661916269747
Energy: 0.46781895721227756
Energy: 0.5911561837482189
Energy: 0.4678189572131167
Energy: 0.4298780993475472
Energy: 0.4564846579991031
Energy: 0.3505071421438463
Energy: 0.4564846579991031
Energy: 0.34744816871943873
Energy: 0.4713995848596701
Energy: 0.4864458379185401
Energy: 0.4713995848605093
Energy: 0.40786980074487594
Energy: 0.4486211465558611
Energy: 0.35759481364519663
Energy: 0.4486211465558611
Energy: 0.338847121245847
Energy: 0.48007402330767956
Energy: 0.4359725892890054
Energy: 0.48007402330767956
Energy: 0.3295184393475454
Energy: 0.48474075850648224
Energy: 0.3579458536633029
Energy: 0.48474075850648224
Energy: 0.34515153534637116
Energy: 0.45208749476165483
Energy: 0.4609747885432886
Energy: 0.45208749476165483
Energy: 0.3452116000537983
Energy: 0.47497813174354714
Energy: 0.38853370373737967
Energy: 0.474978131742708
Energy: 0.3800463286283718
Energy: 0.4476885639731226
Energy: 0.3612808054907339
Energy: 0.4476885639722834
Energy: 0.37995469475835214
Energy: 0.43586075681814107
Energy: 0.42421440607874783
Energy: 0.4358607568173018
Energy: 0.34498377043744527
Energy: 0.45861910007524825
Energy: 0.3611556456502008
Energy: 0.45861910007440904
Energy: 0.34517139985353607
Energy: 0.47693515145604515
Energy: 0.429973742290743
Energy: 0.476935151455206
Energy: 0.32968729943774716
Energy: 0.4884334220431713
Energy: 0.35811368202575006
Energy: 0.4884334220440106
Energy: 0.33320703651263367
Energy: 0.45918324434727453
Energy: 0.43169722136440125
Energy: 0.45918324434643526
Energy: 0.49221339564162936
Energy: 0.4180975175259462
Energy: 0.35823754135627595
Energy: 0.4180975175259462
Energy: 0.34710572567318465
Energy: 0.45623843675906134
Energy: 0.41673685945579025
Energy: 0.4562384367582221
Energy: 0.45647809894838354
Energy: 0.4905148906322614
Energy: 0.3488114494468291
Energy: 0.4905148906322614
Energy: 0.41866191627058624
Energy: 0.46781895721227756
Energy: 0.5911561837490582
Energy: 0.4678189572131167
Energy: 0.4298780993475472
Energy: 0.4564846579991031
Energy: 0.3505071421430071
Energy: 0.4564846579991031
Energy: 0.34744816871943873
Energy: 0.4713995848605093
Energy: 0.4864458379193793
Energy: 0.4713995848605093
Energy: 0.40786980074487594
Energy: 0.4486211465550219
Energy: 0.35759481364519663
Energy: 0.4486211465558611
Energy: 0.338847121245847
Energy: 0.4800740233085188
Energy: 0.4359725892881662
Energy: 0.48007402330767956
Energy: 0.3295184393475454
Energy: 0.4847407585081606
Energy: 0.35794585366246373
Energy: 0.4847407585081606
Energy: 0.34515153534637116
Energy: 0.45208749476165483
Energy: 0.407804651760001
Energy: 0.45208749476165483

minimum gb energy = 0.3295184393475454 eV
minimum distance =  2.50216368907717 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.39029318321396966
Energy: 0.4617220969217797
Energy: 0.6591276541620498
Energy: 0.4617220969217797
Energy: 0.5543656101444384
Energy: 0.4535340959734099
Energy: 0.3667330802052591
Energy: 0.4535340959739286
Energy: 0.3631236476358734
Energy: 0.482073995282691
Energy: 0.5553595766464494
Energy: 0.48207399528372846
Energy: 0.47572348202163867
Energy: 0.42328128773649254
Energy: 0.3627045142308655
Energy: 0.42328128773752993
Energy: 0.36094403883507886
Energy: 0.46813024962209093
Energy: 0.45218325514361396
Energy: 0.46813024962260963
Energy: 0.3610888935399102
Energy: 0.47092721197606796
Energy: 0.3686828821237816
Energy: 0.47092721197969883
Energy: 0.37107824714059096
Energy: 0.47404093435098055
Energy: 0.41198327865240947
Energy: 0.47404093435098055
Energy: 0.3596872203892843
Energy: 0.43456053675059875
Energy: 0.36227267560552745
Energy: 0.4345605367500801
Energy: 0.3919665537403163
Energy: 0.4335789305635594
Energy: 0.3965329717983345
Energy: 0.4335789305630407
Energy: 0.38470032748507127
Energy: 0.47301888655132207
Energy: 0.364788323897237
Energy: 0.47301888655132207
Energy: 0.3632058095421469
Energy: 0.42353248698200524
Energy: 0.36321657215902736
