Model name: model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: -0.0307342631051472 eV

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

Energy: 0.008165814309304888
Energy: 0.19240757087516294
Energy: 0.008165814309304888
Energy: 0.19240757087541593
Energy: 0.008165814309543825
Energy: 0.19240757087541593
Energy: 0.19240757087565488
Energy: 0.38547960978801676
Energy: 0.19240757087541593
Energy: 0.3854796097877778
Energy: 0.19240757087541593
Energy: 0.3854796097882698
Energy: 0.008165814309304888
Energy: 0.19240757087541593
Energy: 0.008165814309304888
Energy: 0.19240757087541593
Energy: 0.008165814309543825
Energy: 0.19240757087516294
Energy: 0.19240757087541593
Energy: 0.38547960978852275
Energy: 0.19240757087541593
Energy: 0.38547960978876167
Energy: 0.19240757087565488
Energy: 0.3854796097877778
Energy: 0.008165814309543825
Energy: 0.19240757087516294
Energy: 0.008165814309543825
Energy: 0.19240757087541593
Energy: 0.008165814309543825
Energy: 0.19240757087516294
Energy: 0.19240757087541593
Energy: 0.3854796097882698
Energy: 0.19240757087541593
Energy: 0.38547960978876167
Energy: 0.19240757087541593
Energy: 0.38547960978876167

minimum gb energy = 0.008165814309304888 eV
minimum distance =  2.55114754150596 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.45834819055701614
Energy: 0.4437477420998548
Energy: 0.45834819055701614
Energy: 0.4437477420998548
Energy: 0.45834819055640713
Energy: 0.4437477420998548
Energy: 0.4716936900162921
Energy: 0.4352052012467053
Energy: 0.4716936900169011
Energy: 0.4352052012467053
Energy: 0.4716936900169011
Energy: 0.4352052012467053
Energy: 0.4426479042385565
Energy: 0.4516243600201487
Energy: 0.4426479042391655
Energy: 0.4516243600201487
Energy: 0.4426479042391655
Energy: 0.45162436001953976
Energy: 0.4842570016720285
Energy: 0.4306343962784707
Energy: 0.4842570016708106
Energy: 0.4306343962778617
Energy: 0.4842570016714195
Energy: 0.4306343962784707
Energy: 0.446905799088578
Energy: 0.4654533729385258
Energy: 0.44690579908918704
Energy: 0.4654533729391348
Energy: 0.44690579908918704
Energy: 0.4654533729391348
Energy: 0.4529065400227652
Energy: 0.42402652580707034
Energy: 0.4529065400233465
Energy: 0.42402652580707034
Energy: 0.4529065400233465
Energy: 0.42402652580646133
Energy: 0.4443233246501116
Energy: 0.4524154441751155
Energy: 0.4443233246495026
Energy: 0.45241544417450646
Energy: 0.4443233246501116
Energy: 0.45241544417389745
Energy: 0.43579338928993705
Energy: 0.47748297659751576
Energy: 0.43579338928993705
Energy: 0.47748297659751576
Energy: 0.43579338928932804
Energy: 0.47748297659751576
Energy: 0.4554842134034037
Energy: 0.44841867327935453
Energy: 0.45548421340279477
Energy: 0.44841867327935453
Energy: 0.4554842134034037
Energy: 0.44841867327935453
Energy: 0.42490129154443274
Energy: 0.4740262890227172
Energy: 0.4249012915438238
Energy: 0.4740262890221083
Energy: 0.42490129154443274
Energy: 0.4740262890221083
Energy: 0.4720187130813127
Energy: 0.42345088690843086
Energy: 0.4720187130807037
Energy: 0.42345088690843086
Energy: 0.4720187130819217
Energy: 0.42345088690843086
Energy: 0.4284570817287449
Energy: 0.46914083313392924
Energy: 0.4284570817287449
Energy: 0.46914083313392924
Energy: 0.4284570817287449
Energy: 0.4691408331345382
Energy: 0.4617089089885529
Energy: 0.43050642218717283
Energy: 0.4617089089885529
Energy: 0.43050642218717283
Energy: 0.46170890898794387
Energy: 0.43050642218717283
Energy: 0.43059374783312804
Energy: 0.4496614007602612
Energy: 0.4305937478325191
Energy: 0.4496614007602612
Energy: 0.4305937478325191
Energy: 0.4496614007596523
Energy: 0.48755458098333865
Energy: 0.42888478276599473
Energy: 0.48755458098272964
Energy: 0.42888478276599473
Energy: 0.48755458098333865
Energy: 0.42888478276599473
Energy: 0.4841460698053082
Energy: 0.4602196366685618
Energy: 0.4841460698053082
Energy: 0.4602196366685618
Energy: 0.48414606980469926
Energy: 0.4602196366685618
Energy: 0.44249396798541657
Energy: 0.446605333385159
Energy: 0.44249396798541657
Energy: 0.446605333385159
Energy: 0.44249396798541657
Energy: 0.446605333385159
Energy: 0.4418259532991304
Energy: 0.44623815933577704
Energy: 0.4418259532991304
Energy: 0.44623815933577704
Energy: 0.4418259532997394
Energy: 0.44623815933577704
Energy: 0.4276404768495601
Energy: 0.4309116691068666
Energy: 0.42764047685077805
Energy: 0.43091166910747564
Energy: 0.42764047685077805
Energy: 0.4309116691068666
Energy: 0.45946236121744605
Energy: 0.4271885295627829
Energy: 0.4594623612180549
Energy: 0.42718852956217396
Energy: 0.45946236121744605
Energy: 0.42718852956217396
Energy: 0.43579901831420603
Energy: 0.4673718776968899
Energy: 0.435799018314815
Energy: 0.46737187769749894
Energy: 0.43579901831603296
Energy: 0.46737187769810795
Energy: 0.4647035765241741
Energy: 0.44673932962071133
Energy: 0.4647035765247831
Energy: 0.44673932962071133
Energy: 0.4647035765241741
Energy: 0.44673932962071133
Energy: 0.43083877397263515
Energy: 0.47787745107007396
Energy: 0.4308387739738531
Energy: 0.47787745107007396
Energy: 0.43083877397263515
Energy: 0.47787745107007396

minimum gb energy = 0.42345088690843086 eV
minimum distance =  2.63669005551288 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.4833329241611075
Energy: 0.4638747995740366
Energy: 0.4654373097966723
Energy: 0.46387479957438305
Energy: 0.4833329241611075
Energy: 0.4638747995740366
Energy: 0.4778400776438557
Energy: 0.4271356657314781
Energy: 0.47784007764593406
Energy: 0.42713566573113176
Energy: 0.4778400776438557
Energy: 0.42713566573286366
Energy: 0.4376622107355228
Energy: 0.42820894531489384
Energy: 0.4376622107358692
Energy: 0.4282089453145475
Energy: 0.4376622107358692
Energy: 0.42820894531766496
Energy: 0.48485899872726795
Energy: 0.44807397160510903
Energy: 0.48485899872657523
Energy: 0.44807397160510903
Energy: 0.48485899872726795
Energy: 0.44807397160684087
Energy: 0.4534567253266883
Energy: 0.4614652399291509
Energy: 0.45345672532391723
Energy: 0.4614652399291509
Energy: 0.4534567253266883
Energy: 0.4614652399305364
Energy: 0.43607836927739574
Energy: 0.43574879573006414
Energy: 0.43607836927808846
Energy: 0.43574879573006414
Energy: 0.43607836927704935
Energy: 0.43574879572902503
Energy: 0.46477677012927093
Energy: 0.4432573306729083
Energy: 0.4647767701282317
Energy: 0.44325733067256184
Energy: 0.46477677012927093
Energy: 0.44325733067186907
Energy: 0.42357439953469156
Energy: 0.4865793721243056
Energy: 0.42357439953711634
Energy: 0.4865793721243056
Energy: 0.42357439953469156
Energy: 0.4865793721256912
Energy: 0.4376617273617483
Energy: 0.43668946550732085
Energy: 0.4376617273627874
Energy: 0.4366894655076673
Energy: 0.4376617273617483
Energy: 0.4366894655076673
Energy: 0.4400430846307586
Energy: 0.4932184786060206
Energy: 0.44004295642538627
Energy: 0.4932184786060206
Energy: 0.4400430846307586
Energy: 0.4932184786060206
Energy: 0.4907086293781498
Energy: 0.43838206570209404
Energy: 0.49070862937918897
Energy: 0.43838206570244037
Energy: 0.4907086293781498
Energy: 0.4383820657027868
Energy: 0.4357374590110818
Energy: 0.4630336408168292
Energy: 0.43573746987240153
Energy: 0.4630336408168292
Energy: 0.4357374590110818
Energy: 0.46303364081856113
Energy: 0.4815985423697421
Energy: 0.43646060796952163
Energy: 0.4815979684966314
Energy: 0.4364606079698681
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Energy: 0.4364606079705608
Energy: 0.47669091032323047
Energy: 0.4743131817633096
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Energy: 0.47669091032323047
