Model name: model_name=Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_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=3.357264015404516
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: 0.01036192864485543
Energy: 0.010861851097660974
Energy: 0.3626979835605886
Energy: 0.010861851097660974
Energy: 0.010861851097660974
Energy: 0.08444425134062383
Energy: 0.010861851097660974
Energy: 0.08444425134062383
Energy: 0.3626979835605886
Energy: 0.010861851097660974
Energy: 0.01036192864485543
Energy: 0.010861851097660974
Energy: 0.010861851097660974
Energy: 0.08444425134062383
Energy: 0.010861851097660974
Energy: 0.08444425134062383

minimum gb energy = 0.01036192864485543 eV
minimum distance =  2.65687226300965 Angstroms
sigma value = 1


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

Energy: 0.41013378833320235
Energy: 0.3700593983063488
Energy: 0.48339286329592185
Energy: 0.3700593983063488
Energy: 0.4097828344926941
Energy: 0.3776423337201933
Energy: 0.4043626132726987
Energy: 0.3776423337201933
Energy: 0.40367641254563424
Energy: 0.3752858173683167
Energy: 0.3931169684596587
Energy: 0.3752858173677097
Energy: 0.3934798593236876
Energy: 0.4036170869817573
Energy: 0.4105548978180764
Energy: 0.4036170869817573
Energy: 0.392083543208952
Energy: 0.38129233873034546
Energy: 0.43170957755790185
Energy: 0.38129233873034546
Energy: 0.4145207207711206
Energy: 0.4091707458982876
Energy: 0.39013462083962347
Energy: 0.4091707458982876
Energy: 0.44025182309657795
Energy: 0.39370154844391575
Energy: 0.4155750567797854
Energy: 0.39370154844391575
Energy: 0.42011428153056485
Energy: 0.3860523116989264
Energy: 0.38239708550341756
Energy: 0.3860523116983194
Energy: 0.4047024097738168
Energy: 0.4606245943598322
Energy: 0.4189479995947264
Energy: 0.4606245943592252
Energy: 0.38110130621008914
Energy: 0.3561080060878042
Energy: 0.4181485529674104
Energy: 0.35610800608719717
Energy: 0.4275540437178171
Energy: 0.37690606740879823
Energy: 0.40439668891462816
Energy: 0.37690606740879823
Energy: 0.3777594191722595
Energy: 0.3759017537901299
Energy: 0.38988078333982307
Energy: 0.37590175379073687
Energy: 0.4041982672876428
Energy: 0.3796906464044337
Energy: 0.43487678993997486
Energy: 0.3796906464044337
Energy: 0.39499346183780804
Energy: 0.38120212715524093
Energy: 0.39126338024344076
Energy: 0.38120212715524093
Energy: 0.4019787360351174
Energy: 0.4022383809667659
Energy: 0.43046706521118516
Energy: 0.40223838096615894
Energy: 0.4008694571962137
Energy: 0.40043678280696
Energy: 0.41917598613629287
Energy: 0.40043678280696
Energy: 0.39294281715324464
Energy: 0.37542716346645827
Energy: 0.41093038165444534
Energy: 0.37542716346645827
Energy: 0.40419525302690956
Energy: 0.37865779566648733
Energy: 0.43274119887214874
Energy: 0.37865779566648733
Energy: 0.41575864301173393
Energy: 0.3752243804052528
Energy: 0.39320074677097216
Energy: 0.3752243804052528
Energy: 0.42914906875116265
Energy: 0.45205174703842654
Energy: 0.4049305116004668
Energy: 0.4520517470390334
Energy: 0.3816765937315177
Energy: 0.3632781130738707
Energy: 0.42109847722589044
Energy: 0.36327811307326374
Energy: 0.4105982324647117
Energy: 0.42545815162992184
Energy: 0.4184637932540501
Energy: 0.4254581516305288
Energy: 0.40792427475268456
Energy: 0.38352452675058724
Energy: 0.4058977589665154
Energy: 0.38352452675058724
Energy: 0.41419239690825416
Energy: 0.3824055518923679
Energy: 0.4144290589915516
Energy: 0.382405551891761
Energy: 0.415594907181662
Energy: 0.41630827450941055
Energy: 0.4219122069638065
Energy: 0.41630827450941055
Energy: 0.3871215048658642
Energy: 0.3876204655112853
Energy: 0.4121437831914825
Energy: 0.38762046551067836
Energy: 0.40411963393260253
Energy: 0.40430527973513314
Energy: 0.40476343984952057
Energy: 0.404305279736347
Energy: 0.4719108796813239
Energy: 0.3595419329911352
Energy: 0.3923360742058841
Energy: 0.3595419329911352
Energy: 0.40992321842427665
Energy: 0.3772828948677348
Energy: 0.4076099787679297
Energy: 0.3772828948677348
Energy: 0.40735114027253627
Energy: 0.37742792059360003
Energy: 0.37906016487639804
Energy: 0.37742792059360003
Energy: 0.41085955284819947
Energy: 0.3888286935415942
Energy: 0.40412172716110345
Energy: 0.3888286935415942
Energy: 0.3948660073132726
Energy: 0.3859878548060734
Energy: 0.394979816467352
Energy: 0.3859878548060734
Energy: 0.3920245811114335
Energy: 0.4002709192736825
Energy: 0.4112902769349523
Energy: 0.4002709192736825

minimum gb energy = 0.35610800608719717 eV
minimum distance =  2.4932649746371 Angstroms
sigma value = 1


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

Energy: 0.41856058379229466
Energy: 0.38787740632904055
Energy: 0.49982488200295533
Energy: 0.38787740632904055
Energy: 0.4096163540370368
Energy: 0.39726729272314476
Energy: 0.4156349964777187
Energy: 0.39726729272314476
Energy: 0.42174953006409194
Energy: 0.40452285684776
Energy: 0.40384307028223226
Energy: 0.4045228568484521
Energy: 0.4022960551067053
Energy: 0.42305282927562543
Energy: 0.4314872842832437
Energy: 0.4230528292749334
Energy: 0.4023465938314594
Energy: 0.39010966789454127
Energy: 0.4313664820077524
Energy: 0.39010966789454127
Energy: 0.3948213842298887
Energy: 0.3822572256954231
Energy: 0.4098808925118429
Energy: 0.3822572256954231
Energy: 0.43128666918050784
Energy: 0.43416979657354526
Energy: 0.4136366901745053
Energy: 0.4341697965728532
Energy: 0.42169647320383175
Energy: 0.404437499790359
Energy: 0.39833079630566953
Energy: 0.404437499790359
Energy: 0.4091726404317623
Energy: 0.4730111094787706
Energy: 0.43619462340087684
Energy: 0.4730111094780787
Energy: 0.39341344761758856
Energy: 0.3968683643325205
Energy: 0.4981774629401555
Energy: 0.3968683643325205
Energy: 0.4154741991270247
Energy: 0.4000630051959917
Energy: 0.42256652473994766
Energy: 0.4000630051959917
Energy: 0.4155396286832926
Energy: 0.3936799763921453
Energy: 0.40393614468902905
Energy: 0.3936799763921453
Energy: 0.420600475958979
Energy: 0.41341003861252906
Energy: 0.3983645175895538
Energy: 0.41341003861252906
Energy: 0.4205809788187776
Energy: 0.4134091722456776
Energy: 0.40256500939572537
Energy: 0.4134091722456776
Energy: 0.415555782977149
Energy: 0.39365242318620935
Energy: 0.4085531610495279
Energy: 0.39365242318551735
Energy: 0.4156837303742773
Energy: 0.39998229123629847
Energy: 0.41358542874267334
Energy: 0.39998229123629847
Energy: 0.3934516218410636
Energy: 0.39688997745987215
Energy: 0.41883273433001256
Energy: 0.39688997745987215
Energy: 0.4091717505844763
Energy: 0.4734610570376196
Energy: 0.43586191956179554
Energy: 0.47346105703692754
Energy: 0.4216263480787242
Energy: 0.40473104852149694
Energy: 0.38653380204249427
Energy: 0.404731048522189
Energy: 0.431517283518806
Energy: 0.43418828951002303
Energy: 0.41959676600185547
Energy: 0.43418828951002303
Energy: 0.39500229844123436
Energy: 0.38224186242221775
Energy: 0.3914533203261088
Energy: 0.38224186242221775
Energy: 0.40225148145933953
Energy: 0.3900613647586857
Energy: 0.4161862070164846
Energy: 0.3900613647586857
Energy: 0.4023491231541433
Energy: 0.42300934112631033
Energy: 0.4137357504593773
Energy: 0.42300934112631033
Energy: 0.42168301676805603
Energy: 0.4045798841334706
Energy: 0.41153802273670526
Energy: 0.4045798841320865
Energy: 0.40961699922108147
Energy: 0.3972657614091299
Energy: 0.4155582142306843
Energy: 0.3972657614091299
Energy: 0.41856058379229466
Energy: 0.38787740632904055
Energy: 0.49234002944691085
Energy: 0.38787740632904055
Energy: 0.4096163540363448
Energy: 0.39726729272314476
Energy: 0.4156349964770267
Energy: 0.39726729272314476
Energy: 0.42174953006409194
Energy: 0.4045228568484521
Energy: 0.40384307028223226
Energy: 0.40452285684776
Energy: 0.4022960551067053
Energy: 0.4230528292749334
Energy: 0.4194216473958746
Energy: 0.42305282927562543

minimum gb energy = 0.38224186242221775 eV
minimum distance =  2.48383718151458 Angstroms
sigma value = 25