Energy: 0.42353248698096785
Energy: 0.36544474852099873
Energy: 0.4410929190357519
Energy: 0.3553841082942304
Energy: 0.4410929190352331
Energy: 0.35956289708339434
Energy: 0.4689595164464613
Energy: 0.3704567736409346
Energy: 0.4689595164469799
Energy: 0.37002166115019636
Energy: 0.47919746981723593
Energy: 0.391403193666111
Energy: 0.4791974698167173
Energy: 0.3708706751746994
Energy: 0.46455582435087395
Energy: 0.395771256398416
Energy: 0.4645558243513927
Energy: 0.3629155822260901
Energy: 0.44315236882544484
Energy: 0.44533774041913643
Energy: 0.44315236882544484
Energy: 0.49524118192870803
Energy: 0.4262492821611106
Energy: 0.3660740379837383
Energy: 0.4262492821611106
Energy: 0.3597144858200384
Energy: 0.4500629135885355
Energy: 0.48760132909493337
Energy: 0.4500629135890542
Energy: 0.4288923794770512
Energy: 0.497129687153699
Energy: 0.36587793821846426
Energy: 0.49712968715318023
Energy: 0.3659468059380365
Energy: 0.46389156212063926
Energy: 0.5243331334259642
Energy: 0.4638915621211579
Energy: 0.5022394559391703
Energy: 0.44864221308570484
Energy: 0.37304330113589396
Energy: 0.44864221308622354
Energy: 0.373330765923802
Energy: 0.48593714243963027
Energy: 0.5321268890033395
Energy: 0.48593714243911157
Energy: 0.4842209190243081
Energy: 0.4299456684110086
Energy: 0.36702022002836654
Energy: 0.4299456684110086
Energy: 0.36742312866754606
Energy: 0.4612640393078287
Energy: 0.4384038164978756
Energy: 0.4612640393073101
Energy: 0.45986806749967285
Energy: 0.45158197180854
Energy: 0.3609593697821711
Energy: 0.45158197180802134
Energy: 0.3714683468950851
Energy: 0.43893162477619324
Energy: 0.4936403038493027
Energy: 0.43893162477619324
Energy: 0.4239528839065188
Energy: 0.5164050830276684
Energy: 0.36376368305837486
Energy: 0.5164050830276684
Energy: 0.39764453132129357
Energy: 0.46316808852083174
Energy: 0.371868345130995
Energy: 0.46316808852186914
Energy: 0.39097603132891595
Energy: 0.4789960242542004
Energy: 0.3711638751545146
Energy: 0.4789960242536817
Energy: 0.3718350849562787
Energy: 0.47398982222419767
Energy: 0.4098440132777326
Energy: 0.47398982222471636
Energy: 0.36325475516575484
Energy: 0.4641751147784048
Energy: 0.3675165737438109
Energy: 0.4641751147778861
Energy: 0.37008821374940765
Energy: 0.48485741068283206
Energy: 0.36054751802768825
Energy: 0.4848574106823133
Energy: 0.3641290987070895
Energy: 0.4694193317999674
Energy: 0.44000499875222937
Energy: 0.4694193317999674
Energy: 0.4193570900872677
Energy: 0.4333188326316915
Energy: 0.37379945187585356
Energy: 0.4333188326327289
Energy: 0.3612939579963999
Energy: 0.4765967777222864
Energy: 0.45834902480635986
Energy: 0.47659677772124903
Energy: 0.41696788748524194
Energy: 0.4823032773461911
Energy: 0.37636671872624267
Energy: 0.48230327734670975
Energy: 0.3670516984850629
Energy: 0.48319885225933407
Energy: 0.362462080489027
Energy: 0.48319885225933407
Energy: 0.447603578539436
Energy: 0.4670530792900729
Energy: 0.3732767878743787
Energy: 0.46705307929111034

minimum gb energy = 0.3553841082942304 eV
minimum distance =  2.46084751551161 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.3411060828057901
Energy: 0.40307696962236034
Energy: 0.6090359195138799
Energy: 0.40307696962236034
Energy: 0.37823749215692437
Energy: 0.38975792210764604
Energy: 0.3518610297126574
Energy: 0.38975792210764604
Energy: 0.35006147648171754
Energy: 0.4603554077484614
Energy: 0.5593866608046494
Energy: 0.4603554077484614
Energy: 0.3629867870409076
Energy: 0.39018276332989055
Energy: 0.35184197147916446
Energy: 0.39018276332989055
Energy: 0.35045113243820875
Energy: 0.4215342787739625
Energy: 0.5731894736075593
Energy: 0.4215342787739625
Energy: 0.35056496000726795
Energy: 0.3790606148924038
Energy: 0.3443006528044121
Energy: 0.3790606148924038
Energy: 0.35009864185091166
Energy: 0.4095596280902606
Energy: 0.3503762790785389
Energy: 0.4095596280902606
Energy: 0.5032815899146713
Energy: 0.4603413650045239