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Energy: 0.4651250731683916
Energy: 0.4278912071776466
Energy: 0.4651250731680452
Energy: 0.4278912071776466
Energy: 0.4651250731683916
Energy: 0.42789120717799306
Energy: 0.4357735981298194
Energy: 0.42931658176241827
Energy: 0.4357735981301658
Energy: 0.42931658176241827
Energy: 0.4357735981301658
Energy: 0.4293165817634575
Energy: 0.4633342180931274
Energy: 0.4466502287690876
Energy: 0.4633342180934738
Energy: 0.4466502287694339
Energy: 0.4633342180934738
Energy: 0.44665022877116595
Energy: 0.4501461625819421
Energy: 0.43590014984852743
Energy: 0.4501461625781319
Energy: 0.4359001498488739
Energy: 0.4501461625819421
Energy: 0.43590014985060577
Energy: 0.4403748237556816
Energy: 0.44276505927686344
Energy: 0.4403748237518713
Energy: 0.4427650592772098
Energy: 0.4403748237556816
Energy: 0.44276505927513143
Energy: 0.46216945936099874
Energy: 0.4409839270308469
Energy: 0.4621694593603059
Energy: 0.44098392703050043
Energy: 0.4621694593606523
Energy: 0.4409839270308469
Energy: 0.42137223253052747
Energy: 0.4816507646353337
Energy: 0.42137223252948836
Energy: 0.4816507646353337
Energy: 0.42137223253052747
Energy: 0.4816507646370656
Energy: 0.42810437445316996
Energy: 0.4371939137564847
Energy: 0.4281043744545555
Energy: 0.4371939137564847
Energy: 0.42810437445282357
Energy: 0.43719391375683114
Energy: 0.43702405884975887
Energy: 0.512921539615304
Energy: 0.437042241848226
Energy: 0.512921539615304
Energy: 0.43702405885010515
Energy: 0.5129215396159966
Energy: 0.49241419175579143
Energy: 0.4508039629690003
Energy: 0.49241419175579143
Energy: 0.4508039629690003
Energy: 0.49241419175579143
Energy: 0.4508039629707323
Energy: 0.4375462364752999
Energy: 0.43702938613316433
Energy: 0.43778144501707106
Energy: 0.43702938613316433
Energy: 0.4375462364752999
Energy: 0.4370293861317788
Energy: 0.47952713464248276
Energy: 0.46772016421055884
Energy: 0.46275320597839736
Energy: 0.46772016421055884
Energy: 0.47952713464317553
Energy: 0.46772016421194446
Energy: 0.48629652103838644
Energy: 0.45754337483817276
Energy: 0.4736022904378834
Energy: 0.45754337483748
Energy: 0.48629652103838644
Energy: 0.45754337483748
Energy: 0.44014268239342724
Energy: 0.44366498175402325
Energy: 0.44014268239654475
Energy: 0.44366498175402325
Energy: 0.44014268239308085
Energy: 0.44366498175298413
Energy: 0.4925845628391043
Energy: 0.42870127551155307
Energy: 0.49258456283771873
Energy: 0.42870127551155307
Energy: 0.4925845628394506
Energy: 0.42870127550982107
Energy: 0.4372739871447536
Energy: 0.489663594788718
Energy: 0.4372739871430216
Energy: 0.48966359478906446
Energy: 0.4372739871444072
Energy: 0.4896635947852541
Energy: 0.4507766302540471
Energy: 0.436718745386405
Energy: 0.45077663025577897
Energy: 0.4367187453860586
Energy: 0.4507766302540471
Energy: 0.43671874538536576
Energy: 0.4347208363980059
Energy: 0.4642402606759349
Energy: 0.4347208363969668
Energy: 0.4642402606755885
Energy: 0.4347208363980059
Energy: 0.4642402606755885
Energy: 0.46182541002171895
Energy: 0.440974022981775
Energy: 0.4618254100210262
Energy: 0.440974022981775
Energy: 0.46182541002171895
Energy: 0.44097402298212135
Energy: 0.4280741029091764
Energy: 0.4636328061916934
Energy: 0.4280741029077909
Energy: 0.46363280619273256
Energy: 0.42807410290883013
Energy: 0.46363280618926866
Energy: 0.428365784850508
Energy: 0.4358284339397066
Energy: 0.42836578484808324
Energy: 0.4358284339393602
Energy: 0.4283657848501616
Energy: 0.4358284339397066
Energy: 0.44771788814353936
Energy: 0.4623231234287458
Energy: 0.44771788814353936
Energy: 0.46232312342909226
Energy: 0.44771788814353936
Energy: 0.4623231234318633
Energy: 0.4358039680332521
Energy: 0.45012203526281946
Energy: 0.4358054172160265
Energy: 0.4501220352624731
Energy: 0.4358039680332521
Energy: 0.45012203526351224
Energy: 0.4462096808772159
Energy: 0.44344709191122705
Energy: 0.44676567049252164
Energy: 0.44344709191122705
Energy: 0.44620968087652313
Energy: 0.4434470919088024
Energy: 0.47653147232312143
Energy: 0.4741516206949524
Energy: 0.47653126904932347
Energy: 0.4741516206949524
Energy: 0.47653147232312143
Energy: 0.4741516206939132
Energy: 0.4887386368156891
Energy: 0.43329224020195967
Energy: 0.48873863681742097
Energy: 0.43329224020195967
Energy: 0.48873863681534263
Energy: 0.433292240204038
Energy: 0.4357590956745352
Energy: 0.43544137362463203
Energy: 0.4357590956755743
Energy: 0.43544137362463203
Energy: 0.4357590956745352
Energy: 0.43544137362948143

minimum gb energy = 0.42137223252948836 eV
minimum distance =  2.68030812291204 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.4449259940597484
Energy: 0.4392365304081079
Energy: 0.4449259940597484
Energy: 0.4392365304089104
Energy: 0.4449259940589458
Energy: 0.4392365304081079
Energy: 0.46102213163437145
Energy: 0.43925359783734563
Energy: 0.46102213163437145
Energy: 0.43925359783734563
Energy: 0.46102213163517397
Energy: 0.43925359783734563
Energy: 0.42867627428573224
Energy: 0.4415768550887027
Energy: 0.42867627428573224
Energy: 0.4415768550887027
Energy: 0.42867627428573224
Energy: 0.4415768550887027
Energy: 0.4326569929275468
Energy: 0.4195621502402785
Energy: 0.4326569929275468
Energy: 0.4195621502394759
Energy: 0.4326569929275468
Energy: 0.4195621502394759
Energy: 0.45554897279946965
Energy: 0.42728988093127784
Energy: 0.45554897279866713
Energy: 0.4272898809304753
Energy: 0.45554897279866713
Energy: 0.42728988093127784
Energy: 0.4694710835286952
Energy: 0.4280210877439157
Energy: 0.4694710835286952
Energy: 0.4280210877439157
Energy: 0.4694710835286952
Energy: 0.4280210877439157
Energy: 0.4428820607782687
Energy: 0.43234645724384546
Energy: 0.4428820607782687
Energy: 0.43234645724384546
Energy: 0.4428820607774662
Energy: 0.43234645724384546
Energy: 0.4234856505862472
Energy: 0.42939104020754826
Energy: 0.4234856505862472
Energy: 0.42939104020754826
Energy: 0.42348565058544463
Energy: 0.42939104020754826
Energy: 0.4958327150455661
Energy: 0.41693493796894876
Energy: 0.4958327150455661
Energy: 0.41693493796894876
Energy: 0.49583271504476345
Energy: 0.41693493796894876
Energy: 0.4234353022210288
Energy: 0.46792656629198204
Energy: 0.4234353022210288
Energy: 0.4679265662935871
Energy: 0.4234353022210288
Energy: 0.46792656629198204
Energy: 0.46839188634179735
Energy: 0.4199291618895958
Energy: 0.4683918863409948
Energy: 0.4199291618895958
Energy: 0.4683918863409948
Energy: 0.4199291618887932
Energy: 0.4461829882233577
Energy: 0.44068205740271776
Energy: 0.4461829882233577
Energy: 0.44068205740271776
Energy: 0.4461829882233577
Energy: 0.4406820574019152
Energy: 0.46061211936460206
Energy: 0.4372326403222465
Energy: 0.46061211936460206
Energy: 0.4372326403222465
Energy: 0.4606121193637996
Energy: 0.4372326403222465
Energy: 0.42519133981807333
Energy: 0.42301835049097974
Energy: 0.42519133981807333
Energy: 0.42301835049097974
Energy: 0.42519133981807333
Energy: 0.42301835049097974
Energy: 0.43461270745086417
Energy: 0.4371931934182238
Energy: 0.43461270745086417
Energy: 0.4371931934182238
Energy: 0.43461270745086417
Energy: 0.4371931934182238
Energy: 0.455590952513124
Energy: 0.4279429208860859
Energy: 0.4555909525139266
Energy: 0.4279429208868885
Energy: 0.4555909525139266
Energy: 0.4279429208868885
Energy: 0.46652407759877706
Energy: 0.4813090325530751
Energy: 0.4665240775995797
Energy: 0.4813090325530751
Energy: 0.4665240775995797
Energy: 0.4813090325530751
Energy: 0.44083959165410785
Energy: 0.4286774580302535
Energy: 0.4408395916533054