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

Energy: 0.42898102250348835
Energy: 0.3945434823594244
Energy: 0.5430285432539496
Energy: 0.3945434823594244
Energy: 0.42574516020326963
Energy: 0.42172739892182415
Energy: 0.4056357079163748
Energy: 0.42172739892182415
Energy: 0.423371955810507
Energy: 0.42636165353930733
Energy: 0.3998384940974797
Energy: 0.42636165353930733
Energy: 0.4050281630299914
Energy: 0.43260060374506654
Energy: 0.433814690099796
Energy: 0.4326006037442621
Energy: 0.4379131299568232
Energy: 0.4018601236268097
Energy: 0.4476228414179677
Energy: 0.4018601236268097
Energy: 0.5106843588388617
Energy: 0.4255421881847531
Energy: 0.44246738740638075
Energy: 0.4255421881847531
Energy: 0.43582322522511413
Energy: 0.4657626310474805
Energy: 0.44916460969569616
Energy: 0.4657626343588035
Energy: 0.3853095612533421
Energy: 0.38734120325972166
Energy: 0.42904512950493434
Energy: 0.38734120325972166
Energy: 0.44883783174311886
Energy: 0.4090842902996775
Energy: 0.4236417824945413
Energy: 0.4090842902996775
Energy: 0.39913114702280994
Energy: 0.4241441286949033
Energy: 0.4195352849459544
Energy: 0.42414412869570783
Energy: 0.40953614892332907
Energy: 0.41633120969326914
Energy: 0.43769619962111417
Energy: 0.41633120969326914
Energy: 0.43577342247324297
Energy: 0.41003972756321205
Energy: 0.43372142025987015
Energy: 0.4100397275640165
Energy: 0.40001932833200315
Energy: 0.4230822040673264
Energy: 0.4196037357831078
Energy: 0.4230822040673264
Energy: 0.4499760780230631
Energy: 0.4286328153807111
Energy: 0.41730446607470556
Energy: 0.4286328153807111
Energy: 0.42238414582434397
Energy: 0.38231911984853867
Energy: 0.4279829983094344
Energy: 0.38231911984853867
Energy: 0.43089402882389655
Energy: 0.46008517463302284
Energy: 0.4297790704793022
Energy: 0.46008517422534206
Energy: 0.42545436531833436
Energy: 0.42790232761980074
Energy: 0.42179382666053916
Energy: 0.42790232761980074
Energy: 0.436859898186149
Energy: 0.4118267009338361
Energy: 0.4089889485817186
Energy: 0.4118267009338361
Energy: 0.3922785496630134
Energy: 0.42351924661077406
Energy: 0.43232911750373965
Energy: 0.42351924661077406
Energy: 0.41811851615497125
Energy: 0.4245883332416907
Energy: 0.4107617633017006
Energy: 0.4245883332416907
Energy: 0.4190664551028651
Energy: 0.41514666442889925
Energy: 0.4034097208050385
Energy: 0.41514666442889925
Energy: 0.4232152758402483
Energy: 0.3879469561054515
Energy: 0.39030254458679786
Energy: 0.3879469561054515
Energy: 0.4265664391315292
Energy: 0.41584761807838244
Energy: 0.4154542392473631
Energy: 0.41584761807838244
Energy: 0.510931883107871
Energy: 0.4143789899718883
Energy: 0.39913032281096794
Energy: 0.4143789899726928
Energy: 0.4265828101997673
Energy: 0.49943083293120305
Energy: 0.4290520204958722
Energy: 0.4994308329303986

minimum gb energy = 0.38231911984853867 eV
minimum distance =  2.50004115418962 Angstroms
sigma value = 9


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

Energy: 0.42021275206266545
Energy: 0.43336658093349295
Energy: 0.5966212308233287
Energy: 0.43336658093349295
Energy: 0.4430704095435014
Energy: 0.4187467385884592
Energy: 0.40427122222950745
Energy: 0.4187467385884592
Energy: 0.4255701359979251
Energy: 0.4125521771152959
Energy: 0.39745773255546685
Energy: 0.4125521771152959
Energy: 0.42196863328534684
Energy: 0.45288541925803333
Energy: 0.4432476674640459
Energy: 0.45288541925803333
Energy: 0.41223492431514436
Energy: 0.3986082661779031
Energy: 0.45636797898706694
Energy: 0.3986082661779031
Energy: 0.42262984488178945
Energy: 0.42018505858587607
Energy: 0.5353503600985219
Energy: 0.42018505858587607
Energy: 0.40716002158551834
Energy: 0.4773990951024664
Energy: 0.44305939652093634
Energy: 0.4773990948540213
Energy: 0.5270798510725788
Energy: 0.4000675033036048
Energy: 0.42820195792128724
Energy: 0.4000675033036048
Energy: 0.41217385983369353
Energy: 0.4185944073262879
Energy: 0.3891246520556619
Energy: 0.4185944073262879
Energy: 0.4119843136182364
Energy: 0.417435936148571
Energy: 0.45055416035680956
Energy: 0.417435936148571
Energy: 0.4272725575115005
Energy: 0.39096934454945487
Energy: 0.4100034019055315
Energy: 0.39096934454945487
Energy: 0.39769908971068524
Energy: 0.4167574426037899
Energy: 0.44333665766733166
Energy: 0.4167574426037899
Energy: 0.4119444041416024
Energy: 0.4214872504995496
Energy: 0.3990761976583588
Energy: 0.4214872504995496
Energy: 0.4790773315728308
Energy: 0.48403762136826867
Energy: 0.3748689841195011
Energy: 0.48403762136826867
Energy: 0.4119691405477714
Energy: 0.42129367561989606
Energy: 0.5180235523930654
Energy: 0.42129367561989606
Energy: 0.39763667037621275
Energy: 0.4174269797108956
Energy: 0.44337752197737373
Energy: 0.4174269797108956
Energy: 0.4272668998927339
Energy: 0.39096963261664275
Energy: 0.3974963904557101
Energy: 0.3909696326156831
Energy: 0.41209491432850326
Energy: 0.4173176900632629
Energy: 0.45066087033904656
Energy: 0.4173176900632629
Energy: 0.41227264555844745
Energy: 0.41849521466600476
Energy: 0.3892275704629141
Energy: 0.41849521466600476
Energy: 0.526891071446148
Energy: 0.39946369966897927
Energy: 0.4281663317811487
Energy: 0.39946369966897927
Energy: 0.40711721587360494
Energy: 0.4772034770549376
Energy: 0.44308259478015133
Energy: 0.47720347704630056

minimum gb energy = 0.3748689841195011 eV
minimum distance =  2.51888509077281 Angstroms
sigma value = 25


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

Energy: 0.41538402801397556
Energy: 0.42387943785683413
Energy: 0.44104051204683814
Energy: 0.42387943785683413
Energy: 0.39949641593965707
Energy: 0.44562939989699824
Energy: 0.3892677077081347
Energy: 0.44562939989699824
Energy: 0.4044802361048907
Energy: 0.449566863483121
Energy: 0.3895918240422017
Energy: 0.449566863483121
Energy: 0.4250222418259589
Energy: 0.43675205721749677
Energy: 0.5448467364383144
Energy: 0.43675205721749677
Energy: 0.42613463984703
Energy: 0.4808803006135077
Energy: 0.4827232692226178
Energy: 0.48088030061232095
Energy: 0.39141314926371107
Energy: 0.4477220482986816
Energy: 0.5441513713018342
Energy: 0.4477220482986816
Energy: 0.44142054626988436
Energy: 0.43862234225167684
Energy: 0.4033542908603214
Energy: 0.43862234225167684
Energy: 0.4125301313274594
Energy: 0.4255737914788083
Energy: 0.41787722200071414
Energy: 0.4255737914788083
Energy: 0.3903032096521801
Energy: 0.44717690996860376
Energy: 0.40028734366485264
Energy: 0.44717690996860376
Energy: 0.5734104151327287
Energy: 0.46638148873069296
Energy: 0.4034532732808785
Energy: 0.46638148873069296
Energy: 0.40157673680557515
Energy: 0.4149651479309231
Energy: 0.41103560273087836
Energy: 0.41496514793210987
Energy: 0.40366680610446476
Energy: 0.5470104317813599
Energy: 0.4248742127208204
Energy: 0.5470104318134039
Energy: 0.5209142836060252
Energy: 0.4308844334269609
Energy: 0.3888158503118704
Energy: 0.4308844334269609
Energy: 0.42739310620606163
Energy: 0.4418134797612031
Energy: 0.42503299611190093
Energy: 0.4418134797612031
Energy: 0.4365835902494059
Energy: 0.42042963058342303
Energy: 0.4111914762473677
Energy: 0.42042963058342303
Energy: 0.4223371983906534
Energy: 0.4663503876081586
Energy: 0.39159191425196826
Energy: 0.4663503876081586
Energy: 0.4029107635729797
Energy: 0.4088536542141636
Energy: 0.44503072157061985
Energy: 0.4088536542129767

minimum gb energy = 0.3888158503118704 eV
minimum distance =  2.47923570406082 Angstroms
sigma value = 17