Energy: 0.3517759254272157
Energy: 0.4603413650045239
Energy: 0.3503386187499323
Energy: 0.4004116568202852
Energy: 0.47664357171121446
Energy: 0.4004116568202852
Energy: 0.37584934330123665
Energy: 0.4221381196569899
Energy: 0.34394222839653105
Energy: 0.4221381196569899
Energy: 0.3414103057343527
Energy: 0.3894832414640828
Energy: 0.35045953452931927
Energy: 0.3894832414640828
Energy: 0.3416705222863129
Energy: 0.4162865446115167
Energy: 0.35192584123256937
Energy: 0.4162865446115167
Energy: 0.34211163189307575
Energy: 0.446141555927689
Energy: 0.34432542912786473
Energy: 0.446141555927689
Energy: 0.34409078972158214
Energy: 0.4001507393037498
Energy: 0.3439388051986628
Energy: 0.4001507393037498
Energy: 0.35293521607516337
Energy: 0.44577984429401263
Energy: 0.34211136245180923
Energy: 0.44577984429401263

minimum gb energy = 0.3411060828057901 eV
minimum distance =  2.54293336224859 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.3701851386517236
Energy: 0.42500881609628144
Energy: 0.5966698214252515
Energy: 0.42500881609286845
Energy: 0.5377249705875875
Energy: 0.42277827780525934
Energy: 0.35410723894970325
Energy: 0.4227782778046905
Energy: 0.3534281014976282
Energy: 0.41534037292352505
Energy: 0.5690188064105415
Energy: 0.4153403729229562
Energy: 0.45808937940078953
Energy: 0.42825827671353534
Energy: 0.3508563647293916
Energy: 0.42825827671353534
Energy: 0.3574256188665839
Energy: 0.4460036236370814
Energy: 0.5007092815107177
Energy: 0.44600362363821905
Energy: 0.45012128590640227
Energy: 0.3983916245304887
Energy: 0.36331950740628316
Energy: 0.39839162453105753
Energy: 0.35793328181772005
Energy: 0.4422709105836799
Energy: 0.49541367762805943
Energy: 0.4422709105842488
Energy: 0.428476944941973
Energy: 0.44716203602440413
Energy: 0.3632416501782838
Energy: 0.447162036024973
Energy: 0.3575758782569458
Energy: 0.4183798515574337
Energy: 0.39303061678316825
Energy: 0.4183798515580025
Energy: 0.46020590327239397
Energy: 0.45567007644395285
Energy: 0.35077227578171893
Energy: 0.455670076443384
Energy: 0.357531697641755
Energy: 0.40451340688033205
Energy: 0.37878189156507036
Energy: 0.4045134068791944
Energy: 0.4863043650440791
Energy: 0.43332703001641126
Energy: 0.3594961010918978
Energy: 0.4333270300181178
Energy: 0.3774719976035084
Energy: 0.41780123341655767
Energy: 0.3762332256491551
Energy: 0.4178012334159888
Energy: 0.4367022431534372
Energy: 0.42666514152703416
Energy: 0.359573977822531
Energy: 0.42666514152760304
Energy: 0.35744649643505166
Energy: 0.42172095610804994
Energy: 0.3621623527067252
Energy: 0.4217209561074811
Energy: 0.35910063142078497
Energy: 0.4306049871027647
Energy: 0.35982666328753876
Energy: 0.4306049871039024
Energy: 0.36662268236096507
Energy: 0.4548637103349826
Energy: 0.3527048703215114
Energy: 0.4548637103361202
Energy: 0.37285983965782743
Energy: 0.4160042237079495
Energy: 0.3624067264702703
Energy: 0.41600422370738066
Energy: 0.3661596927183891
Energy: 0.42416483393821214
Energy: 0.3625287988160559
Energy: 0.42416483393878096
Energy: 0.366108970118833
Energy: 0.4210830293810582
Energy: 0.36228849335718744
Energy: 0.42108302938048936
Energy: 0.3728317375964251
Energy: 0.4163733801060018
Energy: 0.3623189161904556
Energy: 0.4163733801071394
Energy: 0.36660088073385216
Energy: 0.4549126841078182
Energy: 0.3529194451755068
Energy: 0.4549126841089558
Energy: 0.3590060186855624
Energy: 0.4302240149552698
Energy: 0.3597516201320398
Energy: 0.4302240149552698
Energy: 0.3583930578118146
Energy: 0.42168631134639406
Energy: 0.37626222805617787
Energy: 0.42168631134639406
Energy: 0.4366803979166387
Energy: 0.42648029779624574
Energy: 0.35955886297575795
Energy: 0.42648029779510804
Energy: 0.37549223603305343
Energy: 0.41775419611592224
Energy: 0.37098298377382133
Energy: 0.4177541961170599
Energy: 0.48635985275388266
Energy: 0.4333428103692081
Energy: 0.35946862576494193
Energy: 0.43334281036863925
Energy: 0.35764097530254985