Energy: 0.4286774580302535
Energy: 0.4408395916533054
Energy: 0.4286774580302535

minimum gb energy = 0.41693493796894876 eV
minimum distance =  2.54970916525149 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.3686471093097123
Energy: 0.37738348223036605
Energy: 0.39563446280343406
Energy: 0.43513764449486875
Energy: 0.3956344628043862
Energy: 0.43513764449486875
Energy: 0.39563446280248193
Energy: 0.43513764449486875
Energy: 0.36388232882904414
Energy: 0.43459329536920344
Energy: 0.36388232882904414
Energy: 0.43459329536920344
Energy: 0.36388232882904414
Energy: 0.43459329536920344
Energy: 0.37893368174346465
Energy: 0.36425486213979186
Energy: 0.3789336817420364
Energy: 0.36425486213931574
Energy: 0.3789336817415604
Energy: 0.36425486213931574
Energy: 0.3578206012345894
Energy: 0.36721331458061834
Energy: 0.3578206012350654
Energy: 0.36721331458061834
Energy: 0.3578206012336373
Energy: 0.3672133145810944
Energy: 0.35782848615357254
Energy: 0.3673805268796997
Energy: 0.35782848615404855
Energy: 0.3673805268796997
Energy: 0.3578284861545246
Energy: 0.3673805268796997
Energy: 0.3788477324029527
Energy: 0.3642544746290806
Energy: 0.37884773240104846
Energy: 0.3642544746295567
Energy: 0.37884773240104846
Energy: 0.3642544746290806
Energy: 0.36389088773440004
Energy: 0.4361337551450598
Energy: 0.36389088773440004
Energy: 0.4361337551450598
Energy: 0.36389088773440004
Energy: 0.4361337551450598
Energy: 0.39568514799994425
Energy: 0.4351828283007624
Energy: 0.3956851480008964
Energy: 0.4351828283007624
Energy: 0.39568514799994425
Energy: 0.4351828283007624
Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.36864710930923617
Energy: 0.37738348222989
Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.3956344628039102
Energy: 0.43513764449486875
Energy: 0.3956344628015298
Energy: 0.43513764449486875
Energy: 0.39563446280295805
Energy: 0.43513764449486875
Energy: 0.36388232882904414
Energy: 0.43459329536825125
Energy: 0.36388232882904414
Energy: 0.4345932953687273
Energy: 0.3638823288285681
Energy: 0.4345932953687273
Energy: 0.37893368174251246
Energy: 0.36425486213931574
Energy: 0.3789336817415604
Energy: 0.36425486213931574
Energy: 0.3789336817415604
Energy: 0.36425486213979186
Energy: 0.3578206012326851
Energy: 0.3672133145815704
Energy: 0.3578206012341133
Energy: 0.3672133145810944
Energy: 0.3578206012345894
Energy: 0.3672133145815704
Energy: 0.35782848615357254
Energy: 0.3673805268796997
Energy: 0.3578284861550007
Energy: 0.3673805268796997
Energy: 0.35782848615357254
Energy: 0.3673805268796997
Energy: 0.3788477324034288
Energy: 0.3642544746295567
Energy: 0.3788477324005724
Energy: 0.3642544746295567
Energy: 0.37884773240200054
Energy: 0.3642544746295567
Energy: 0.3638908877348761
Energy: 0.43613375514648806
Energy: 0.36389088773440004
Energy: 0.4361337551450598
Energy: 0.36389088773440004
Energy: 0.43613375514601194
Energy: 0.3956851480013725
Energy: 0.4351828283007624
Energy: 0.3956851480008964
Energy: 0.4351828283007624
Energy: 0.3956851480004204
Energy: 0.4351828283007624
Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.3686471093097123
Energy: 0.37738348222989
Energy: 0.39563446280343406
Energy: 0.43513764449486875
Energy: 0.39563446280248193
Energy: 0.43513764449486875
Energy: 0.39563446280343406
Energy: 0.43513764449486875
Energy: 0.36388232882904414
Energy: 0.43459329536920344
Energy: 0.36388232882904414
Energy: 0.4345932953696794
Energy: 0.36388232882904414
Energy: 0.4345932953696794
Energy: 0.3789336817420364
Energy: 0.36425486213979186
Energy: 0.3789336817415604
Energy: 0.36425486213931574
Energy: 0.3789336817415604
Energy: 0.36425486213979186
Energy: 0.3578206012350654
Energy: 0.36721331458061834
Energy: 0.3578206012345894
Energy: 0.36721331458061834
Energy: 0.3578206012355415
Energy: 0.3672133145815704
Energy: 0.3578284861526204
Energy: 0.3673805268796997
Energy: 0.3578284861545246
Energy: 0.3673805268796997
Energy: 0.3578284861526204
Energy: 0.36738052688017575
Energy: 0.37884773240247666
Energy: 0.3642544746290806
Energy: 0.37884773240200054
Energy: 0.3642544746295567
Energy: 0.3788477324015246
Energy: 0.3642544746295567
Energy: 0.3638908877348761
Energy: 0.43613375514648806
Energy: 0.36389088773440004
Energy: 0.43613375514601194
Energy: 0.3638908877348761
Energy: 0.43613375514648806
Energy: 0.3956851480004204
Energy: 0.4351828283007624
Energy: 0.3956851480018485
Energy: 0.4351828283007624
Energy: 0.3956851480013725
Energy: 0.4351828283007624
Energy: 0.36864710930923617
Energy: 0.37738348222989
Energy: 0.36864710930923617
Energy: 0.37738348222989
Energy: 0.36864710930923617
Energy: 0.37738348222989
Energy: 0.3956344628039102
Energy: 0.43513764449486875
Energy: 0.39563446280343406
Energy: 0.43513764449486875
Energy: 0.3956344628020059
Energy: 0.43513764449486875
Energy: 0.3638823288295202
Energy: 0.4345932953687273
Energy: 0.36388232882904414
Energy: 0.43459329536920344
Energy: 0.36388232882904414
Energy: 0.43459329536920344

minimum gb energy = 0.3578206012326851 eV
minimum distance =  2.60681489882173 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.36228115654646176
Energy: 0.34647265279889533
Energy: 0.36228115654646176
Energy: 0.34647265279889533
Energy: 0.36228115654646176
Energy: 0.34647265279889533
Energy: 0.37093872799510863
Energy: 0.3659675575400367
Energy: 0.37093872799627475
Energy: 0.3659675575400367
Energy: 0.37093872799744093
Energy: 0.3659675575400367
Energy: 0.3483935550895254
Energy: 0.4065131189065851
Energy: 0.3483935550895254
Energy: 0.4065131189065851
Energy: 0.3483935550895254
Energy: 0.4065131189065851
Energy: 0.38808752836119453
Energy: 0.34125024398281545
Energy: 0.3880875283623606
Energy: 0.34125024398281545
Energy: 0.3880875283635267
Energy: 0.34125024398281545
Energy: 0.41881050367152134
Energy: 0.3407315059479452
Energy: 0.4188105036726874
Energy: 0.3407315059479452
Energy: 0.4188105036726874
Energy: 0.3407315059479452
Energy: 0.40283477611755303
Energy: 0.424701578721699
Energy: 0.40283477611755303
Energy: 0.42470157872053294
Energy: 0.40283477611755303
Energy: 0.42470157872053294
Energy: 0.3399385254534337
Energy: 0.36580123642549867
Energy: 0.33993852545226766
Energy: 0.36580123642549867
Energy: 0.33993852545226766
Energy: 0.36580123642549867
Energy: 0.36244532777620736
Energy: 0.3485743145002819
Energy: 0.3624453277773734
Energy: 0.3485743145002819
Energy: 0.36244532777620736
Energy: 0.3485743145002819
Energy: 0.3903754933076283
Energy: 0.3611600501910817
Energy: 0.3903754933076283
Energy: 0.3611600501922478
Energy: 0.3903754933076283
Energy: 0.3611600501910817
Energy: 0.3895627352160999
Energy: 0.4123052965012748
Energy: 0.38956273521726603
Energy: 0.4123052965012748
Energy: 0.3895627352160999
Energy: 0.4123052965012748
Energy: 0.40544906682980747
Energy: 0.3404116191388471
Energy: 0.4054490668286413
Energy: 0.3404116191388471
Energy: 0.38874061197771814
Energy: 0.34041161914001317
Energy: 0.41927098285700254
Energy: 0.38958835932018615
Energy: 0.41927098285700254
Energy: 0.38958835932018615
Energy: 0.41927098285700254
Energy: 0.38958835932018615

minimum gb energy = 0.33993852545226766 eV
minimum distance =  2.55236100214724 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.3561483340527107
Energy: 0.3496682660883707
Energy: 0.35614833405303836
Energy: 0.3496682660883707
Energy: 0.35614833405238305
Energy: 0.34966826608869833
Energy: 0.35488119999959167
Energy: 0.3508190272657611
Energy: 0.3548811999982811
Energy: 0.3340611436656238
Energy: 0.35488119999697054
Energy: 0.3340611436656238