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

Energy: 0.4305568866246459
Energy: 0.4810520848008109
Energy: 0.5630528254625253
Energy: 0.4810520848008109
Energy: 0.3949525157305135
Energy: 0.4932545730187329
Energy: 0.4179690447609998
Energy: 0.4932545730187329
Energy: 0.40648105384442773
Energy: 0.47227798126659243
Energy: 0.39075828832100173
Energy: 0.47227798126592024
Energy: 0.42433019207509803
Energy: 0.4531185302257947
Energy: 0.4722164709043421
Energy: 0.4531185302257947
Energy: 0.42194496706569457
Energy: 0.5090434458201643
Energy: 0.4450563664565089
Energy: 0.5090434458201643
Energy: 0.397620613287235
Energy: 0.4434055666247926
Energy: 0.534508679729799
Energy: 0.44340556662546476
Energy: 0.41494058501760067
Energy: 0.46312033111915873
Energy: 0.4255480497102443
Energy: 0.46312033111915873
Energy: 0.4083467517885239
Energy: 0.4646625466360378
Energy: 0.40159234054813936
Energy: 0.46466254663536555
Energy: 0.43459806053568806
Energy: 0.475297154709495
Energy: 0.5506026175795742
Energy: 0.475297154709495
Energy: 0.5111757057559374
Energy: 0.5413004464535
Energy: 0.41702057481430443
Energy: 0.5413004464535
Energy: 0.3885356654766942
Energy: 0.4767481068106127
Energy: 0.546243904775262
Energy: 0.4767481068106127
Energy: 0.42708984909014985
Energy: 0.4580763944428458
Energy: 0.42620535040357016
Energy: 0.4580763944428458
Energy: 0.4797506061491449
Energy: 0.4744755413809179
Energy: 0.4275956570458188
Energy: 0.4744755413815901
Energy: 0.3900970399741711
Energy: 0.48167416590967743
Energy: 0.46133160339298734
Energy: 0.48167416590967743
Energy: 0.4834767853879896
Energy: 0.4582725781002217
Energy: 0.42589497689902683
Energy: 0.45827257810089383
Energy: 0.44508991480656074
Energy: 0.446347445292124
Energy: 0.38680224454348805
Energy: 0.446347445292124
Energy: 0.4260166165057804
Energy: 0.44742803748144777
Energy: 0.41574276961566636
Energy: 0.44742803748144777
Energy: 0.5057605012366126
Energy: 0.4739414684590095
Energy: 0.39757790348723476
Energy: 0.4739414684590095
Energy: 0.4355326136516837
Energy: 0.44268416109408276
Energy: 0.4669919958819523
Energy: 0.44268416109408276
Energy: 0.434945906723619
Energy: 0.4740862556956838
Energy: 0.416417868921444
Energy: 0.4740862556956838
Energy: 0.44179310257712345
Energy: 0.44782831393027767
Energy: 0.3884109243297948
Energy: 0.44782831393027767
Energy: 0.4172279512083948
Energy: 0.5545890582756219
Energy: 0.415299306714947
Energy: 0.554589058276294
Energy: 0.5328734546715848
Energy: 0.48860289608344015
Energy: 0.3856636776122618
Energy: 0.48860289608344015
Energy: 0.4432102007608984
Energy: 0.4630325440034334
Energy: 0.40542475450916027
Energy: 0.46303254400410554
Energy: 0.4423291364538029
Energy: 0.47482980455281004
Energy: 0.40638774704312736
Energy: 0.47482980455281004
Energy: 0.5452928219800554
Energy: 0.45779097431966453
Energy: 0.3865066338979755
Energy: 0.45779097432235316
Energy: 0.4613811661115366
Energy: 0.5033586737906516
Energy: 0.4436536171584608
Energy: 0.5033586737899794
Energy: 0.44169982176319766
Energy: 0.4444424230470929
Energy: 0.44187126816783856
Energy: 0.44444242304642073
Energy: 0.5063837797955667
Energy: 0.4893027301899285
Energy: 0.4149610026793226
Energy: 0.48930273019060067
Energy: 0.4147622029701857
Energy: 0.4340215682550911
Energy: 0.4466459760216987
Energy: 0.43402156825441895

minimum gb energy = 0.3856636776122618 eV
minimum distance =  2.41420020477491 Angstroms
sigma value = 53


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

Energy: 0.3277925251941116
Energy: 0.4924776996997115
Energy: 1.3146815186503773
Energy: 0.4924776996997115
Energy: 0.3795573415937073
Energy: 0.44695301187444175
Energy: 0.4024477382468702
Energy: 0.44695301187444175
Energy: 0.3645564681914002
Energy: 0.4219395826812579
Energy: 0.4069716934514655
Energy: 0.4219395826812579
Energy: 0.36507367575318306
Energy: 0.4184787906094279
Energy: 0.40207082357042545
Energy: 0.4184787906094279
Energy: 0.3796732277034216
Energy: 0.44919675146171517
Energy: 0.37170497573274613
Energy: 0.44919675146171517
Energy: 0.3277925251941116
Energy: 0.4924776996997115
Energy: 0.5040011262353642
Energy: 0.4924776996997115
Energy: 0.3795573415937073
Energy: 0.44695301187444175
Energy: 0.35738278966785936
Energy: 0.44695301187444175
Energy: 0.3645564681914002
Energy: 0.4219395826812579
Energy: 0.46004669662544545
Energy: 0.4219395826812579
Energy: 0.36507367575318306
Energy: 0.4184787906094279
Energy: 0.35753690564524615
Energy: 0.4184787906094279
Energy: 0.3796732277034216
Energy: 0.44919675146171517
Energy: 0.4336657920419476
Energy: 0.44919675146171517
Energy: 0.32779252519565905
Energy: 0.4924776996997115
Energy: 0.5040011262353642
Energy: 0.4924776996997115
Energy: 0.3795573415937073
Energy: 0.44695301187444175
Energy: 0.35738278966785936
Energy: 0.44695301187444175
Energy: 0.3645564681914002
Energy: 0.4219395826812579
Energy: 0.46004669662544545
Energy: 0.4219395826812579

minimum gb energy = 0.3277925251941116 eV
minimum distance =  2.47930582975695 Angstroms
sigma value = 9


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

Energy: 0.3898610518971179
Energy: 0.5485481134859365
Energy: 0.6275168222843353
Energy: 0.5485481134859365
Energy: 0.47346288997733926
Energy: 0.4206638640271933
Energy: 0.4016740250191966
Energy: 0.4206638640271933
Energy: 0.45728412495512344
Energy: 0.4596194774289632
Energy: 0.4215810117203052
Energy: 0.45961947742839054
Energy: 0.5163200853131151
Energy: 0.46223981203587666
Energy: 0.4217956885542202
Energy: 0.46223981203587666
Energy: 0.43071913718243227
Energy: 0.49287172295497905
Energy: 0.4061313626269141
Energy: 0.4928717229555518
Energy: 0.3796548103146984
Energy: 0.4757959619471456
Energy: 0.6078282562392973
Energy: 0.47579596194771834
Energy: 0.5188728227967211
Energy: 0.5352710547552602
Energy: 0.4169326096795809
Energy: 0.5352710547552602
Energy: 0.39847684287769575
Energy: 0.4528396604257512
Energy: 0.4588040391491121
Energy: 0.4528396604263239
Energy: 0.4651917978489206
Energy: 0.46363558202054955
Energy: 0.3963365614983384
Energy: 0.463635582021695
Energy: 0.39414604546165843
Energy: 0.41719453261848377
Energy: 0.4028694862149917
Energy: 0.41719453261848377
Energy: 0.40403327803996864
Energy: 0.46215192319230863
Energy: 0.5289516807025204
Energy: 0.46215192319230863
Energy: 0.4667032569482921
Energy: 0.5239876781119607
Energy: 0.4092267722506584
Energy: 0.5239876781125333
Energy: 0.3988546375408781
Energy: 0.4966034381446844
Energy: 0.4971583837690852
Energy: 0.4966034381452571
Energy: 0.5124275903672552
Energy: 0.4941570727068225
Energy: 0.4085394942473114
Energy: 0.4941570727062498
Energy: 0.3916946576972334
Energy: 0.4494381230288065
Energy: 0.4442151638776004
Energy: 0.44943812302823377
Energy: 0.40144784527728977
Energy: 0.4516493756918085
Energy: 0.43647633020767934
Energy: 0.4516493756906631
Energy: 0.43273516812699
Energy: 0.5016412163214875
Energy: 0.3918471267009248
Energy: 0.5016412163220603
Energy: 0.41886915781904654
Energy: 0.4767714761676291
Energy: 0.4996706220256048
Energy: 0.4767714761676291
Energy: 0.5923147126027221
Energy: 0.4270259570965401
Energy: 0.38110157969371716
Energy: 0.4270259570925311
Energy: 0.3995386332304763
Energy: 0.4769681004981695
Energy: 0.42435258439457274
Energy: 0.4769681004981695
Energy: 0.4568826989259089
Energy: 0.45395292103227575
Energy: 0.4099176228208347
Energy: 0.45395292103284846
Energy: 0.44061573485214695
Energy: 0.427949636941434
Energy: 0.41289502994760946
Energy: 0.4279496369420068
Energy: 0.3998886946637037
Energy: 0.42797151618744567
Energy: 0.454413879763887
Energy: 0.42797151618744567
Energy: 0.5333174293333336
Energy: 0.44037037908532833
Energy: 0.40272648623247087
Energy: 0.44037037908532833
Energy: 0.40121732647774105
Energy: 0.5233049364831375
Energy: 0.49445951345285605
Energy: 0.5233049364825648
Energy: 0.44865913746831754
Energy: 0.4590459198542947
Energy: 0.41323283394613547
Energy: 0.4590459198548675
Energy: 0.43876707996649517
Energy: 0.44938210330038286
Energy: 0.40844113120205616
Energy: 0.4493821032992374
Energy: 0.4114849995467947
Energy: 0.4342294613196732
Energy: 0.5150402339354482
Energy: 0.4342294613191005
Energy: 0.44906385793137327
Energy: 0.38387787919754185
Energy: 0.4130145153912232
Energy: 0.38387787908075793
Energy: 0.3997205372939091
Energy: 0.5467302889541237
Energy: 0.5089448695370096
Energy: 0.5467302889546963
Energy: 0.592638935251629
Energy: 0.44898732163515853
Energy: 0.4177247753644806
Energy: 0.4489873216357313
Energy: 0.4018530435992027
Energy: 0.4927210147240432
Energy: 0.4550719651493548
Energy: 0.4927210147240432
Energy: 0.404159881547975
Energy: 0.433851099614088
Energy: 0.4143937261660742
Energy: 0.4338510996146608
Energy: 0.45829333004951783
Energy: 0.45256751604227596
Energy: 0.4419394504914056
Energy: 0.45256751604227596
Energy: 0.40028373376270987
Energy: 0.47872472608060185
Energy: 0.5195671045920552
Energy: 0.47872472608744854

minimum gb energy = 0.3796548103146984 eV
minimum distance =  2.44062095971784 Angstroms
sigma value = 73