Energy: 0.40447894898859094
Energy: 0.3575464561576303
Energy: 0.40447894898859094
Energy: 0.46012640527759674
Energy: 0.4556557672214056
Energy: 0.3509589606992799
Energy: 0.4556557672196991
Energy: 0.3576495270281685
Energy: 0.41844118188037127
Energy: 0.40555420042187973
Energy: 0.4184411818843532
Energy: 0.42853207333251675
Energy: 0.44685191893856235
Energy: 0.36323435686660915
Energy: 0.44685191894083776
Energy: 0.35763743516180113
Energy: 0.4422170874276227
Energy: 0.4285794574277165
Energy: 0.4422170874253474
Energy: 0.4501345714743954
Energy: 0.39840428006733475
Energy: 0.36329456145262173
Energy: 0.39840428006619705
Energy: 0.35786881586823954
Energy: 0.44981736272457057
Energy: 0.4791760154410548
Energy: 0.4498173627240018
Energy: 0.45799903198701464
Energy: 0.42833546789306787
Energy: 0.35091383705216966
Energy: 0.4283354678942056

minimum gb energy = 0.35077227578171893 eV
minimum distance =  2.53409472433382 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.3775857292844485
Energy: 0.40994455134416696
Energy: 0.5572101894287461
Energy: 0.40994455134416696
Energy: 0.5042707473656637
Energy: 0.3931828535084865
Energy: 0.33998899692710627
Energy: 0.3931828535084865
Energy: 0.34525311989544516
Energy: 0.4203001210677189
Energy: 0.45543016864074853
Energy: 0.4203001210677189
Energy: 0.43763404424018026
Energy: 0.39834647428016234
Energy: 0.33798763837950446
Energy: 0.39834647428114106
Energy: 0.3365048332732487
Energy: 0.39351918092682786
Energy: 0.44935728760742033
Energy: 0.39351918092682786
Energy: 0.3935785953802196
Energy: 0.4114060622823029
Energy: 0.36401130304441026
Energy: 0.4114060622823029
Energy: 0.34327760593216333
Energy: 0.437825198425253
Energy: 0.4877701485322856
Energy: 0.437825198425253
Energy: 0.43563057601629923
Energy: 0.36643983657470564
Energy: 0.34045912118582655
Energy: 0.36643983657470564
Energy: 0.3403795294424059
Energy: 0.3930744247035578
Energy: 0.44546341124228783
Energy: 0.3930744247035578
Energy: 0.45496329545891023
Energy: 0.4133519541308578
Energy: 0.3638809956249343
Energy: 0.4133519541308578
Energy: 0.34543669404097455
Energy: 0.43542003536629953
Energy: 0.3662094298105602
Energy: 0.43542003536629953
Energy: 0.4109862055329239
Energy: 0.38328801192097767
Energy: 0.3378582110053706
Energy: 0.383288011919999
Energy: 0.36316777237974507
Energy: 0.4113800704699597
Energy: 0.3744435622720555
Energy: 0.4113800704699597
Energy: 0.47660988636901974
Energy: 0.4364133203324225
Energy: 0.34202348609852035
Energy: 0.4364133203324225
Energy: 0.3769988080501757
Energy: 0.422698201600343
Energy: 0.33803870984367623
Energy: 0.422698201600343
Energy: 0.44272320924383746
Energy: 0.3915274575754361
Energy: 0.3402824917948364
Energy: 0.3915274575764148
Energy: 0.3631543718245128
Energy: 0.41341871150111215
Energy: 0.3428902794914444
Energy: 0.4134187115001335
Energy: 0.375193764839203
Energy: 0.44081772442870604
Energy: 0.3467242774199499
Energy: 0.4408177244277274
Energy: 0.33700852845656226
Energy: 0.3831789067312488
Energy: 0.3341306429972547
Energy: 0.3831789067312488
Energy: 0.3372167697398608
Energy: 0.4006884091936854
Energy: 0.36310926680602057
Energy: 0.4006884091936854

minimum gb energy = 0.3341306429972547 eV
minimum distance =  2.56551452275394 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.3590668797150092
Energy: 0.38831206461868983
Energy: 0.5349765156647691
Energy: 0.38831206461868983
Energy: 0.5270607010310575
Energy: 0.3996977164018391
Energy: 0.318509153216875
Energy: 0.39969771640107493
Energy: 0.3407954336597089
Energy: 0.36131333931676507
Energy: 0.50185667290136
Energy: 0.3613133393160009
Energy: 0.4835808820712207
Energy: 0.38321557588853916
Energy: 0.3209672996563051
Energy: 0.3832155758893034
Energy: 0.3235311158823799
Energy: 0.3998449341014253
Energy: 0.413237446953455
Energy: 0.39984493410066113
Energy: 0.4348950432235593
Energy: 0.39567210733116503
Energy: 0.32326194863462104