Energy: 0.31419548884474946
Energy: 0.3929825127848345
Energy: 0.31419548884540477
Energy: 0.3929825127858175
Energy: 0.31419548884474946
Energy: 0.3929825127861451
Energy: 0.32505592556117757
Energy: 0.31701387093563244
Energy: 0.3250559255615052
Energy: 0.31701387093563244
Energy: 0.32505592556117757
Energy: 0.31701387093563244
Energy: 0.35014406016299304
Energy: 0.33305986242810887
Energy: 0.35014406016299304
Energy: 0.3330598624284365
Energy: 0.35014406016266536
Energy: 0.3330598624284365
Energy: 0.34945671527492284
Energy: 0.35929174069891184
Energy: 0.3494567152755782
Energy: 0.3391164927748794
Energy: 0.3494567152745952
Energy: 0.3391164927748794
Energy: 0.32974745160331465
Energy: 0.3663454945801844
Energy: 0.3297474516046252
Energy: 0.3663454945801844
Energy: 0.32974745160265934
Energy: 0.3663454945801844
Energy: 0.30253979304295026
Energy: 0.39386549770910173
Energy: 0.30253979304295026
Energy: 0.3938654977094294
Energy: 0.30253979304295026
Energy: 0.39386549770910173
Energy: 0.3186432772498806
Energy: 0.33313708385230856
Energy: 0.31864327724725944
Energy: 0.33313708385230856
Energy: 0.3186432772492253
Energy: 0.333137083850998
Energy: 0.349936592268488
Energy: 0.3448563103505919
Energy: 0.349936592268488
Energy: 0.34485631033391156
Energy: 0.34993659226979856
Energy: 0.34485631032801384
Energy: 0.325721454290019
Energy: 0.313541542245852
Energy: 0.325721454290019
Energy: 0.31354154224617964
Energy: 0.3257214542893637
Energy: 0.31354154224617964
Energy: 0.32905715805842917
Energy: 0.3667252979229961
Energy: 0.32905715805711855
Energy: 0.3667252979236514
Energy: 0.3290571580581015
Energy: 0.366725297923979
Energy: 0.34499946593085357
Energy: 0.33358143739361085
Energy: 0.3449994659311812
Energy: 0.3335814373939385
Energy: 0.3449994659305259
Energy: 0.33358143739361085
Energy: 0.362694862294141
Energy: 0.326462612065431
Energy: 0.362694862294141
Energy: 0.326462612065431
Energy: 0.362694862294141
Energy: 0.3264626120651033
Energy: 0.3178042539074035
Energy: 0.3527257009223264
Energy: 0.3178042539074035
Energy: 0.3527257009223264
Energy: 0.3178042539074035
Energy: 0.3527257009223264
Energy: 0.3152517893136856
Energy: 0.33904490949925525
Energy: 0.31525178931270265
Energy: 0.3390449094989276
Energy: 0.31525178931270265
Energy: 0.33904490949925525
Energy: 0.3861339471990206
Energy: 0.3121977490538378
Energy: 0.3861339471996759
Energy: 0.31219774905842484
Energy: 0.3861339472000036
Energy: 0.31219774905580366
Energy: 0.32335464899046096
Energy: 0.3326588543499983
Energy: 0.32335464899144395
Energy: 0.3326588543499983
Energy: 0.32335464899111627
Energy: 0.33265885434934306
Energy: 0.3057762582838328
Energy: 0.4989694873857018
Energy: 0.3057762582828499
Energy: 0.4989694873857018
Energy: 0.3057762582828499
Energy: 0.4989694873860294
Energy: 0.45054867307158064
Energy: 0.34395994646744155
Energy: 0.45054867307190827
Energy: 0.32794116532814627
Energy: 0.4505486730712529
Energy: 0.32794116532781864
Energy: 0.3057761198921444
Energy: 0.4990389295986396
Energy: 0.30577611989279974
Energy: 0.4990389295986396
Energy: 0.3057761198921444
Energy: 0.4990389295986396
Energy: 0.3233813174618514
Energy: 0.33264858804380987
Energy: 0.32338131746217896
Energy: 0.33264858804380987
Energy: 0.3233813174618514
Energy: 0.3326485880434822
Energy: 0.38622546953963044
Energy: 0.31222778973383275
Energy: 0.38622546953963044
Energy: 0.31222778973350507
Energy: 0.38622546953864756
Energy: 0.31222778973383275
Energy: 0.3152708562420234
Energy: 0.3470487074573794
Energy: 0.315270856242351
Energy: 0.34704870745770705
Energy: 0.3152708562413681
Energy: 0.3470487074580347
Energy: 0.3177940428038418
Energy: 0.35247701557632666
Energy: 0.3177940428038418
Energy: 0.35247701557665434
Energy: 0.3177940428035142
Energy: 0.35247701557665434
Energy: 0.36270978059071585
Energy: 0.34547550216419737
Energy: 0.36270978059071585
Energy: 0.34547550216321443
Energy: 0.36270978059071585
Energy: 0.34547550216649087
Energy: 0.34360520931163707
Energy: 0.33353801468162714
Energy: 0.34360520931065414
Energy: 0.3335380146819548
Energy: 0.3436052093113094
Energy: 0.33353801468162714
Energy: 0.3290667682444715
Energy: 0.33649118463969896
Energy: 0.3290667682444715
Energy: 0.33649118463969896
Energy: 0.32906676824479913
Energy: 0.33649118463969896
Energy: 0.32573264037606275
Energy: 0.3134031004899137
Energy: 0.32573264037606275
Energy: 0.31340310049024134
Energy: 0.3257326403763904
Energy: 0.31340310049024134
Energy: 0.3498942642171131
Energy: 0.3216394758190219
Energy: 0.34989426421809605
Energy: 0.3216394758196772
Energy: 0.3498942642174407
Energy: 0.32163947581640073
Energy: 0.3185989620495633
Energy: 0.3330298938843066
Energy: 0.3185989620495633
Energy: 0.3330298938833236
Energy: 0.31859896204989097
Energy: 0.3330298938833236
Energy: 0.302397821448175
Energy: 0.39390519611680497
Energy: 0.302397821448175
Energy: 0.3939051961164774
Energy: 0.3023978214475197
Energy: 0.3939051961161497
Energy: 0.3298129721955982
Energy: 0.36632322913814586
Energy: 0.32981297219527056
Energy: 0.36632322913814586
Energy: 0.3298129721949429
Energy: 0.36632322913847354
Energy: 0.3494350206892385
Energy: 0.3387306571875223
Energy: 0.3494350206885832
Energy: 0.3387306571871946
Energy: 0.3494350206892385
Energy: 0.33873065718817763
Energy: 0.3501356627034465
Energy: 0.33307283250897596
Energy: 0.3501356627034465
Energy: 0.3330728325086483
Energy: 0.35013566270311886
Energy: 0.3330728325093036
Energy: 0.32506050115587953
Energy: 0.3168138617345045
Energy: 0.32506050115587953
Energy: 0.3168138617345045
Energy: 0.3250605011555519
Energy: 0.3168138617345045
Energy: 0.3141489261042545
Energy: 0.3585995228188096
Energy: 0.3141489261049098
Energy: 0.358599522818482
Energy: 0.31414892610392686
Energy: 0.3585995228188096
Energy: 0.35507385467136665
Energy: 0.3005334001838841
Energy: 0.35507385467136665
Energy: 0.30053340018453945
Energy: 0.3550738546677625
Energy: 0.30053340018421176
Energy: 0.3561483340514001
Energy: 0.34966826609000895
Energy: 0.3561483340517278
Energy: 0.3496682660903366
Energy: 0.3561483340510725
Energy: 0.3496682660903366
Energy: 0.35488119999500467
Energy: 0.31632409446155446
Energy: 0.35488119999631523
Energy: 0.31632409446483095
Energy: 0.35488119999959167
Energy: 0.3163240944664692
Energy: 0.3141954888457324
Energy: 0.3929825127861451
Energy: 0.3141954888457324
Energy: 0.3929825127858175
Energy: 0.31419548884606
Energy: 0.3929825127854898
Energy: 0.32505592555986695
Energy: 0.3170138709343218
Energy: 0.32505592556019464
Energy: 0.3170138709343218
Energy: 0.32505592555953927
Energy: 0.3170138709343218
Energy: 0.35014406016299304
Energy: 0.3330598624290918
Energy: 0.35014406016266536
Energy: 0.3330598624287642
Energy: 0.3501440601636483
Energy: 0.3330598624287642

minimum gb energy = 0.3005334001838841 eV
minimum distance =  2.65925875132367 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.12221855638351521
Energy: 0.12703154751229348
Energy: 0.12221855638426106
Energy: 0.12703154751229348
Energy: 0.12221855638426106
Energy: 0.12703154751303933
Energy: 0.198502161455818
Energy: 0.20002410196632828
Energy: 0.198502161455818
Energy: 0.2000241019655824
Energy: 0.198502161455818
Energy: 0.20002410196632828
Energy: 0.15201144321556487
Energy: 0.17656090297139357
Energy: 0.15201144321705656
Energy: 0.17656090297139357
Energy: 0.15201144321631074
Energy: 0.17656090297139357
Energy: 0.12864612181671556
Energy: 0.12243110684494389
Energy: 0.12864612181671556
Energy: 0.12243110684419804
Energy: 0.12864612182119062