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

Energy: 0.414454002959335
Energy: 0.4089651636381115
Energy: 0.6773505337548735
Energy: 0.4089651635790888
Energy: 0.4802191850048567
Energy: 0.46301110258188816
Energy: 0.3946964208982435
Energy: 0.46301110258188816
Energy: 0.49255980754093126
Energy: 0.4831210477336838
Energy: 0.40131537062263783
Energy: 0.4831210477345925
Energy: 0.3950317467293549
Energy: 0.4471796806837103
Energy: 0.40851125430545304
Energy: 0.44717968068280156
Energy: 0.408822318842331
Energy: 0.44264174524420996
Energy: 0.4010028442724272
Energy: 0.44264174524420996
Energy: 0.4148862558059956
Energy: 0.45843461768625954
Energy: 0.49032083088959016
Energy: 0.45843461768625954
Energy: 0.5022125405026516
Energy: 0.47460667323368405
Energy: 0.42482542597535106
Energy: 0.47460667323368405
Energy: 0.3990585835171554
Energy: 0.44683691480144583
Energy: 0.5156959520419165
Energy: 0.44683691480144583
Energy: 0.5148997522682981
Energy: 0.4839348141885267
Energy: 0.3921594684417991
Energy: 0.4839348141885267
Energy: 0.39248425674304693
Energy: 0.43464630721961167
Energy: 0.39245229831372025
Energy: 0.43464630721870295
Energy: 0.390903321810792
Energy: 0.4560763975692378
Energy: 0.49238929398849957
Energy: 0.4560763975692378
Energy: 0.44263425603211787
Energy: 0.4501927250736275
Energy: 0.4151707222001177
Energy: 0.4501927250736275
Energy: 0.41642409895449456
Energy: 0.4303480880724577
Energy: 0.5566375452664236
Energy: 0.4303480880733664
Energy: 0.5304455501155989
Energy: 0.5005423300803125
Energy: 0.43120302518105347
Energy: 0.5005423300803125
Energy: 0.3898186273992932
Energy: 0.45688686562346653
Energy: 0.4487021173389318
Energy: 0.4568868656243752
Energy: 0.518674758702536
Energy: 0.44761950725437205
Energy: 0.42177048634576203
Energy: 0.44761950725437205
Energy: 0.416540730202062
Energy: 0.5087224032850458
Energy: 0.44880270265107175
Energy: 0.5087224032850458
Energy: 0.4258666130692421
Energy: 0.44643976046851375
Energy: 0.5028664232287743
Energy: 0.44643976046851375
Energy: 0.3977528698678925
Energy: 0.5551246425986212
Energy: 0.4199498823722908
Energy: 0.5551246425986212
Energy: 0.39487909596257914
Energy: 0.5307295585540813
Energy: 0.4749327978841024
Energy: 0.5307295585549899
Energy: 0.5441296780188194
Energy: 0.455372495762621
Energy: 0.40194065855198857
Energy: 0.455372495762621
Energy: 0.4087088078049436
Energy: 0.4291814572905781
Energy: 0.5048584790109705
Energy: 0.42918145728966944

minimum gb energy = 0.3898186273992932 eV
minimum distance =  2.42356996042543 Angstroms
sigma value = 7


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

Energy: 0.3900051435809383
Energy: 0.5751488364267301
Energy: 0.6559693333457836
Energy: 0.5751488364267301
Energy: 0.5512910894837557
Energy: 0.46941875663068194
Energy: 0.39710723865092085
Energy: 0.4694187564456915
Energy: 0.4123092813931384
Energy: 0.44210617091729687
Energy: 0.40335130627425136
Energy: 0.44210617091665433
Energy: 0.4409547866113088
Energy: 0.4661332229140366
Energy: 0.3973143903434533
Energy: 0.4661332229140366
Energy: 0.43294484807709666
Energy: 0.4168491313935237
Energy: 0.394804081569491
Energy: 0.4168491313935237
Energy: 0.4101906656678433
Energy: 0.44015218296652586
Energy: 0.4927988445482565
Energy: 0.44015218296588327
Energy: 0.45102910886595465
Energy: 0.5310060630902492
Energy: 0.4012677710541988
Energy: 0.5310060630908917
Energy: 0.41010268915559683
Energy: 0.39288046938234733
Energy: 0.5538212826340614
Energy: 0.39288046938298987
Energy: 0.5493604870537429
Energy: 0.41145344456736954
Energy: 0.3959106709243423
Energy: 0.411453444566727
Energy: 0.39298348637154973
Energy: 0.47081863432148585
Energy: 0.4434692294958714
Energy: 0.47081863432148585
Energy: 0.4052195984866398
Energy: 0.4864442515333761
Energy: 0.40595175731324534
Energy: 0.4864442515333761
Energy: 0.40032741154300466
Energy: 0.417421301114916
Energy: 0.4406737081740133
Energy: 0.417421301114916
Energy: 0.40374979432607
Energy: 0.40012720989814193
Energy: 0.4577385914936777
Energy: 0.40012720989814193
Energy: 0.40482347809457286
Energy: 0.4371522750382473
Energy: 0.4338903728141963
Energy: 0.4371522750388898
Energy: 0.39078683400095016
Energy: 0.48769289095286356
Energy: 0.5584645457429267
Energy: 0.48769289095286356
Energy: 0.6961996051410834
Energy: 0.3840871790506062
Energy: 0.3907347689208209
Energy: 0.38408717905124873
Energy: 0.390671468646068
Energy: 0.41796269775733225
Energy: 0.509924546752483
Energy: 0.41796269775668976
Energy: 0.40111473397418945
Energy: 0.4645008593080745
Energy: 0.42247469872542104
Energy: 0.464500859306147
Energy: 0.39072327077373603
Energy: 0.44131205701781395
Energy: 0.47338954367960406
Energy: 0.44131205701781395
Energy: 0.3933828189008058
Energy: 0.4188677271624636
Energy: 0.43511788960010855
Energy: 0.4188677271624636
Energy: 0.4629562506068183
Energy: 0.4470864120202638
Energy: 0.3957790631686291
Energy: 0.4470864120215489
Energy: 0.4099323094647119
Energy: 0.4450062808118347
Energy: 0.44284831188968327
Energy: 0.4450062808118347
Energy: 0.497115048970091
Energy: 0.41897157920116346
Energy: 0.39860300704165263
Energy: 0.4189715792005209
Energy: 0.4003331441483402
Energy: 0.3907122907976074
Energy: 0.498873498963176
Energy: 0.3907122907963223
Energy: 0.4284528230410058
Energy: 0.4190680712085643
Energy: 0.3968836581502997
Energy: 0.41906807120920686
Energy: 0.425900113488518
Energy: 0.4409546816622486
Energy: 0.4021933466036465
Energy: 0.4409546816622486
Energy: 0.3917422660990151
Energy: 0.42737813663804114
Energy: 0.3958170904388289
Energy: 0.42737813663804114
Energy: 0.4486204089157828
Energy: 0.4172483082649661
Energy: 0.3971921819345233
Energy: 0.4172483082649661
Energy: 0.40308324606623214
Energy: 0.44315653020463674
Energy: 0.44772512738023135
Energy: 0.44315653020463674
Energy: 0.510743641270312
Energy: 0.5017985541400277
Energy: 0.39718088111427113
Energy: 0.5017985541406702
Energy: 0.40298265932767935
Energy: 0.4426467545695201
Energy: 0.5962976115953437
Energy: 0.4426467545701626

minimum gb energy = 0.3840871790506062 eV
minimum distance =  2.4154152368849 Angstroms
sigma value = 29


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

Energy: 0.3522686746868463
Energy: 0.330358760515231
Energy: 1.710752914958565
Energy: 0.3303587605154549
Energy: 0.3192351432425836
Energy: 0.33229248817486773
Energy: 0.33124013497981936
Energy: 0.33229248819018636
Energy: 0.3202966434247767
Energy: 0.3697913899530979
Energy: 0.5202350777815171
Energy: 0.3697913899528741
Energy: 0.40181325263620904
Energy: 0.3191098883268447
Energy: 0.331278592873694
Energy: 0.3191098883268447
Energy: 0.3525104725341894
Energy: 0.3428304774310508
Energy: 0.5226064541094076
Energy: 0.3428304774310508
Energy: 0.3303259292335693
Energy: 0.36558768972267347
Energy: 0.33029454397734687
Energy: 0.3655876897222508
Energy: 0.31940654122389117
Energy: 0.3425803693715014
Energy: 0.3524344920444356
Energy: 0.34258036937172515
Energy: 0.3312613395371389
Energy: 0.3189302205992978
Energy: 0.4018087682799785
Energy: 0.3189302205992978
Energy: 0.5200549135305093
Energy: 0.36597281368755163
Energy: 0.353734359438435
Energy: 0.3659728136873278

minimum gb energy = 0.3189302205992978 eV
minimum distance =  2.46195834727865 Angstroms
sigma value = 5


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

Energy: 0.3700810323273913
Energy: 0.4397595746577054
Energy: 0.5983913694714259
Energy: 0.4397595746583123
Energy: 0.44575834387835195
Energy: 0.4899724452885535
Energy: 0.3781013866917
Energy: 0.48997244528733963
Energy: 0.3553920893578725
Energy: 0.43944177338804696
Energy: 0.5473536214316429
Energy: 0.4394417733898678
Energy: 0.3788063029661597
Energy: 0.44661935276836745
Energy: 0.36268673779315685
Energy: 0.44661935276836745
Energy: 0.3601385042668399
Energy: 0.47048024202920347
Energy: 0.426667406300954
Energy: 0.47048024202920347
Energy: 0.3894231435445373
Energy: 0.4579015436936164
Energy: 0.3545444929752359
Energy: 0.4579015436942233
Energy: 0.35496654396578736
Energy: 0.41876341721449356
Energy: 0.349812330915787
Energy: 0.41876341721449356
Energy: 0.35372207763226016
Energy: 0.39666038167034084
Energy: 0.37387961453117363
Energy: 0.39666038166973394
Energy: 0.3598992558858167
Energy: 0.45121616839936446
Energy: 0.3766996401199206
Energy: 0.4512161683999714
Energy: 0.3580105080152822
Energy: 0.41407430185888344
Energy: 0.40115160259649374
Energy: 0.4140743018594904
Energy: 0.3776604911439022
Energy: 0.475525636354919
Energy: 0.35631806116655856
Energy: 0.475525636354919
Energy: 0.3747622685473859
Energy: 0.40264514517920796
Energy: 0.4385622733100467
Energy: 0.4026451451804219
Energy: 0.4175285614995861
Energy: 0.4150112487534332
Energy: 0.39160530702469837
Energy: 0.4150112487534332
Energy: 0.36688195704254223
Energy: 0.48438105487192656
Energy: 0.42456135122113947
Energy: 0.48438105487192656
Energy: 0.4690958445412696
Energy: 0.4838628138704207
Energy: 0.35621097925071865
Energy: 0.4838628138704207
Energy: 0.3580771288820585
Energy: 0.4540264519625564
Energy: 0.3802222347347088
Energy: 0.4540264519631634
Energy: 0.5212231857796809
Energy: 0.4671621891068379
Energy: 0.3817379497736555
Energy: 0.46716218910744484
Energy: 0.3605174370079802
Energy: 0.4622150643128598
Energy: 0.4446987893185106
Energy: 0.4622150643128598
Energy: 0.4565183321594661
Energy: 0.41799521347869295
Energy: 0.35178555325529626
Energy: 0.41799521347990676
Energy: 0.3552451481745595
Energy: 0.48035284572171205
Energy: 0.37033579622826157
Energy: 0.4803528457204982
Energy: 0.35121370489362685
Energy: 0.4951547662001776
Energy: 0.35657752590449504
Energy: 0.49515476620078464
Energy: 0.3825778677561979
Energy: 0.4148753137168016
Energy: 0.3579531252658835
Energy: 0.41487531371740854
Energy: 0.34986255925233595
Energy: 0.4204747034085495
Energy: 0.35099217820843165
Energy: 0.4204747034085495
Energy: 0.39139887486586655
Energy: 0.44330738216114884
Energy: 0.3771257718361314
Energy: 0.44330738216114884
Energy: 0.39822698788447636
Energy: 0.4036358981925592
Energy: 0.37582057087912807
Energy: 0.4036358981925592
Energy: 0.37539908125465943
Energy: 0.48243503015008105
Energy: 0.3607167459623786
Energy: 0.48243503015008105
Energy: 0.37523607907295886
Energy: 0.4174374070778361
Energy: 0.49786763928306843
Energy: 0.4174374070778361
Energy: 0.40248555909552103
Energy: 0.47604495180215955
Energy: 0.35827197368303715
Energy: 0.4760449517784886
Energy: 0.36116107851339563
Energy: 0.49482620340158573
Energy: 0.43198924098464586
Energy: 0.4948262034021927
Energy: 0.4191755367817493
Energy: 0.46083695495673865
Energy: 0.3606889094999263
Energy: 0.46083695495673865
Energy: 0.3544049922001503
Energy: 0.3924330867175887
Energy: 0.4433399307035987
Energy: 0.39243308671698174
Energy: 0.5224420431773866
Energy: 0.4715682018604401
Energy: 0.35629802690845525
Energy: 0.4715682018604401
Energy: 0.35993032951767023
Energy: 0.46818121834895826
Energy: 0.3540908385043212
Energy: 0.46818121834895826