Energy: 0.39567210733116503
Energy: 0.3199312619575706
Energy: 0.3572472801811393
Energy: 0.4898331847032447
Energy: 0.35724728018266777
Energy: 0.42254768404588267
Energy: 0.38831128385197083
Energy: 0.34101475845951096
Energy: 0.38831128385197083
Energy: 0.3194432041179928
Energy: 0.4016463363552019
Energy: 0.516520132994128
Energy: 0.4016463363552019
Energy: 0.5113265957292664
Energy: 0.3750450115151196
Energy: 0.33228362900135117
Energy: 0.3750450115151196
Energy: 0.3200648839206837
Energy: 0.3572685805135437
Energy: 0.4962496743315588
Energy: 0.3572685805135437
Energy: 0.5022081499623245
Energy: 0.39191386297937225
Energy: 0.3409663085474202
Energy: 0.39191386298013653
Energy: 0.32190098064036643
Energy: 0.38138897925239096
Energy: 0.47134506966995765
Energy: 0.3813889792531552
Energy: 0.4628708569699803
Energy: 0.3848583453237402
Energy: 0.32320468307303224
Energy: 0.38485834532450447
Energy: 0.3232639162250472
Energy: 0.37150888361677276
Energy: 0.43439279135891695
Energy: 0.37150888361677276
Energy: 0.5234374286328999
Energy: 0.4135064461650949
Energy: 0.31927604958695377
Energy: 0.41350644616433074
Energy: 0.343348697817307
Energy: 0.3877570145251867
Energy: 0.4807972775257997
Energy: 0.38775701452442246
Energy: 0.4671722969971684
Energy: 0.3893905637929275
Energy: 0.3201381482798129
Energy: 0.3893905637929275
Energy: 0.3613328824770465
Energy: 0.3862432533283327
Energy: 0.4066844824373596
Energy: 0.3862432533283327
Energy: 0.4719952734813618
Energy: 0.4135310270111054
Energy: 0.31882482203289586
Energy: 0.41353102701034117
Energy: 0.3435150625765962
Energy: 0.3926126363930368
Energy: 0.4544178189132491
Energy: 0.3926126363922725
Energy: 0.4097160535877738
Energy: 0.3855139898273559
Energy: 0.3244428777761723
Energy: 0.3855139898273559
Energy: 0.32493254578734565
Energy: 0.38055446584381347
Energy: 0.43835056053493626
Energy: 0.38055446584304925
Energy: 0.33923646302457655
Energy: 0.393774297490273
Energy: 0.3230716764718872
Energy: 0.393774297490273
Energy: 0.3222082935358888
Energy: 0.3970424940790752
Energy: 0.48980609371979333
Energy: 0.39704249407983944
Energy: 0.3163333077381892
Energy: 0.3918740116705384
Energy: 0.34383396340388744
Energy: 0.3918740116705384

minimum gb energy = 0.3163333077381892 eV
minimum distance =  2.46954950275914 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.3714509686030015
Energy: 0.3523112692092922
Energy: 0.5226614793483184
Energy: 0.3523112692092922
Energy: 0.5076349051277709
Energy: 0.41559990813904873
Energy: 0.2987454697545559
Energy: 0.41559990813904873
Energy: 0.3035870643908966
Energy: 0.3393714889766858
Energy: 0.5306264281937918
Energy: 0.3393714889773123
Energy: 0.49684188293642007
Energy: 0.34177339694126535
Energy: 0.29863902232096223
Energy: 0.3417733969406388
Energy: 0.29550577341401163
Energy: 0.36078537233890284
Energy: 0.5564741220404025
Energy: 0.36078537233890284
Energy: 0.4648525714851972
Energy: 0.37445683940101077
Energy: 0.29869586284512045
Energy: 0.37445683940101077
Energy: 0.2981233034700995
Energy: 0.3499499993134538
Energy: 0.5326374829392314
Energy: 0.3499499993134538
Energy: 0.40108531219657817
Energy: 0.3429120374690573
Energy: 0.2961920563731162
Energy: 0.3429120374690573
Energy: 0.30038120264877266
Energy: 0.35820658502630015
Energy: 0.4806334420421485
Energy: 0.35820658502630015
Energy: 0.4884247067394065
Energy: 0.3391803736663329
Energy: 0.3041188196674293
Energy: 0.3391803736657064
Energy: 0.29797218442080037
Energy: 0.4160555271883154
Energy: 0.5083038858521987
Energy: 0.4160555271889419
Energy: 0.5252379066787449
Energy: 0.37856949453659955
Energy: 0.3705175880357617
Energy: 0.37856949453534655
Energy: 0.30017141325498536
Energy: 0.3913370256221337
Energy: 0.5229165624957686
Energy: 0.3913370256227602
Energy: 0.4896639695260631
Energy: 0.416761149628223
Energy: 0.3041505715451814
Energy: 0.416761149628223
Energy: 0.298170442576749
Energy: 0.3485618156675016