Energy: 0.12243110684419804
Energy: 0.1984360568854687
Energy: 0.19790533222841059
Energy: 0.19843605688472288
Energy: 0.19790533222841059
Energy: 0.1984360568854687
Energy: 0.19790533222841059
Energy: 0.12248494205297748
Energy: 0.1519192836945139
Energy: 0.12248494205297748
Energy: 0.15191928369525975
Energy: 0.12248494205297748
Energy: 0.15191928369525975
Energy: 0.12249694576060143
Energy: 0.15186367327138198
Energy: 0.12249694576060143
Energy: 0.15186367327287367
Energy: 0.12249694576134727
Energy: 0.15186367327212782
Energy: 0.1984266764128864
Energy: 0.19789412265784953
Energy: 0.19842667641214057
Energy: 0.19789412265784953
Energy: 0.1984266764128864
Energy: 0.19789412265784953
Energy: 0.12865434462701208
Energy: 0.12240222033313204
Energy: 0.12865434462628317
Energy: 0.12240222033313204
Energy: 0.12865434462404562
Energy: 0.12240222033386096
Energy: 0.15199950444828317
Energy: 0.17659732944471396
Energy: 0.1519995044520124
Energy: 0.17659732944545978
Energy: 0.1519995044467915
Energy: 0.1765973294462056
Energy: 0.19848057118908277
Energy: 0.20003689928173538
Energy: 0.19848057118908277
Energy: 0.20003689928098953
Energy: 0.19848057118908277
Energy: 0.20003689928246426
Energy: 0.12221855638426106
Energy: 0.12703154751229348
Energy: 0.12221855638500692
Energy: 0.12703154751005594
Energy: 0.12221855638426106
Energy: 0.12703154751154763
Energy: 0.198502161455818
Energy: 0.20002410196707412
Energy: 0.19850216145656385
Energy: 0.20002410196632828
Energy: 0.198502161455818
Energy: 0.20002410196483658
Energy: 0.1520114432178024
Energy: 0.17656090297139357
Energy: 0.15201144321556487
Energy: 0.17656090297139357
Energy: 0.15201144321556487
Energy: 0.17656090297139357
Energy: 0.12864612181895307
Energy: 0.12243110684494389
Energy: 0.1286461218219365
Energy: 0.12243110684419804
Energy: 0.12864612181820725
Energy: 0.12243110684419804
Energy: 0.1984360568854687
Energy: 0.19790533222841059
Energy: 0.1984360568854687
Energy: 0.19790533222841059
Energy: 0.1984360568854687
Energy: 0.19790533222841059
Energy: 0.12248494205297748
Energy: 0.1519192836960056
Energy: 0.12248494205297748
Energy: 0.1519192836937681
Energy: 0.12248494205223164
Energy: 0.15191928369525975
Energy: 0.12249694576060143
Energy: 0.1518636732683986
Energy: 0.12249694576134727
Energy: 0.1518636732698903
Energy: 0.12249694575985559
Energy: 0.15186367327138198
Energy: 0.1984266764128864
Energy: 0.19789412265784953
Energy: 0.1984266764128864
Energy: 0.19789412265784953
Energy: 0.1984266764128864
Energy: 0.19789412265784953

minimum gb energy = 0.12221855638351521 eV
minimum distance =  2.72483727606331 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.31166924537140106
Energy: 0.3477484486876007
Energy: 0.3116692453719474
Energy: 0.3477484486876007
Energy: 0.31166924537304014
Energy: 0.3477484486870543
Energy: 0.36253178057098284
Energy: 0.2898064962589496
Energy: 0.36253178057207547
Energy: 0.28980649625949595
Energy: 0.3625317805715292
Energy: 0.2898064962589496
Energy: 0.30855410547451656
Energy: 0.46499537400533436
Energy: 0.3085541054734239
Energy: 0.46499537400533436
Energy: 0.3085541054734239
Energy: 0.46499537400533436
Energy: 0.37904365718185445
Energy: 0.3028550811690053
Energy: 0.37904365718185445
Energy: 0.3028550811690053
Energy: 0.3790436571813081
Energy: 0.3028550811690053
Energy: 0.2961353170234384
Energy: 0.2749922709956669
Energy: 0.2961353170234384
Energy: 0.2749922709956669
Energy: 0.2961353170234384
Energy: 0.2749922709956669
Energy: 0.31201285283960434
Energy: 0.3058891013389196
Energy: 0.3120128528385116
Energy: 0.3058891013389196
Energy: 0.312012852837419
Energy: 0.3058891013389196
Energy: 0.2839489116372269
Energy: 0.3223699425274518
Energy: 0.2839489116377732
Energy: 0.3223699425290908
Energy: 0.2839489116372269
Energy: 0.3223699425290908
Energy: 0.297073889003551
Energy: 0.26841312760767266
Energy: 0.297073889003551
Energy: 0.26841312760821906
Energy: 0.29707388900300463
Energy: 0.26841312760767266
Energy: 0.3192091151179799
Energy: 0.2671680427737061
Energy: 0.31920911511852623
Energy: 0.2671680427737061
Energy: 0.31920911511852623
Energy: 0.2671680427737061
Energy: 0.26965305696943803
Energy: 0.380532839441785
Energy: 0.2696530569699845
Energy: 0.380532839441785
Energy: 0.26965305696889175
Energy: 0.380532839441785
Energy: 0.4137203665077542
Energy: 0.3734306227709164
Energy: 0.41372036650939314
Energy: 0.3734306227709164
Energy: 0.4137203665055687
Energy: 0.3734306227709164
Energy: 0.29575754692561634
Energy: 0.27717673743684407
Energy: 0.295757546926709
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Energy: 0.2957575469272554
Energy: 0.27717673743684407
Energy: 0.3037373430607894
Energy: 0.3022252240153569
Energy: 0.303737343060243
Energy: 0.3022252240153569
Energy: 0.3037373430607894
Energy: 0.3022252240153569
Energy: 0.3049795276119796
Energy: 0.4501543307827988
Energy: 0.30497952761143327
Energy: 0.4501543307822525
Energy: 0.30497952761143327
Energy: 0.4501543307827988
Energy: 0.4211717174244351
Energy: 0.2898858602646356
Energy: 0.42117171742388876
Energy: 0.2898858602651819
Energy: 0.4211717174244351
Energy: 0.2898858602646356
Energy: 0.3123962956991718
Energy: 0.3011690903349161
Energy: 0.3123962956991718
Energy: 0.3011690903349161
Energy: 0.31239629569971816
Energy: 0.3011690903354624
Energy: 0.26762500947365403
Energy: 0.29093121903276864
Energy: 0.26762500947365403
Energy: 0.29093121903276864
Energy: 0.26762500947420037
Energy: 0.29093121903276864
Energy: 0.40789641992201314
Energy: 0.4494848632340059
Energy: 0.40789641992201314
Energy: 0.4494848632340059
Energy: 0.40789641992201314
Energy: 0.4494848632340059
Energy: 0.3784117390811582
Energy: 0.3047198701845064
Energy: 0.3784117390806118
Energy: 0.3047198701839601
Energy: 0.3784117390806118
Energy: 0.3047198701845064
Energy: 0.29597540816970797
Energy: 0.2864543621182311
Energy: 0.29597540817025436
Energy: 0.28645436211877745
Energy: 0.29597540816970797
Energy: 0.28645436211877745
Energy: 0.2696987187276583
Energy: 0.3047674105912957
Energy: 0.26969871872656564
Energy: 0.3047674105912957
Energy: 0.2696987187276583
Energy: 0.3047674105912957
Energy: 0.35895555703477944
Energy: 0.37563255444644045
Energy: 0.358955557034233
Energy: 0.37563255444644045
Energy: 0.35895555703477944
Energy: 0.3756325544458941
Energy: 0.3023391535979005
Energy: 0.300034331160485
Energy: 0.3023391535979005
Energy: 0.30003433115993866
Energy: 0.3023391535989932
Energy: 0.30003433116103134
Energy: 0.29898855006167757
Energy: 0.28366309740698603
Energy: 0.29898855006058495
Energy: 0.28366309740807866
Energy: 0.29898855006058495
Energy: 0.28366309740807866
Energy: 0.26964430215552515
Energy: 0.37850752278994926
Energy: 0.26964430215607155
Energy: 0.37850752278994926
Energy: 0.26964430215552515
Energy: 0.37850752278994926
Energy: 0.463840185780462
Energy: 0.36278277773933937
Energy: 0.463840185780462
Energy: 0.36278277774043205
Energy: 0.4638401857799157
Energy: 0.36278277774043205

minimum gb energy = 0.2671680427737061 eV
minimum distance =  2.60799708438373 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.34794066678450797
Energy: 0.29626806611403234
Energy: 0.3479406667840774
Energy: 0.29626806611403234
Energy: 0.3479406667840774
Energy: 0.29626806611403234
Energy: 0.3633467227016358
Energy: 0.32174475832410687
Energy: 0.36334672270120516
Energy: 0.32174475832367627
Energy: 0.3633467227016358
Energy: 0.32174475832410687
Energy: 0.3396284481665547
Energy: 0.5003551370622639
Energy: 0.33962844816698534
Energy: 0.5003551370626945