minimum gb energy = 0.349812330915787 eV
minimum distance =  2.42003924869286 Angstroms
sigma value = 1


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

Energy: 0.4186619196712001
Energy: 0.4678189572130977
Energy: 0.5911561864383498
Energy: 0.4678189572130977
Energy: 0.4298780993466889
Energy: 0.4564845565111798
Energy: 0.3505071421438272
Energy: 0.4564845565111798
Energy: 0.3474481687277926
Energy: 0.4713995848604902
Energy: 0.4864463035195209
Energy: 0.4713995848604902
Energy: 0.40786980036402914
Energy: 0.44862114365682515
Energy: 0.3575948136451776
Energy: 0.44862114365682515
Energy: 0.33884712145383655
Energy: 0.48007402330766047
Energy: 0.43597312130290905
Energy: 0.48007402330766047
Energy: 0.3295184387477422
Energy: 0.48474113264949675
Energy: 0.3579458536616054
Energy: 0.4847411326486576
Energy: 0.3451515354285561
Energy: 0.45208749476079657
Energy: 0.4609747885290221
Energy: 0.45208749476079657
Energy: 0.34521160006468893
Energy: 0.47497802574355846
Energy: 0.38853370055400566
Energy: 0.47497802574355846
Energy: 0.38004632861828225
Energy: 0.4476885636149153
Energy: 0.36128170880236343
Energy: 0.4476885636149153
Energy: 0.3799546947356935
Energy: 0.4358607568474751
Energy: 0.42421440632366236
Energy: 0.4358607568474751
Energy: 0.34498377044581824
Energy: 0.4586191002899705
Energy: 0.36115564562166785
Energy: 0.4586191002899705
Energy: 0.34517139977383055
Energy: 0.4769351514560261
Energy: 0.42997374368233665
Energy: 0.4769351514560261
Energy: 0.3296872990174578
Energy: 0.48843342461417316
Energy: 0.35811368202573096
Energy: 0.48843342461417316
Energy: 0.33320703655117995
Energy: 0.4591832443464162
Energy: 0.43169720472108414
Energy: 0.4591832443464162
Energy: 0.49221339563237904
Energy: 0.4180975069683768
Energy: 0.3582375413562569
Energy: 0.4180975069675376
Energy: 0.3471057256354204
Energy: 0.4562384367582031
Energy: 0.41673685784520204
Energy: 0.45623843675904224
Energy: 0.45647809890726254
Energy: 0.49051487975676655
Energy: 0.34881144944681003
Energy: 0.4905148797576058
Energy: 0.4186619196712001
Energy: 0.4678189572130977
Energy: 0.5911561864383498
Energy: 0.4678189572130977
Energy: 0.4298780993466889
Energy: 0.4564845565111798
Energy: 0.3505071421438272
Energy: 0.4564845565111798
Energy: 0.3474481687286318
Energy: 0.4713995848604902
Energy: 0.4864463035186817
Energy: 0.4713995848604902
Energy: 0.40786980036402914
Energy: 0.44862114365682515
Energy: 0.35759481364433837
Energy: 0.44862114365682515
Energy: 0.33884712145383655
Energy: 0.48007402330766047
Energy: 0.43597312130123056
Energy: 0.48007402330766047
Energy: 0.3295184387477422
Energy: 0.48474113264949675
Energy: 0.3579458536624447
Energy: 0.48474113264949675
Energy: 0.3451515354285561
Energy: 0.45208749476079657
Energy: 0.4078046516685466
Energy: 0.45208749476079657

minimum gb energy = 0.3295184387477422 eV
minimum distance =  2.50216368907714 Angstroms
sigma value = 17


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

Energy: 0.39029318342026925
Energy: 0.46172209692225125
Energy: 0.6591276541947276
Energy: 0.46172209692225125
Energy: 0.5543656097353288
Energy: 0.4535340966681324
Energy: 0.3667330802078526
Energy: 0.4535340966691697
Energy: 0.36312364763379856
Energy: 0.48207399543099094
Energy: 0.5553595766495616
Energy: 0.48207399543099094
Energy: 0.47572355965198415
Energy: 0.42328128775615587
Energy: 0.3627045142012999
Energy: 0.42328128775615587
Energy: 0.36094403900101446
Energy: 0.468130249623647
Energy: 0.45218323842825997
Energy: 0.468130249623647
Energy: 0.3610888138330363
Energy: 0.4709239015162917
Energy: 0.36868288212217837
Energy: 0.4709239015147356
Energy: 0.3710782471462966
Energy: 0.47404093448103174
Energy: 0.4119832786046894
Energy: 0.47404093448155044
Energy: 0.35968721462496916
Energy: 0.4345605366084761
Energy: 0.36227267560604615
Energy: 0.4345605366084761
Energy: 0.3919665518427379
Energy: 0.43357893048165264
Energy: 0.3965329696653153
Energy: 0.4335789304811339
Energy: 0.3847003274788469
Energy: 0.47301888623713384
Energy: 0.3647883238941248
Energy: 0.47301888623713384
Energy: 0.36320580957944576
Energy: 0.4235324702563245
Energy: 0.3632165721155041
Energy: 0.42353247025684315
Energy: 0.3654447485173679
Energy: 0.44109291798063
Energy: 0.35538410835958606
Energy: 0.44109291798063
Energy: 0.3595629040660792
Energy: 0.4689595164464141
Energy: 0.3704567736430094
Energy: 0.4689595164469328
Energy: 0.3700216611616076
Energy: 0.479197469753955
Energy: 0.39140319366710125
Energy: 0.47919746975343636
Energy: 0.3708706752156764
Energy: 0.4645556705018848
Energy: 0.3957712563625788
Energy: 0.46455567050240343
Energy: 0.36291558222557135
Energy: 0.4431523701439228
Energy: 0.4453377394417718
Energy: 0.4431523701439228
Energy: 0.4952411819286609
Energy: 0.4262492819744272
Energy: 0.3660740378095508
Energy: 0.4262492819739085
Energy: 0.35971448607462375
Energy: 0.4500629135677405
Energy: 0.48760133478191564
Energy: 0.4500629135677405
Energy: 0.4288923794749293
Energy: 0.497123981581688
Energy: 0.3658779382112025
Energy: 0.49712398158324406
Energy: 0.3659468059395455
Energy: 0.46389156205943305
Energy: 0.5241452236458931
Energy: 0.4638915620599518
Energy: 0.5022394502271963
Energy: 0.44864221310640556
Energy: 0.3730433011327817
Energy: 0.44864221310640556
Energy: 0.37333076582425956
Energy: 0.4859371451480247
Energy: 0.5321268886850016
Energy: 0.485937145147506
Energy: 0.48422091942917384
Energy: 0.42994565983088173
Energy: 0.36702022003091295
Energy: 0.42994565982984434
Energy: 0.3674231286841443
Energy: 0.46126402931123767
Energy: 0.4384038165693613
Energy: 0.46126402931123767
Energy: 0.4598680728056023
Energy: 0.45158197644304116
Energy: 0.36095936978165233
Energy: 0.4515819764409663
Energy: 0.37146834689145425
Energy: 0.43893162481613285
Energy: 0.4936403102553862
Energy: 0.43893162481613285
Energy: 0.42395288287426675
Energy: 0.5164050832443418
Energy: 0.3637636830552627
Energy: 0.5164050832438232
Energy: 0.3976445313279895
Energy: 0.46316808833876943
Energy: 0.3718683451387754
Energy: 0.4631680883382508
Energy: 0.3909760313293875
Energy: 0.4789960244397993
Energy: 0.3711638752836227
Energy: 0.4789960244392805
Energy: 0.3718350849562787
Energy: 0.47398982222311314
Energy: 0.4098440132611815
Energy: 0.4739898222236318
Energy: 0.36325475683727604
Energy: 0.4641751147752926
Energy: 0.3675165737427736
Energy: 0.46417511477581125
Energy: 0.3700882136757528
Energy: 0.4848574105822521
Energy: 0.3605475180308004
Energy: 0.4848574105822521
Energy: 0.36412909870605203
Energy: 0.4694193316516675
Energy: 0.4400049972465966
Energy: 0.4694193316511489
Energy: 0.4193570907286116
Energy: 0.43331883263480375
Energy: 0.37379945187321295
Energy: 0.433318832634285
Energy: 0.3612939580026242
Energy: 0.47659677750551865
Energy: 0.4583490307650446
Energy: 0.4765967775060373
Energy: 0.4169684886803884
Energy: 0.482303277796702
Energy: 0.37636671873142963
Energy: 0.482303277796702
Energy: 0.3670516984860531
Energy: 0.48319885096881865
Energy: 0.36246939929690175
Energy: 0.4831988509677812
Energy: 0.4476035776709504
Energy: 0.46705307940984453
Energy: 0.3732767879184678
Energy: 0.4670530794108819

minimum gb energy = 0.35538410835958606 eV
minimum distance =  2.46084751379888 Angstroms
sigma value = 89