Energy: 0.4960347724667786
Energy: 0.3485618156675016
Energy: 0.4877893541235268
Energy: 0.3818197132051231
Energy: 0.29605258539107704
Energy: 0.3818197132051231
Energy: 0.300357730744959
Energy: 0.35819489615984745
Energy: 0.4485521410396956
Energy: 0.3581948961592494
Energy: 0.528136711432063
Energy: 0.39536152607495195
Energy: 0.2985972255094518
Energy: 0.39536152607495195
Energy: 0.298099916580806
Energy: 0.3423795737665646
Energy: 0.39775992272981464
Energy: 0.3423795737665646
Energy: 0.5629681778179094
Energy: 0.3583381397924323
Energy: 0.30047639557274336
Energy: 0.3583381397924323
Energy: 0.3058828274954638
Energy: 0.35776733790356446
Energy: 0.425014569514057
Energy: 0.357767337904191
Energy: 0.5205475802656162
Energy: 0.42130725885496534
Energy: 0.29866385750950236
Energy: 0.42130725885559184
Energy: 0.3705045001174348
Energy: 0.3565155555485497
Energy: 0.3942653218520927
Energy: 0.3565155555485497
Energy: 0.4455499544976596
Energy: 0.37667708840783964
Energy: 0.3006167096728059
Energy: 0.37667708840783964
Energy: 0.3060885518786133
Energy: 0.38036113061565047
Energy: 0.47648717340280344
Energy: 0.38036113061565047
Energy: 0.4453237856640607
Energy: 0.3712017742266204
Energy: 0.298624986281315
Energy: 0.3712017742266204
Energy: 0.2980052516717287
Energy: 0.3819848638144827
Energy: 0.48802169090580705
Energy: 0.38198486381510927
Energy: 0.38551829531462667
Energy: 0.3567919671458834
Energy: 0.3009187789535633
Energy: 0.3567919671458834
Energy: 0.30039395313301853
Energy: 0.36216275134555215
Energy: 0.5275653086148681
Energy: 0.36216275134617865
Energy: 0.29779281075423675
Energy: 0.3802837231980697
Energy: 0.3007883929133825
Energy: 0.3802837231980697
Energy: 0.30205426793510404
Energy: 0.3576472070848777
Energy: 0.4456292239982993
Energy: 0.3576472070848777
Energy: 0.2955107949983927
Energy: 0.3568802969459846
Energy: 0.3090646145021295
Energy: 0.3568802969466112

minimum gb energy = 0.29550577341401163 eV
minimum distance =  2.50505280028077 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.34853748408892815
Energy: 0.3951538280716365
Energy: 0.5099129077406799
Energy: 0.3951538280711057
Energy: 0.5149959419507043
Energy: 0.3621027336853871
Energy: 0.28572213352116965
Energy: 0.3621027336853871
Energy: 0.29282914085237816
Energy: 0.3257065200268117
Energy: 0.5160770409205105
Energy: 0.3257065200273425
Energy: 0.4997509193440778
Energy: 0.35750244884204807
Energy: 0.285878071103704
Energy: 0.3575024488425788
Energy: 0.2838357457060128
Energy: 0.36400557657853294
Energy: 0.5383105489228837
Energy: 0.3640055765801252
Energy: 0.4917371087742913
Energy: 0.3319231665560247
Energy: 0.2859276656427949
Energy: 0.33192316655708626
Energy: 0.28530067524659886
Energy: 0.3298267057228204
Energy: 0.5107892236175604
Energy: 0.32982670572335127
Energy: 0.5243797175845663
Energy: 0.32961021843459903
Energy: 0.2857885057450428
Energy: 0.32961021843459903
Energy: 0.28720120928767595
Energy: 0.390825147845568
Energy: 0.5018065660380057
Energy: 0.390825147845568
Energy: 0.5044320753569758
Energy: 0.33541818465450646
Energy: 0.2842195550948265
Energy: 0.3354181846550372
Energy: 0.2854485234891555
Energy: 0.3578529451444262
Energy: 0.501197090495309
Energy: 0.35785294514495697
Energy: 0.47297371886303985
Energy: 0.32573550466794676
Energy: 0.2932212508885993
Energy: 0.32573550466794676
Energy: 0.28700739849394974
Energy: 0.3929306422719752
Energy: 0.5149454531300932
Energy: 0.39293064227462904
Energy: 0.4633429839664813
Energy: 0.3607210921150545
Energy: 0.3479306066223001
Energy: 0.360721092116116
Energy: 0.2854908834874988
Energy: 0.3614277677594136
Energy: 0.5151467646828604
Energy: 0.3614277677599443
Energy: 0.47442612535271517
Energy: 0.35079255592422814
Energy: 0.2932183143341241
Energy: 0.35079255592475883
Energy: 0.28697423234221753
Energy: 0.37635836704826037
Energy: 0.49923686604403783
Energy: 0.37635836704826037
Energy: 0.5186962455499236
Energy: 0.377236639628349