Energy: 0.3396284481665547
Energy: 0.5003551370622639
Energy: 0.3418949980175389
Energy: 0.2931231044413426
Energy: 0.3418949980175389
Energy: 0.29312310444091194
Energy: 0.3418949980175389
Energy: 0.2931231044413426
Energy: 0.2838617920392656
Energy: 0.3112642991818329
Energy: 0.28386179203969625
Energy: 0.3112642991818329
Energy: 0.28386179203969625
Energy: 0.3112642991818329
Energy: 0.33735754494576087
Energy: 0.33020425911182083
Energy: 0.3373575449466221
Energy: 0.33020425911182083
Energy: 0.3373575449427466
Energy: 0.33020425911182083
Energy: 0.3133669399398816
Energy: 0.40558162179151264
Energy: 0.3133669399398816
Energy: 0.405581621791082
Energy: 0.3133669399407429
Energy: 0.405581621791082
Energy: 0.29930110771316415
Energy: 0.2931254974128984
Energy: 0.29930110771359475
Energy: 0.293125497413329
Energy: 0.29930110771359475
Energy: 0.2931254974128984
Energy: 0.2843304883510364
Energy: 0.2945176291057889
Energy: 0.2843304883506058
Energy: 0.2945176291057889
Energy: 0.2843304883510364
Energy: 0.2945176291057889
Energy: 0.342324011297232
Energy: 0.41024994876309745
Energy: 0.3423240112976626
Energy: 0.4102499487635281
Energy: 0.342324011297232
Energy: 0.4102499487635281
Energy: 0.3426754185341843
Energy: 0.4085875348603544
Energy: 0.3426754185341843
Energy: 0.4085875348599237
Energy: 0.3426754185346149
Energy: 0.4085875348603544
Energy: 0.2861238493135084
Energy: 0.30766669106142813
Energy: 0.2861238493135084
Energy: 0.3076666910609975
Energy: 0.2861238493135084
Energy: 0.3076666910601362
Energy: 0.2977762336319974
Energy: 0.2952077063243824
Energy: 0.29777623363156686
Energy: 0.2952077063243824
Energy: 0.29777623363156686
Energy: 0.2952077063243824
Energy: 0.2833801321594242
Energy: 0.4059093575363848
Energy: 0.2833801321598548
Energy: 0.4059093575363848
Energy: 0.2833801321598548
Energy: 0.40590935753681545
Energy: 0.34261586494972185
Energy: 0.32979983883372865
Energy: 0.3426158649479994
Energy: 0.32979983883372865
Energy: 0.3426158649501525
Energy: 0.32979983883329805
Energy: 0.28596964603298297
Energy: 0.31041308807981255
Energy: 0.28596964603298297
Energy: 0.31041308807981255
Energy: 0.28596964603255237
Energy: 0.3104130880793819
Energy: 0.3039850561835864
Energy: 0.2952153920846299
Energy: 0.3039850561831558
Energy: 0.2952153920846299
Energy: 0.3039850561835864
Energy: 0.2952153920846299
Energy: 0.32409437129885305
Energy: 0.5011624244723958
Energy: 0.3240943712992837
Energy: 0.5011624244719651
Energy: 0.3240943712992837
Energy: 0.5011624244719651
Energy: 0.36408080545587373
Energy: 0.3188072265087615
Energy: 0.3640808054550126
Energy: 0.3188072265040247
Energy: 0.36408080545458193
Energy: 0.3188072265083308
Energy: 0.3453438303536276
Energy: 0.33905302125272063
Energy: 0.345343830353197
Energy: 0.31495743307623375
Energy: 0.3453438303536276
Energy: 0.3149574330766644
Energy: 0.28413462935345163
Energy: 0.31846251746632653
Energy: 0.2841346293543129
Energy: 0.31846251746632653
Energy: 0.28413462935345163
Energy: 0.31846251746632653
Energy: 0.3310213256360158
Energy: 0.5011490947379093
Energy: 0.331021325634724
Energy: 0.5011490947383398
Energy: 0.3310213256355852
Energy: 0.5011490947383398
Energy: 0.3396918225576871
Energy: 0.2925139259534133
Energy: 0.3396918225572565
Energy: 0.2925139259529827
Energy: 0.33969182255682584
Energy: 0.2925139259529827
Energy: 0.285967896296584
Energy: 0.326832124949043
Energy: 0.285967896296584
Energy: 0.3268321249494736
Energy: 0.285967896296584
Energy: 0.3268321249494736
Energy: 0.28392997479389204
Energy: 0.33122654975816335
Energy: 0.28392997479389204
Energy: 0.33122654975816335
Energy: 0.28392997479389204
Energy: 0.3312265497573021
Energy: 0.3154691195688875
Energy: 0.3967655763623395
Energy: 0.3154691195688875
Energy: 0.39727715711846595
Energy: 0.3154691195688875
Energy: 0.39676557636061704
Energy: 0.29783354045545046
Energy: 0.2925265526079349
Energy: 0.2978335404545892
Energy: 0.29252655260664306
Energy: 0.29783354045545046
Energy: 0.29252655260664306
Energy: 0.2863800326836851
Energy: 0.3333446309487721
Energy: 0.2863800326836851
Energy: 0.3124849189438294
Energy: 0.2863800326836851
Energy: 0.3124849189438294
Energy: 0.34259576796400537
Energy: 0.3230865321376938
Energy: 0.3425957679635943
Energy: 0.323086532136402
Energy: 0.34259576796400537
Energy: 0.3230865321402775
Energy: 0.4333199307429293
Energy: 0.3351125418220511
Energy: 0.4333199307429293
Energy: 0.3351125418220511
Energy: 0.4333199307412069
Energy: 0.3351125418194674
Energy: 0.2837321564127186
Energy: 0.30771676417256155
Energy: 0.2837321564127186
Energy: 0.3077167641574901
Energy: 0.283732156412288
Energy: 0.3077167641630881
Energy: 0.29987429412389627
Energy: 0.29281243498056936
Energy: 0.2998742941243268
Energy: 0.29281243498056936
Energy: 0.29987429412389627
Energy: 0.29281243498056936
Energy: 0.2837563472438408
Energy: 0.3317036636610928
Energy: 0.283756347244702
Energy: 0.3317036636610928
Energy: 0.283756347244702
Energy: 0.3317036636606622

minimum gb energy = 0.2833801321594242 eV
minimum distance =  2.59892280488921 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.3205558420928514
Energy: 0.3053124788139625
Energy: 0.32055584209254917
Energy: 0.30531247881366036
Energy: 0.32055584209254917
Energy: 0.30531247881366036
Energy: 0.34639718234276967
Energy: 0.31282074674818144
Energy: 0.3463971823424675
Energy: 0.3128207467484837
Energy: 0.34639718234276967
Energy: 0.3128207467484837
Energy: 0.3458899553202643
Energy: 0.36659617559614505
Energy: 0.34588995529487865
Energy: 0.3665961755970517
Energy: 0.3458899553181488
Energy: 0.36659617559614505
Energy: 0.3294354305847108
Energy: 0.30281786612195
Energy: 0.32943543058017766
Energy: 0.30281786612225214
Energy: 0.3294354305892439
Energy: 0.30281786612195
Energy: 0.30196494848380506
Energy: 0.3023006151133595
Energy: 0.30196494848410727
Energy: 0.3023006151130573
Energy: 0.30196494848410727
Energy: 0.30230061511184847
Energy: 0.34922597537314665
Energy: 0.3077391491809057
Energy: 0.3492259753737511
Energy: 0.3077391491809057
Energy: 0.3492259753728445
Energy: 0.3077391491809057
Energy: 0.33210072524539713
Energy: 0.35398766380202057
Energy: 0.33210072524449047
Energy: 0.3539876638023228
Energy: 0.33210072524388606
Energy: 0.35398766380262503
Energy: 0.33481582163815116
Energy: 0.3815756530773741
Energy: 0.33481582163815116
Energy: 0.3815756530770719
Energy: 0.3348158216396622
Energy: 0.3815756530773741
Energy: 0.36326171213383646
Energy: 0.3066952283735958
Energy: 0.36326171213353425
Energy: 0.3066952283729914
Energy: 0.36326171213413877
Energy: 0.3066952283732936
Energy: 0.34441307625095
Energy: 0.31872510136752297
Energy: 0.3444130762485324
Energy: 0.31872510136752297
Energy: 0.34441307625276335
Energy: 0.3187251013669185
Energy: 0.3359690895032052
Energy: 0.3370124350932098
Energy: 0.3359690895016942
Energy: 0.3370124350935119
Energy: 0.335969089501392
Energy: 0.3370124350932098
Energy: 0.32891784980752764
Energy: 0.3026952170517854
Energy: 0.32891784978516414
Energy: 0.3026952170508788
Energy: 0.32891784976131705
Energy: 0.3026952170514833
Energy: 0.3065584179369338
Energy: 0.3643726341221933
Energy: 0.3065584179363294
Energy: 0.3643726341206822
Energy: 0.306558417937236
Energy: 0.3643726341206822
Energy: 0.34910800833982847
Energy: 0.3339586848105269
Energy: 0.34910800833922406
Energy: 0.3339586848105269
Energy: 0.34910800834043293
Energy: 0.3339586848108291
Energy: 0.35111485999107706
Energy: 0.3335505597017577
Energy: 0.35111485999077485
Energy: 0.3335505597044776
Energy: 0.35111485999077485