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

Energy: 0.3411060828071164
Energy: 0.4030769696223294
Energy: 0.6090359225607094
Energy: 0.4030769696223294
Energy: 0.37823401281724917
Energy: 0.3897579180840201
Energy: 0.35186102971262656
Energy: 0.3897579180840201
Energy: 0.35006147648301306
Energy: 0.46035540774843053
Energy: 0.5593866608182212
Energy: 0.46035540774843053
Energy: 0.3629865978585895
Energy: 0.3901827654189855
Energy: 0.3518419714791336
Energy: 0.39018276542034264
Energy: 0.3504511324395351
Energy: 0.42153427879428923
Energy: 0.5731894737268984
Energy: 0.42153427879428923
Energy: 0.3505649600167373
Energy: 0.37906061489780163
Energy: 0.34430065280438127
Energy: 0.37906061489780163
Energy: 0.3500986418508808
Energy: 0.4095596280902297
Energy: 0.35037627907715085
Energy: 0.4095596280902297
Energy: 0.5032815900272553
Energy: 0.4603413650031358
Energy: 0.3517759254271849
Energy: 0.4603413650031358
Energy: 0.3503386187485442
Energy: 0.40041165747142127
Energy: 0.4766435708796357
Energy: 0.40041165747142127
Energy: 0.37584934330120584
Energy: 0.42213811965424464
Energy: 0.3439422283965002
Energy: 0.42213811965424464
Energy: 0.3414103057343219
Energy: 0.3894832409688987
Energy: 0.3504595345292884
Energy: 0.3894832409688987
Energy: 0.3416705222862821
Energy: 0.41628654461148584
Energy: 0.35192584123389564
Energy: 0.41628654461148584
Energy: 0.34211163189304494
Energy: 0.44614162666345664
Energy: 0.3443254288674103
Energy: 0.44614162666345664
Energy: 0.34409078972019413
Energy: 0.4001507392643917
Energy: 0.34393880519863196
Energy: 0.4001507392643917
Energy: 0.35293521713326714
Energy: 0.445779851728006
Energy: 0.3421113624517784
Energy: 0.4457798517266488

minimum gb energy = 0.3411060828071164 eV
minimum distance =  2.54293358408173 Angstroms
sigma value = 13


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

Energy: 0.37018513864999125
Energy: 0.42500881700317145
Energy: 0.5966698197160608
Energy: 0.42500881700374027
Energy: 0.537724970586424
Energy: 0.42277827780637117
Energy: 0.3541072389252431
Energy: 0.4227782778058023
Energy: 0.3534281014964647
Energy: 0.4153403730042231
Energy: 0.5690187012213599
Energy: 0.4153403730036543
Energy: 0.4580893909590734
Energy: 0.4282582767146471
Energy: 0.35085636486922345
Energy: 0.42825827671407835
Energy: 0.35742561886655805
Energy: 0.4460036441364049
Energy: 0.5007092838595457
Energy: 0.4460036441364049
Energy: 0.45012128535997736
Energy: 0.39839162453103166
Energy: 0.36331950739433744
Energy: 0.39839162453046284
Energy: 0.3579332818165565
Energy: 0.44227091021576814
Energy: 0.49541367752967547
Energy: 0.4422709102151993
Energy: 0.4284765429824127
Energy: 0.4471620360232406
Energy: 0.3632416501862218
Energy: 0.4471620360238095
Energy: 0.35757587825578224
Energy: 0.4183798515210278
Energy: 0.3931961290306854
Energy: 0.4183798515210278
Energy: 0.460205903353092
Energy: 0.4556700764462024
Energy: 0.35077227577657355
Energy: 0.4556700764462024
Energy: 0.3575316976405915
Energy: 0.40451340708728734
Energy: 0.37878218008064024
Energy: 0.40451340708785616
Energy: 0.48630436506965113
Energy: 0.43332703623732405
Energy: 0.35949610108504576
Energy: 0.43332703623561747
Energy: 0.3774719976029137
Energy: 0.4178012316567401
Energy: 0.37623314224666504
Energy: 0.4178012316567401
Energy: 0.4367022441729063
Energy: 0.42666517168956875
Energy: 0.3595739778225051
Energy: 0.42666517168956875
Energy: 0.3574464964355947
Energy: 0.42172095338616467
Energy: 0.3621623636514607
Energy: 0.4217209533873024
Energy: 0.35910063220315025
Energy: 0.4306049871186664
Energy: 0.35982666326703455
Energy: 0.4306049871192353
Energy: 0.36662268239845697
Energy: 0.4548637091034128
Energy: 0.3527048702975941
Energy: 0.4548637091034128
Energy: 0.3728598397442398
Energy: 0.4160042239177231
Energy: 0.36240672647422634
Energy: 0.41600422391715425
Energy: 0.36615969269049
Energy: 0.4241648326855952
Energy: 0.3625287989479498
Energy: 0.4241648326855952
Energy: 0.366108970111981
Energy: 0.42108304859823664
Energy: 0.3622884935624102
Energy: 0.4210830485988055
Energy: 0.3728317370795283
Energy: 0.4163733798614771
Energy: 0.3623189161927051
Energy: 0.4163733798614771
Energy: 0.36660088077023223
Energy: 0.4549126844580441
Energy: 0.3529194452209624
Energy: 0.4549126844580441
Energy: 0.3590060186878119
Energy: 0.4302240150405186
Energy: 0.35975161974194314
Energy: 0.4302240150405186
Energy: 0.3583930578112199
Energy: 0.42168630594249423
Energy: 0.37626222800327547
Energy: 0.4216863059436319
Energy: 0.4366803898420495
Energy: 0.4264802932355515
Energy: 0.35955886297573203
Energy: 0.42648029323612024
Energy: 0.37549223603416526
Energy: 0.4177541971558438
Energy: 0.37098298446633526
Energy: 0.4177541971558438
Energy: 0.4863598527572699
Energy: 0.43334282204234637
Energy: 0.35946862577458644
Energy: 0.4333428220429152
Energy: 0.3576409753019552
Energy: 0.4044789486212738
Energy: 0.35754645574765004
Energy: 0.4044789486218427
Energy: 0.46012640547260625
Energy: 0.4556557672208109
Energy: 0.3509589607305146
Energy: 0.4556557672208109
Energy: 0.3576495270287115
Energy: 0.4184411817887876
Energy: 0.4055541987638591
Energy: 0.41844118178935646
Energy: 0.42853207734955284
Energy: 0.44685191893171045
Energy: 0.3632343566027697
Energy: 0.44685191893171045
Energy: 0.35763743516006874
Energy: 0.4422170871546818
Energy: 0.4287536255215928
Energy: 0.4422170871546818
Energy: 0.45013457229484727
Energy: 0.3984042800678777
Energy: 0.3632945614571466
Energy: 0.3984042800678777
Energy: 0.35786881586707603
Energy: 0.44981736281553375
Energy: 0.47917597416196844
Energy: 0.44981736281553375
Energy: 0.45799725997373314
Energy: 0.42833546789304205
Energy: 0.35091383704759305
Energy: 0.42833546789304205

minimum gb energy = 0.35077227577657355 eV
minimum distance =  2.53409472431068 Angstroms
sigma value = 37


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

Energy: 0.3775857292844485
Energy: 0.40994455134416696
Energy: 0.557210187748119
Energy: 0.40994455134416696
Energy: 0.5042707473675988
Energy: 0.3931828534830409
Energy: 0.33998899696131535
Energy: 0.3931828534830409
Energy: 0.34525311986508406
Energy: 0.42030012123596183
Energy: 0.45543016869357467
Energy: 0.42030012123498317
Energy: 0.43763401987808187
Energy: 0.3983464742674173
Energy: 0.337987638589808
Energy: 0.3983464742674173
Energy: 0.33650483336811327
Energy: 0.3935191809268056
Energy: 0.4493572854895041
Energy: 0.3935191809268056
Energy: 0.39357494703767937
Energy: 0.4114060621864152
Energy: 0.3640113043053422
Energy: 0.4114060621864152
Energy: 0.34327760591161116
Energy: 0.43782519842523077
Energy: 0.48777014853324197
Energy: 0.43782519842523077
Energy: 0.435630576051487
Energy: 0.366439831267737
Energy: 0.3404591211858043
Energy: 0.366439831267737
Energy: 0.3403795294394476
Energy: 0.3930744247035355
Energy: 0.4454634105966302
Energy: 0.3930744247035355
Energy: 0.4549632962874686
Energy: 0.4133519541308356
Energy: 0.3638809953353581
Energy: 0.41335195412985687
Energy: 0.3454366939137915
Energy: 0.43542003536627727
Energy: 0.36620942975966914
Energy: 0.43542003536725593
Energy: 0.4109862055338804
Energy: 0.38328800714420547
Energy: 0.3378582110151351
Energy: 0.38328800714420547
Energy: 0.36316777242276216
Energy: 0.41138007046993746
Energy: 0.37444302308723326
Energy: 0.41138007046993746
Energy: 0.47660988636997614
Energy: 0.4364133203324003
Energy: 0.3420234858647063
Energy: 0.4364133203324003
Energy: 0.3769988080511544
Energy: 0.42269820151619936
Energy: 0.3380387098446326
Energy: 0.42269820151619936
Energy: 0.44272320924383746
Energy: 0.3915274575509693
Energy: 0.34028249200024663
Energy: 0.3915274575509693
Energy: 0.36315437193795
Energy: 0.4134187115010899
Energy: 0.3428902561799743
Energy: 0.4134187115010899
Energy: 0.3751937648382021
Energy: 0.4408177244277051
Energy: 0.34672427750796375
Energy: 0.4408177244277051
Energy: 0.33700852846045476
Energy: 0.38317890628221557
Energy: 0.3341306427448459
Energy: 0.38317890628221557
Energy: 0.33721676977504855
Energy: 0.40068841202076194
Energy: 0.3631092693073545
Energy: 0.40068841202076194

minimum gb energy = 0.3341306427448459 eV
minimum distance =  2.56551469680918 Angstroms
sigma value = 25