Energy: 0.28409967660467517
Energy: 0.377236639628349
Energy: 0.28540831225386387
Energy: 0.3310128010716638
Energy: 0.4710621206900455
Energy: 0.3310128010716638
Energy: 0.5115675667028837
Energy: 0.3509809308481901
Energy: 0.2859089412154857
Energy: 0.3509809308481901
Energy: 0.2869172441161368
Energy: 0.3482128608376944
Energy: 0.44919006153131347
Energy: 0.34821286083716363
Energy: 0.5139099208496157
Energy: 0.3672939970461243
Energy: 0.28917017871722156
Energy: 0.3672939970461243
Energy: 0.2853221886688304
Energy: 0.33371846807534944
Energy: 0.5086444323924717
Energy: 0.33371846807481864
Energy: 0.5237810296094804
Energy: 0.33182725348742015
Energy: 0.2858421907153547
Energy: 0.33182725348635866
Energy: 0.29453211757582
Energy: 0.34766718159644555
Energy: 0.4802475881348693
Energy: 0.34766718159697624
Energy: 0.4982976105117438
Energy: 0.38866407060844854
Energy: 0.2888406636242763
Energy: 0.38866407060685626
Energy: 0.3482486428370374
Energy: 0.3635047934491518
Energy: 0.46447553600839825
Energy: 0.3635047934491518
Energy: 0.516337753842777
Energy: 0.3532767813966426
Energy: 0.28569198729640866
Energy: 0.3532767813961118
Energy: 0.29440133220792974
Energy: 0.3840074138706689
Energy: 0.4606874054902969
Energy: 0.3840074138706689
Energy: 0.48980102064044184
Energy: 0.35299016820121387
Energy: 0.2888611121759404
Energy: 0.3529901682006831
Energy: 0.2853195940687589
Energy: 0.3769110090090171
Energy: 0.5193935928878125
Energy: 0.37691100900848634
Energy: 0.479330245024261
Energy: 0.33035083670543686
Energy: 0.28587437935642424
Energy: 0.33035083670543686
Energy: 0.2868177797040956
Energy: 0.401638916462262
Energy: 0.522287352626253
Energy: 0.4016389164627928
Energy: 0.4557009703683733
Energy: 0.3473175688042425
Energy: 0.2889026036662883
Energy: 0.3473175688042425
Energy: 0.2825580667952411
Energy: 0.36331991112938916
Energy: 0.5066398752985546
Energy: 0.3633199111283277
Energy: 0.5043449477487918
Energy: 0.33266907943386875
Energy: 0.28746724004248647
Energy: 0.33266907943386875
Energy: 0.2868714232670017
Energy: 0.3738500094157727
Energy: 0.4751808423364908
Energy: 0.3738500094157727

minimum gb energy = 0.2825580667952411 eV
minimum distance =  2.52930208422213 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.33208671251784
Energy: 0.36903412253085327
Energy: 0.48549752743777264
Energy: 0.3690341225303929
Energy: 0.5056342840652923
Energy: 0.3287128115757954
Energy: 0.26092921644114236
Energy: 0.3287128115757954
Energy: 0.3170968960233283
Energy: 0.30086267198109845
Energy: 0.48957295360780667
Energy: 0.30086267198063815
Energy: 0.4950856589947342
Energy: 0.3385444472355702
Energy: 0.2608678609290589
Energy: 0.3385444472351098
Energy: 0.27008487560342287
Energy: 0.28873086286095906
Energy: 0.5421439435444292
Energy: 0.28873086286095906
Energy: 0.48176638465771193
Energy: 0.31811446872349797
Energy: 0.260635859863458
Energy: 0.31811446872349797
Energy: 0.2587803805029345
Energy: 0.32387344280271396
Energy: 0.4886446811363063
Energy: 0.32387344280179325
Energy: 0.47573777397526024
Energy: 0.3097947648492789
Energy: 0.2608416712266298
Energy: 0.3097947648492789
Energy: 0.26046085198819763
Energy: 0.29371138798493335
Energy: 0.4809403976130369
Energy: 0.29371138798585406
Energy: 0.49191572081784296
Energy: 0.3080334319161481
Energy: 0.25919115382577534
Energy: 0.3080334319161481
Energy: 0.26121784181589025
Energy: 0.3183457087783449
Energy: 0.49995684982234445
Energy: 0.3183457087783449
Energy: 0.4900205341620068
Energy: 0.31112207191229524
Energy: 0.2703893310738291
Energy: 0.31112207191275554
Energy: 0.26065876893210005
Energy: 0.32100361534261923
Energy: 0.49583165642147276
Energy: 0.3210036153430796
Energy: 0.45770298326087944
Energy: 0.3007985804230122
Energy: 0.31650481662999846
Energy: 0.3007985804234725
Energy: 0.2608123285737139
Energy: 0.329544222529953
Energy: 0.5063545579587388
Energy: 0.329544222529953
Energy: 0.4477315261758285