Energy: 0.33355055970357095
Energy: 0.30596522044118873
Energy: 0.32708639999460487
Energy: 0.30596522044058433
Energy: 0.3270863999828187
Energy: 0.3059652204408866
Energy: 0.32708639998946726
Energy: 0.35619513058776525
Energy: 0.3030230634569785
Energy: 0.3561951305880674
Energy: 0.30302306345728064
Energy: 0.3561951305913918
Energy: 0.3030230634569785
Energy: 0.30132300937724593
Energy: 0.3289858008193945
Energy: 0.3013230093766415
Energy: 0.3289858008199989
Energy: 0.30132300937543266
Energy: 0.3289858008199989
Energy: 0.36844435657390057
Energy: 0.3454112895325726
Energy: 0.3684443565745049
Energy: 0.3454112895298528
Energy: 0.3684443565742027
Energy: 0.3454112895325726
Energy: 0.3017109304249904
Energy: 0.31161868218608224
Energy: 0.30171093039748936
Energy: 0.31161868218608224
Energy: 0.3017109304089734
Energy: 0.31161868218608224
Energy: 0.3061568005561611
Energy: 0.32157720935742756
Energy: 0.3061568005552545
Energy: 0.3215772093577297
Energy: 0.3061568005552545
Energy: 0.32157720935742756
Energy: 0.31693418902214515
Energy: 0.3467022298712735
Energy: 0.31693418902184295
Energy: 0.34670222986946025
Energy: 0.31693418902184295
Energy: 0.34670222985498167
Energy: 0.3506466780609787
Energy: 0.3105247136451681
Energy: 0.3506466780600721
Energy: 0.31052471364486584
Energy: 0.3506466780603743
Energy: 0.31052471364275036
Energy: 0.30588080914648186
Energy: 0.3294670280572635
Energy: 0.30588080914678406
Energy: 0.32946702805605466
Energy: 0.30588080914587745
Energy: 0.3294670280548458
Energy: 0.30289943984529755
Energy: 0.3030196757463323
Energy: 0.30289943984439094
Energy: 0.30301967574663446
Energy: 0.30289943984559975
Energy: 0.3030196757460301
Energy: 0.3057258428490752
Energy: 0.353447632260319
Energy: 0.3057258428496797
Energy: 0.35344763225971454
Energy: 0.30572584284786636
Energy: 0.35344763225820347
Energy: 0.36593270142885936
Energy: 0.3314418231760764
Energy: 0.36593270142341955
Energy: 0.3314418231778896
Energy: 0.3659327014297659
Energy: 0.3314418231775874
Energy: 0.32429355616157884
Energy: 0.30157401282884205
Energy: 0.32429355616218325
Energy: 0.3015740128291443
Energy: 0.32429355616188105
Energy: 0.3015740128291443
Energy: 0.30820796089825636
Energy: 0.3646695743286783
Energy: 0.3082079608988607
Energy: 0.3646695743271673
Energy: 0.3082079608973497
Energy: 0.3646695743298872
Energy: 0.3209115479811291
Energy: 0.36839209158817976
Energy: 0.32091154798173355
Energy: 0.3683920916075212
Energy: 0.3209115479811291
Energy: 0.3683920915960371
Energy: 0.32877922583126445
Energy: 0.30118766738066016
Energy: 0.32877922583096225
Energy: 0.30118766738126457
Energy: 0.3287792258297534
Energy: 0.3011876673809624
Energy: 0.3058080974820415
Energy: 0.3020042321887771
Energy: 0.3058080974829481
Energy: 0.30200423216792466
Energy: 0.30580809748234367
Energy: 0.30200423218031525
Energy: 0.30168456421630974
Energy: 0.30743458778370597
Energy: 0.30168456421570533
Energy: 0.3074345877840082
Energy: 0.3016845642202385
Energy: 0.3074345877840082
Energy: 0.3335057363101874
Energy: 0.34947818909541417
Energy: 0.33350573630837416
Energy: 0.349478189096623
Energy: 0.33350573630928076
Energy: 0.3494781890960186
Energy: 0.33321559206975815
Energy: 0.3537070121065147
Energy: 0.33321559206915374
Energy: 0.3537070121068169
Energy: 0.333215592069456
Energy: 0.3537070121071191
Energy: 0.3016024028645646
Energy: 0.3074523318696129
Energy: 0.3016024028597293
Energy: 0.3074523318699151
Energy: 0.30160240286214696
Energy: 0.3074523318696129
Energy: 0.30580240964767
Energy: 0.3021163322052969
Energy: 0.305802409646159
Energy: 0.3021163321986483
Energy: 0.3058024096467635
Energy: 0.3021163322040881
Energy: 0.3287946988869522
Energy: 0.30113582787616744
Energy: 0.3287946988887655
Energy: 0.30113582787616744
Energy: 0.32879469888725443
Energy: 0.30113582787616744
Energy: 0.3155308455198451
Energy: 0.36792425283489333
Energy: 0.3155308455204496
Energy: 0.36792425283700875
Energy: 0.315530845521054
Energy: 0.36792425283579994
Energy: 0.3082051187021273
Energy: 0.3648081039437879
Energy: 0.30820511870333617
Energy: 0.364808103942579
Energy: 0.30820511870152284
Energy: 0.3648081039428812
Energy: 0.3244816929673737
Energy: 0.30159864760353866
Energy: 0.3244816929679782
Energy: 0.30159864760323646
Energy: 0.3244816929676759
Energy: 0.30159864760323646
Energy: 0.365607958228735
Energy: 0.3314198394045549
Energy: 0.365607958221482
Energy: 0.33141983940485703
Energy: 0.36560795823085046
Energy: 0.3314198394042527
Energy: 0.3058431489116078
Energy: 0.3531029125707241
Energy: 0.30584314891221215
Energy: 0.353102912573444
Energy: 0.30584314891191
Energy: 0.35310291257283954
Energy: 0.3024809576977655
Energy: 0.30302060995620855
Energy: 0.3024809576965567
Energy: 0.30302060995620855
Energy: 0.3024809576935346
Energy: 0.30302060995620855
Energy: 0.3056968745704613
Energy: 0.33024111464243766
Energy: 0.30569687457076355
Energy: 0.33024111464304207
Energy: 0.3056968745710657
Energy: 0.3302411146478774
Energy: 0.35048523567341244
Energy: 0.3105805074560922
Energy: 0.35048523567371465
Energy: 0.3105805074554878
Energy: 0.35048523567283546
Energy: 0.3105805074588121
Energy: 0.31673216604575116
Energy: 0.3466643491167434
Energy: 0.31673216604484455
Energy: 0.34666434910737487
Energy: 0.31673216604454235
Energy: 0.34666434911432575

minimum gb energy = 0.30113582787616744 eV
minimum distance =  2.6667949686792 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.30790809504674616
Energy: 0.31669565834894703
Energy: 0.30790809504674616
Energy: 0.31669565834832736
Energy: 0.30790809504674616
Energy: 0.3166956583485339
Energy: 0.3045902560964011
Energy: 0.28240588408167294
Energy: 0.3045902560964011
Energy: 0.2824058840818795
Energy: 0.3045902560964011
Energy: 0.2824058840818795
Energy: 0.4343130037202869
Energy: 0.42809975936133043
Energy: 0.43431300377358106
Energy: 0.4280997593609173
Energy: 0.28286942251044345
Energy: 0.4280997593621338
Energy: 0.30458911168498165
Energy: 0.2824246140698154
Energy: 0.30458911168498165
Energy: 0.2824246140698154
Energy: 0.3045891116847981
Energy: 0.28242461407002195
Energy: 0.30790809504876593
Energy: 0.3166956583479371
Energy: 0.30790809504855937
Energy: 0.31669565834731744
Energy: 0.30790809504855937
Energy: 0.31669565834773056
Energy: 0.30459025609741097
Energy: 0.2824058840790335
Energy: 0.30459025609741097
Energy: 0.2824058840790335
Energy: 0.30459025609761753
Energy: 0.2824058840790335
Energy: 0.28286942251124675
Energy: 0.4280997593617436
Energy: 0.28286942251124675
Energy: 0.42809975936234035
Energy: 0.28286942251124675
Energy: 0.42809975936073374

minimum gb energy = 0.2824058840790335 eV
minimum distance =  2.71574689444816 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.46295605782429033
Energy: 0.3790905561733724
Energy: 0.4629560578231909
Energy: 0.3790905561730975
Energy: 0.46295605782484
Energy: 0.3790905561733724
Energy: 0.4031036094683128
Energy: 0.3688990767327998
Energy: 0.4031036094677631
Energy: 0.3688990767330747
Energy: 0.40310360946941226
Energy: 0.3688990767330747
Energy: 0.3777647705028185
Energy: 0.4408846065155436
Energy: 0.3777647705030934
Energy: 0.4408846065160933
Energy: 0.377764770501719
Energy: 0.4408846065160933
Energy: 0.39297130941776454
Energy: 0.35212495058228965
Energy: 0.39297130941666514
Energy: 0.3521249505839387
Energy: 0.3929713094172148
Energy: 0.35212495058119025
Energy: 0.4048469705540841
Energy: 0.39548217006849073
Energy: 0.4048469705543589
Energy: 0.395482170067941
Energy: 0.4048469705543589