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

Energy: 0.3590668797149744
Energy: 0.3883120653107566
Energy: 0.5349765309835413
Energy: 0.3883120653107566
Energy: 0.5270607010554776
Energy: 0.3996977164071886
Energy: 0.3185091532168402
Energy: 0.3996977164071886
Energy: 0.3407954336612025
Energy: 0.3613133393541769
Energy: 0.5018565853855723
Energy: 0.3613133393549412
Energy: 0.4835808820620153
Energy: 0.38321561853267555
Energy: 0.3209672996570346
Energy: 0.38321561853267555
Energy: 0.32353111588158107
Energy: 0.399844934086141
Energy: 0.4132374693380956
Energy: 0.399844934086141
Energy: 0.4348951284698697
Energy: 0.39567210733342295
Energy: 0.3232619486361147
Energy: 0.39567210733342295
Energy: 0.31993126196059274
Energy: 0.3572472800917261
Energy: 0.4898331847047384
Energy: 0.3572472800917261
Energy: 0.42255003965874566
Energy: 0.3883112838199086
Energy: 0.3410147584564194
Energy: 0.3883112838199086
Energy: 0.3194432041187223
Energy: 0.4016463340551907
Energy: 0.5165201330040282
Energy: 0.4016463340551907
Energy: 0.511326595792627
Energy: 0.3750450115135564
Energy: 0.33228362900135117
Energy: 0.3750450115135564
Energy: 0.320064883920649
Energy: 0.3572685798138001
Energy: 0.49624967433075984
Energy: 0.3572685798138001
Energy: 0.5022081444647308
Energy: 0.39191386298013653
Energy: 0.340966308552735
Energy: 0.39191386298013653
Energy: 0.3219009806403317
Energy: 0.3813889793310357
Energy: 0.47134506998158393
Energy: 0.3813889793310357
Energy: 0.46287085680494444
Energy: 0.3848583453321119
Energy: 0.3232046830722333
Energy: 0.3848583453321119
Energy: 0.3232639161914217
Energy: 0.37150888358238304
Energy: 0.43439277914529195
Energy: 0.3715088835831472
Energy: 0.5234374286366863
Energy: 0.4135064460466763
Energy: 0.31927604958691896
Energy: 0.4135064460466763
Energy: 0.3433486976400437
Energy: 0.38775701452442246
Energy: 0.4807972785669394
Energy: 0.38775701452442246
Energy: 0.4671722969978979
Energy: 0.3893905638540648
Energy: 0.32013814827977816
Energy: 0.3893905638540648
Energy: 0.36133288247624756
Energy: 0.38624325254990965
Energy: 0.4066844910874471
Energy: 0.38624325254990965
Energy: 0.47199527349890397
Energy: 0.41353102694083227
Energy: 0.31882482198627865
Energy: 0.41353102694083227
Energy: 0.3435150625773257
Energy: 0.39261263639380095
Energy: 0.4544178244215071
Energy: 0.39261263639380095
Energy: 0.40971605358773905
Energy: 0.38551398981054313
Energy: 0.32444287777613756
Energy: 0.38551398981054313
Energy: 0.32493254578731096
Energy: 0.38055446862733
Energy: 0.43835056026218083
Energy: 0.38055446862733
Energy: 0.3392364421692357
Energy: 0.3937742981563911
Energy: 0.3230716764710882
Energy: 0.3937742981563911
Energy: 0.32220829354043934
Energy: 0.39704249407983944
Energy: 0.4898060955148664
Energy: 0.39704249408060366
Energy: 0.3163333077825137
Energy: 0.3918740117346978
Energy: 0.34383396340308847
Energy: 0.3918740117339336

minimum gb energy = 0.3163333077825137 eV
minimum distance =  2.46954949967057 Angstroms
sigma value = 41


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

Energy: 0.37145096409584744
Energy: 0.3523112692086372
Energy: 0.522661463116424
Energy: 0.3523112692086372
Energy: 0.5076349051127057
Energy: 0.41559990823109194
Energy: 0.29874546972824156
Energy: 0.41559990823109194
Energy: 0.303587064389615
Energy: 0.3393714884593986
Energy: 0.5306264313262787
Energy: 0.3393714884593986
Energy: 0.49684188291323833
Energy: 0.34177338908424654
Energy: 0.2986390223034478
Energy: 0.34177338908424654
Energy: 0.2955057734227831
Energy: 0.3607853723382478
Energy: 0.5564741212337716
Energy: 0.36078537233887437
Energy: 0.46485257071049096
Energy: 0.3744568386263045
Energy: 0.2986958628294855
Energy: 0.374456838626931
Energy: 0.29812330346634036
Energy: 0.3499499994067215
Energy: 0.5326374829097844
Energy: 0.34994999940734806
Energy: 0.4010853078753901
Energy: 0.3429120383670764
Energy: 0.2961920565653759
Energy: 0.3429120383664498
Energy: 0.300381202744575
Energy: 0.35820658234087205
Energy: 0.4806334419187787
Energy: 0.3582065823421251
Energy: 0.4884241805149408
Energy: 0.3391803620098846
Energy: 0.3041188196674009
Energy: 0.33918036201051105
Energy: 0.2979721844283187
Energy: 0.4160555272039502
Energy: 0.5083038858496641
Energy: 0.41605552720457667
Energy: 0.5252379066950064
Energy: 0.378569494338046
Energy: 0.37051758926820616
Energy: 0.37856949433741943
Energy: 0.30017141323120566
Energy: 0.39133702688778427
Energy: 0.522916562543983
Energy: 0.39133702688778427
Energy: 0.4896639665262871
Energy: 0.4167611494102755
Energy: 0.3041505715470325
Energy: 0.416761149410902
Energy: 0.29817044253166725
Energy: 0.34856182101004995
Energy: 0.4960347724667786
Energy: 0.34856182101004995
Energy: 0.48778935436961124
Energy: 0.38181971320697417
Energy: 0.2960525856071165
Energy: 0.38181971320697417
Energy: 0.3003577307280426
Energy: 0.35819489572771157
Energy: 0.4485521408949953
Energy: 0.358194895727085
Energy: 0.5281367113907118
Energy: 0.39536152565970395
Energy: 0.2985972254856436
Energy: 0.39536152565907734
Energy: 0.2980999166947777
Energy: 0.3423795738454221
Energy: 0.39775972070796667
Energy: 0.3423795738454221
Energy: 0.5629681778197604
Energy: 0.35833813959575833
Energy: 0.3004763956635335
Energy: 0.35833813959575833
Energy: 0.3058828274960618
Energy: 0.35776734496016077
Energy: 0.4248034116081913
Energy: 0.35776734496016077
Energy: 0.5205475802643346
Energy: 0.4213073864565713
Energy: 0.29866385749446567
Energy: 0.4213073864578244
Energy: 0.3705045002445353
Energy: 0.35651555570694826
Energy: 0.39426531840454593
Energy: 0.35651555570694826
Energy: 0.44554995449951074
Energy: 0.37667708860633625
Energy: 0.3006167096984937
Energy: 0.37667708860633625
Energy: 0.30608855187983786
Energy: 0.3803611350419818
Energy: 0.4764871744060513
Energy: 0.3803611350419818
Energy: 0.44532378617007035
Energy: 0.3712017774968872
Energy: 0.29862498627567624
Energy: 0.3712017774975137
Energy: 0.2980052518220393
Energy: 0.3819848620797308
Energy: 0.4880216915401702
Energy: 0.38198486207910426
Energy: 0.3855182953302615
Energy: 0.35679196702561783
Energy: 0.3009187787036911
Energy: 0.35679196702561783
Energy: 0.3003939531342716
Energy: 0.36216278173885336
Energy: 0.527565308623611
Energy: 0.3621627817394799
Energy: 0.2977928387515105
Energy: 0.3802837231967882
Energy: 0.3007883923929626
Energy: 0.3802837231967882
Energy: 0.30205426783930167
Energy: 0.3576472069558407
Energy: 0.4456292239970177
Energy: 0.3576472069558407
Energy: 0.2955107982379879
Energy: 0.35688029691024387
Energy: 0.3090646145027276
Energy: 0.35688029691024387

minimum gb energy = 0.2955057734227831 eV
minimum distance =  2.5050527794174 Angstroms
sigma value = 15