Energy: 0.3286107171319658
Energy: 0.3315854965327732
Energy: 0.3286107171319658
Energy: 0.2603758467521666
Energy: 0.32398707461706217
Energy: 0.506298623664948
Energy: 0.32398707461706217
Energy: 0.4583251228241242
Energy: 0.32136082645886366
Energy: 0.3164373532344799
Energy: 0.32136082645886366
Energy: 0.2608360202095366
Energy: 0.3375898249109378
Energy: 0.49439010031861796
Energy: 0.3375898249113981
Energy: 0.4962684634191465
Energy: 0.3337608421410147
Energy: 0.2703979936772269
Energy: 0.333760842140094
Energy: 0.2603236819891597
Energy: 0.29378779125191384
Energy: 0.48117215857400536
Energy: 0.29378779125237425
Energy: 0.4893141958651529
Energy: 0.3246337092527582
Energy: 0.2591913849023663
Energy: 0.3246337092532185
Energy: 0.2608014561807379
Energy: 0.31086977182294506
Energy: 0.4757009761171684
Energy: 0.3108697718224847
Energy: 0.4929690048960365
Energy: 0.3649350172860235
Energy: 0.2609042424242439
Energy: 0.3649350172864838
Energy: 0.2604428945444472
Energy: 0.2925832031056409
Energy: 0.4845949576761702
Energy: 0.2925832031061012
Energy: 0.5007472310844603
Energy: 0.3303727001121717
Energy: 0.2610864448190381
Energy: 0.3303727001121717
Energy: 0.2717113618744756
Energy: 0.3109294398778814
Energy: 0.48911722381676387
Energy: 0.3109294398778814
Energy: 0.5025104187362948
Energy: 0.334956113511469
Energy: 0.2609006515825035
Energy: 0.334956113511469
Energy: 0.31668860644158264
Energy: 0.32091445570387944
Energy: 0.4732659833099767
Energy: 0.32091445570387944
Energy: 0.5072819404405677
Energy: 0.346080205013827
Energy: 0.2610912801418328
Energy: 0.3460802050133667
Energy: 0.331831296424201
Energy: 0.32861942968607427
Energy: 0.4474798731937858
Energy: 0.3286194296856139
Energy: 0.4958718229311833
Energy: 0.37151167774575566
Energy: 0.2608764245775352
Energy: 0.37151167774529525
Energy: 0.3167740210102875
Energy: 0.30311378189975025
Energy: 0.4567252863242486
Energy: 0.30311378189929
Energy: 0.4943843077371826
Energy: 0.33728546986279456
Energy: 0.2611148772670462
Energy: 0.3372854698623342
Energy: 0.27161935933074793
Energy: 0.333177150538687
Energy: 0.4657626106219182
Energy: 0.33317715053822666
Energy: 0.4553630763308983
Energy: 0.3266652155005905
Energy: 0.2608670126648082
Energy: 0.32666521550013017
Energy: 0.2603544377524713
Energy: 0.3037300014402885
Energy: 0.4900666833679882
Energy: 0.3037300014402885
Energy: 0.4751929079537882
Energy: 0.30902896639296246
Energy: 0.2610446072041867
Energy: 0.30902896639296246
Energy: 0.2618561008713004
Energy: 0.3507603464753909
Energy: 0.4006775453306087
Energy: 0.35076034647493065
Energy: 0.3760187928097423
Energy: 0.3269669680733498
Energy: 0.2592415788821444
Energy: 0.3269669680728895
Energy: 0.2612370702006541
Energy: 0.3118734504436231
Energy: 0.4946118014008494
Energy: 0.3118734504436231
Energy: 0.4859638647556058
Energy: 0.3112552712613321
Energy: 0.27053127066726834
Energy: 0.3112552712613321
Energy: 0.2609784696011628
Energy: 0.34120710548576166
Energy: 0.487402123325901
Energy: 0.34120710548576166

minimum gb energy = 0.2587803805029345 eV
minimum distance =  2.56780451416374 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011719811557627786
Energy: 0.012234364096847049
Energy: 0.273999998535902
Energy: 0.012234364096158953
Energy: 0.2740135549144219
Energy: 0.16711818010937576
Energy: 0.16681114264331487
Energy: 0.1671181801090219
Energy: 0.011719811557627786
Energy: 0.012234364096847049
Energy: 0.27399999853556783
Energy: 0.012234364096158953
Energy: 0.2740135549144219
Energy: 0.16711818010937576
Energy: 0.16681114264331487
Energy: 0.1671181801090219
Energy: 0.011719811557627786
Energy: 0.012234364096847049
Energy: 0.273999998535902
Energy: 0.012234364096158953
Energy: 0.2740135549144219
Energy: 0.16711818010937576
Energy: 0.16681114264331487
Energy: 0.16711818010937576

minimum gb energy = 0.011719811557627786 eV
minimum distance =  2.82582225498896 Angstroms
sigma value = 1