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

Energy: 0.3485374847987958
Energy: 0.39515382703602675
Energy: 0.5099129248664797
Energy: 0.39515382703549595
Energy: 0.5149959419384486
Energy: 0.36210272930796605
Energy: 0.28572213352377523
Energy: 0.36210272930743526
Energy: 0.29282914085397044
Energy: 0.32570651992278266
Energy: 0.5160770382747188
Energy: 0.3257065199222519
Energy: 0.4997509192607966
Energy: 0.35750244842655926
Energy: 0.28587807110843255
Energy: 0.35750244842655926
Energy: 0.283835745692213
Energy: 0.36400640226474285
Energy: 0.5383105470977921
Energy: 0.3640064022620891
Energy: 0.4917371089779584
Energy: 0.33192316763824486
Energy: 0.2859276656422159
Energy: 0.33192316763877566
Energy: 0.2853006752518582
Energy: 0.3298267366523917
Energy: 0.510789223488634
Energy: 0.3298267366534532
Energy: 0.524379717768161
Energy: 0.3296102184212818
Energy: 0.2857885057503021
Energy: 0.32961021842234334
Energy: 0.28720120928762766
Energy: 0.39082514692981357
Energy: 0.5018065664767032
Energy: 0.39082514692981357
Energy: 0.5044321174423555
Energy: 0.3354181846486199
Energy: 0.28421955511176256
Energy: 0.33541818464915063
Energy: 0.285448523487515
Energy: 0.3578528924744325
Energy: 0.5011970905091087
Energy: 0.3578528924739018
Energy: 0.4729737116531443
Energy: 0.3257355048361013
Energy: 0.2932212508885993
Energy: 0.3257355048361013
Energy: 0.2870073984954938
Energy: 0.39293059064608343
Energy: 0.5149454530334948
Energy: 0.3929305906455527
Energy: 0.463342984028532
Energy: 0.36072109570029176
Energy: 0.34793060552203403
Energy: 0.360721095699761
Energy: 0.285490883486389
Energy: 0.3614277822092649
Energy: 0.5151467644944887
Energy: 0.3614277822092649
Energy: 0.47442612266238793
Energy: 0.35079255602550674
Energy: 0.29321831433730866
Energy: 0.35079255602550674
Energy: 0.2869742323427
Energy: 0.37635836549805435
Energy: 0.49923686605093776
Energy: 0.3763583654975236
Energy: 0.5186962456841576
Energy: 0.3772366395439582
Energy: 0.28409967659348095
Energy: 0.3772366395439582
Energy: 0.2854083122474465
Energy: 0.33101218536226773
Energy: 0.47106212098442435
Energy: 0.331012185361737
Energy: 0.5115675667134989
Energy: 0.3509809299627372
Energy: 0.28590894121862204
Energy: 0.3509809299627372
Energy: 0.2869172441219269
Energy: 0.34821286083663294
Energy: 0.4491900586585495
Energy: 0.34821286083610214
Energy: 0.5139099208283853
Energy: 0.36729399727686035
Energy: 0.2891701787065581
Energy: 0.3672939972763296
Energy: 0.2853221887032816
Energy: 0.3337184681082083
Energy: 0.5086444330640764
Energy: 0.33371846810873906
Energy: 0.5237810296254032
Energy: 0.3318272565007392
Energy: 0.28584219071212186
Energy: 0.3318272565012699
Energy: 0.2945321175795353
Energy: 0.3476671815995819
Energy: 0.48024543196935265
Energy: 0.34766718160011256
Energy: 0.4982976105111648
Energy: 0.38866404041943264
Energy: 0.2888406636189687
Energy: 0.38866404041943264
Energy: 0.3482486426710059
Energy: 0.36350479337267405
Energy: 0.4644755374190142
Energy: 0.36350479337320485
Energy: 0.5163377538268058
Energy: 0.3532767836099128
Energy: 0.28569198729689116
Energy: 0.3532767836093821
Energy: 0.29440133221005277
Energy: 0.3840074138722612
Energy: 0.460687405751817
Energy: 0.3840074138722612
Energy: 0.4898010206388013
Energy: 0.352990166912528
Energy: 0.28886111217536137
Energy: 0.352990166912528
Energy: 0.2853195940628723
Energy: 0.3769110086487756
Energy: 0.5193935930400925
Energy: 0.3769110086487756
Energy: 0.47933024479820535
Energy: 0.33035083733882686
Energy: 0.28587437935690674
Energy: 0.3303508373372346
Energy: 0.2868177797024551
Energy: 0.4016389167333358
Energy: 0.5222873531063982
Energy: 0.4016389167333358
Energy: 0.4557009682239571
Energy: 0.34731756880265025
Energy: 0.2889026036673016
Energy: 0.34731756880265025
Energy: 0.28255806681478274
Energy: 0.3633199219806861
Energy: 0.5066398752985546
Energy: 0.3633199219806861
Energy: 0.50434494961673
Energy: 0.33266907825500197
Energy: 0.28746724005623797
Energy: 0.33266907825500197
Energy: 0.2868714232664227
Energy: 0.37385001555391856
Energy: 0.475180842574175
Energy: 0.37385001555338776

minimum gb energy = 0.28255806681478274 eV
minimum distance =  2.52930191933755 Angstroms
sigma value = 85


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

Energy: 0.3320867125173588
Energy: 0.3690341226895622
Energy: 0.4854975505627087
Energy: 0.3690341226895622
Energy: 0.5056342840726368
Energy: 0.32871282107964983
Energy: 0.26092921647010126
Energy: 0.32871282107872923
Energy: 0.3170968960246884
Energy: 0.30086270085437594
Energy: 0.48957294299271725
Energy: 0.30086270085437594
Energy: 0.4950856589275262
Energy: 0.3385444474292642
Energy: 0.26086786089131175
Energy: 0.3385444474292642
Energy: 0.27008487560386224
Energy: 0.28873086610251447
Energy: 0.5421439434744801
Energy: 0.28873086610297477
Energy: 0.48176638466968047
Energy: 0.31811446753819184
Energy: 0.2606358597566825
Energy: 0.31811446753819184
Energy: 0.2587803803708409
Energy: 0.3238734563455396
Energy: 0.488644681046563
Energy: 0.32387345634599995
Energy: 0.4757377769094412
Energy: 0.30979476488882535
Energy: 0.2608416712243073
Energy: 0.30979476488882535
Energy: 0.2604608519946213
Energy: 0.2937113736534171
Energy: 0.4809403976503026
Energy: 0.2937113736534171
Energy: 0.49191572066321415
Energy: 0.30803343315338777
Energy: 0.25919115509984136
Energy: 0.3080334331538481
Energy: 0.26121784128810177
Energy: 0.31834571002573275
Energy: 0.49995684991206674
Energy: 0.31834571002619305
Energy: 0.4900205343000219
Energy: 0.31112207212806414
Energy: 0.27038933107380814
Energy: 0.3111220721285245
Energy: 0.2606587689251742
Energy: 0.3210036149919739
Energy: 0.495831656457797
Energy: 0.3210036149919739
Energy: 0.45770298216897837
Energy: 0.30079858278389476
Energy: 0.3165048164132461
Energy: 0.30079858278389476
Energy: 0.26081232866663767
Energy: 0.32954422992323934
Energy: 0.5063545581041192
Energy: 0.32954422992323934
Energy: 0.447731526434408
Energy: 0.3286107199041945
Energy: 0.33158549653275227
Energy: 0.32861071990373414
Energy: 0.2603758467572093
Energy: 0.3239870727917309
Energy: 0.5062986237988202
Energy: 0.3239870727917309
Energy: 0.4583251203306877
Energy: 0.3213608267620742
Energy: 0.3164373529593076
Energy: 0.3213608267620742
Energy: 0.26083602017685326
Energy: 0.33758983922862323
Energy: 0.4943901003484975
Energy: 0.3375898392290836
Energy: 0.4962684634780267
Energy: 0.33376084351308893
Energy: 0.2703979936762853
Energy: 0.33376084351308893
Energy: 0.26032368202226164
Energy: 0.29378777959786123
Energy: 0.48117215847185413
Energy: 0.29378777959786123
Energy: 0.4893141958660526
Energy: 0.32463370694383004
Energy: 0.259191384688376
Energy: 0.32463370694383004
Energy: 0.2608014562179828
Energy: 0.3108697708143217
Energy: 0.47570097618293267
Energy: 0.31086977081388223
Energy: 0.4929690048978778
Energy: 0.36493501763064273
Energy: 0.26090424243709126
Energy: 0.36493501763154246
Energy: 0.26044289432125023
Energy: 0.29258320337616806
Energy: 0.48459495777553857
Energy: 0.29258320337570776
Energy: 0.5007472310334056
Energy: 0.3303727002713619
Energy: 0.26108644517424495
Energy: 0.3303727002713619
Energy: 0.27171136187537537
Energy: 0.31092944355379926
Energy: 0.48911722393592644
Energy: 0.310929443553339
Energy: 0.5025104187371945
Energy: 0.33495611307202183
Energy: 0.26090065158754616
Energy: 0.33495611307202183
Energy: 0.31668860635642176
Energy: 0.3209144556757784
Energy: 0.4732661153046163
Energy: 0.3209144556762388
Energy: 0.507281940434102
Energy: 0.34608020789695326
Energy: 0.261091279563429
Energy: 0.34608020789741356
Energy: 0.33183129642464043
Energy: 0.3286194296068976
Energy: 0.44747987325310545
Energy: 0.3286194296068976
Energy: 0.4958718229297815
Energy: 0.37151168056767897
Energy: 0.26087642457935556
Energy: 0.3715116805681393
Energy: 0.31677402121869114
Energy: 0.3031138037837222
Energy: 0.4567252867898717
Energy: 0.3031138037832619
Energy: 0.49438430772335185
Energy: 0.33728547212566884
Energy: 0.2611148770986284
Energy: 0.33728547212474824
Energy: 0.27161935933118736
Energy: 0.3331768143883935
Energy: 0.4657626105537895
Energy: 0.3331768143893142
Energy: 0.45536307633133766
Energy: 0.32666521542693777
Energy: 0.2608670126781369
Energy: 0.32666521542693777
Energy: 0.26035443026575905
Energy: 0.30372996693548854
Energy: 0.49006668180169677
Energy: 0.3037299669359489
Energy: 0.4751929081272278
Energy: 0.3090289665696243
Energy: 0.261044607254781
Energy: 0.3090289665700846
Energy: 0.2618561008689778
Energy: 0.35076034860529287
Energy: 0.4006775456177286
Energy: 0.35076034860575317
Energy: 0.37602326967907895
Energy: 0.3269669680935834
Energy: 0.25924157869071024
Energy: 0.3269669680935834
Energy: 0.2612370699714938
Energy: 0.31187343323814537
Energy: 0.4946118010088373
Energy: 0.31187343323814537
Energy: 0.4859638651241413
Energy: 0.31125527039028444
Energy: 0.2705312706667871
Energy: 0.31125527039028444
Energy: 0.26097846960482446
Energy: 0.34120729812715644
Energy: 0.487402123318996
Energy: 0.34120729812715644

minimum gb energy = 0.2587803803708409 eV
minimum distance =  2.56781677685479 Angstroms
sigma value = 113


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

Energy: 0.011719811555524182
Energy: 0.012234364097181266
Energy: 0.27399999942578546
Energy: 0.012234364097181266
Energy: 0.27401355491475615
Energy: 0.16711818010900223
Energy: 0.16681114264294133
Energy: 0.16711818010900223
Energy: 0.011719811555524182
Energy: 0.012234364097515483
Energy: 0.27399999942613934
Energy: 0.012234364097181266
Energy: 0.27401355491440227
Energy: 0.16711818010900223
Energy: 0.1668111426426071
Energy: 0.167118180108668
Energy: 0.011719811555524182
Energy: 0.012234364097181266
Energy: 0.27399999942613934
Energy: 0.012234364097181266
Energy: 0.27401355491475615
Energy: 0.16711818010900223
Energy: 0.16681114264294133
Energy: 0.16711818010900223

minimum gb energy = 0.011719811555524182 eV
minimum distance =  2.82582225497431 Angstroms
sigma value = 1