Energy: 0.395482170067941
Energy: 0.38841405815814567
Energy: 0.4158412230952943
Energy: 0.388414058157596
Energy: 0.4158412230969435
Energy: 0.3884140581578709
Energy: 0.41584122309474464
Energy: 0.4264515170253522
Energy: 0.42557850059284563
Energy: 0.4264515170248025
Energy: 0.4255785005955942
Energy: 0.42645151702397793
Energy: 0.42557850059421987
Energy: 0.38371977609517866
Energy: 0.3691945743735257
Energy: 0.38371977609380437
Energy: 0.3691945743738006
Energy: 0.38371977609435404
Energy: 0.3691945743735257
Energy: 0.38801341394159716
Energy: 0.39016117154825825
Energy: 0.38801341394049765
Energy: 0.39016117154825825
Energy: 0.3880134139388486
Energy: 0.39016117154825825
Energy: 0.3828647510068342
Energy: 0.41581092691860433
Energy: 0.38286475100600964
Energy: 0.415810926919154
Energy: 0.3828647510076587
Energy: 0.41581092691887916
Energy: 0.4083199219422676
Energy: 0.41679507954332495
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Energy: 0.41679507954250045
Energy: 0.4083199219406185
Energy: 0.41679507954140105
Energy: 0.3965340274170674
Energy: 0.3770089984418658
Energy: 0.39653402741596794
Energy: 0.3770089984421406
Energy: 0.3965340274170674
Energy: 0.3770089984424155
Energy: 0.38604761104417723
Energy: 0.39394308316805793
Energy: 0.38604761104390234
Energy: 0.39394308316833276
Energy: 0.38604761104500174
Energy: 0.3939430831686076
Energy: 0.37724105673020986
Energy: 0.4066952159748274
Energy: 0.37724105673048475
Energy: 0.4066952159751023
Energy: 0.3772410567307595
Energy: 0.4066952159751023
Energy: 0.42142114761609484
Energy: 0.39516938428076637
Energy: 0.42142114761444566
Energy: 0.3951693842804915
Energy: 0.4214211476224165
Energy: 0.3951693842804915
Energy: 0.43436327861823226
Energy: 0.3620098801989031
Energy: 0.43436327861933166
Energy: 0.3620098801989031
Energy: 0.4343632786190568
Energy: 0.3620098801989031
Energy: 0.37371055358354704
Energy: 0.4038656451390971
Energy: 0.37371055358192296
Energy: 0.4038656451390971
Energy: 0.3737105535821978
Energy: 0.4038656451396468
Energy: 0.3624554648014862
Energy: 0.4241816771216144
Energy: 0.3624554648025856
Energy: 0.4241816771221642
Energy: 0.3624554648014862
Energy: 0.4241816771210647
Energy: 0.4163395763738034
Energy: 0.4048891181961722
Energy: 0.41633957637545255
Energy: 0.40488911819589735
Energy: 0.41633957637710167
Energy: 0.40488911819589735
Energy: 0.3965326474436289
Energy: 0.4061947623709312
Energy: 0.39653264744390376
Energy: 0.406194762369557
Energy: 0.39653264744390376
Energy: 0.4061947623698318
Energy: 0.4012142052285632
Energy: 0.45590513966197654
Energy: 0.4012142052277386
Energy: 0.4559051396625262
Energy: 0.4012142052293877
Energy: 0.45590513966197654
Energy: 0.3569710853783375
Energy: 0.44227235501855816
Energy: 0.35697108537613864
Energy: 0.44227235501883305
Energy: 0.35697108537668837
Energy: 0.44227235501855816
Energy: 0.41841194512519014
Energy: 0.3563887617897529
Energy: 0.41841194512409075
Energy: 0.3563887617897529
Energy: 0.41841194512519014
Energy: 0.35638876178892837
Energy: 0.353198795398255
Energy: 0.39871238402187537
Energy: 0.3531987953974304
Energy: 0.39871238402215026
Energy: 0.353198795398255
Energy: 0.3987123840205011
Energy: 0.38911292916697016
Energy: 0.45593253953232016
Energy: 0.38911292916532103
Energy: 0.45593253953232016
Energy: 0.38911292916669526
Energy: 0.45593253953204527
Energy: 0.3796776114873985
Energy: 0.423192915966578
Energy: 0.379677611488223
Energy: 0.4231929159671277
Energy: 0.37967761148712353
Energy: 0.4231929159676774
Energy: 0.41749930311722416
Energy: 0.3972206778291268
Energy: 0.41749930312354583
Energy: 0.3972206778291268
Energy: 0.4174993031238207
Energy: 0.397220677828577
Energy: 0.3563241200382481
Energy: 0.35266581700774524
Energy: 0.3563241200385229
Energy: 0.35266581700774524
Energy: 0.3563241200374235
Energy: 0.3526658170082949
Energy: 0.3949123872405889
Energy: 0.4034547762881435
Energy: 0.39491238724086375
Energy: 0.40345477628841836
Energy: 0.39491238723976435
Energy: 0.4034547762881435
Energy: 0.4219405062849959
Energy: 0.386087440165278
Energy: 0.4219405062849959
Energy: 0.38608744016500324
Energy: 0.4219405062852708
Energy: 0.38608744016500324
Energy: 0.4376054770488283
Energy: 0.36466192626270594
Energy: 0.4376054770458049
Energy: 0.36466192626270594
Energy: 0.43760547705020253
Energy: 0.3646619262629808
Energy: 0.3869592105790612
Energy: 0.4027878302389706
Energy: 0.386959210579336
Energy: 0.4027878302395203
Energy: 0.386959210579336
Energy: 0.4027878302395203
Energy: 0.36030577572755923
Energy: 0.38923763291763214
Energy: 0.36030577572865863
Energy: 0.3892376329173573
Energy: 0.36030577572865863
Energy: 0.38923763291763214
Energy: 0.4191210921496686
Energy: 0.4135073524482301
Energy: 0.4191210921510429
Energy: 0.4135073524479553
Energy: 0.4191210921510429
Energy: 0.4135073524479553
Energy: 0.41336720013541334
Energy: 0.40433985894668845
Energy: 0.4133672001356882
Energy: 0.4043398589461388
Energy: 0.41336720013541334
Energy: 0.4043398589469633
Energy: 0.400405756745885
Energy: 0.4535876360132182
Energy: 0.4004057567461599
Energy: 0.4535876360132182
Energy: 0.4004057567469844
Energy: 0.4535876360132182
Energy: 0.37490169977836724
Energy: 0.3885568771939014
Energy: 0.37490169977836724
Energy: 0.3885568771936266
Energy: 0.3749016997786421
Energy: 0.3885568771936266
Energy: 0.4354793010141908
Energy: 0.36198483828988054
Energy: 0.4354793010133662
Energy: 0.36198483828988054
Energy: 0.43547930101061766
Energy: 0.36198483828988054
Energy: 0.37167674300043857
Energy: 0.42545036887365534
Energy: 0.37167674299933917
Energy: 0.42545036887338056
Energy: 0.37167674299988884
Energy: 0.42545036887338056
Energy: 0.3886467443368972
Energy: 0.45344761833950487
Energy: 0.38864674433937096
Energy: 0.45344761833950487
Energy: 0.3886467443379967
Energy: 0.4534476183397797
Energy: 0.4070718136365092
Energy: 0.3754139675672114
Energy: 0.4070718136376086
Energy: 0.37541396757078455
Energy: 0.4070718136373337
Energy: 0.37541396756996004
Energy: 0.45606080833134904
Energy: 0.35447427441176727
Energy: 0.456060808322004
Energy: 0.35447427441149243
Energy: 0.456060808329425
Energy: 0.35447427441369117
Energy: 0.3654029587944836
Energy: 0.4460516250147558
Energy: 0.36540295879365897
Energy: 0.446051625014481
Energy: 0.3654029587947585
Energy: 0.446051625014481
Energy: 0.4094913724423708
Energy: 0.4029932343865595
Energy: 0.4094913724442948
Energy: 0.4029932343865595
Energy: 0.4094913724434702
Energy: 0.4029932343865595
Energy: 0.44389459791004743
Energy: 0.40215591991269656
Energy: 0.4438945979094977
Energy: 0.4021559199129714
Energy: 0.4438945979086732
Energy: 0.4021559199132463
Energy: 0.43867913117365936
Energy: 0.3721546013162833
Energy: 0.43867913117283486
Energy: 0.3721546013160084
Energy: 0.4386791311742091
Energy: 0.3721546013154587
Energy: 0.3756056694291956
Energy: 0.41253842465868706
Energy: 0.3756056694286459
Energy: 0.41253842465758767
Energy: 0.3756056694280962
Energy: 0.4125384246592368
Energy: 0.38789564561493883
Energy: 0.38473753666836885
Energy: 0.3878956456152137
Energy: 0.3847375366689186
Energy: 0.3878956456152137
Energy: 0.3847375366686437
Energy: 0.407128119343857
Energy: 0.3916799925414882
Energy: 0.4071281193427576
Energy: 0.3916799925414882
Energy: 0.4071281193435822
Energy: 0.3916799925417631
Energy: 0.41683664561327993
Energy: 0.4098115536230651
Energy: 0.4168366456135548
Energy: 0.4098115536258137
Energy: 0.4168366456116308
Energy: 0.4098115536241646
Energy: 0.3793654791130945
Energy: 0.4192221635770487
Energy: 0.379365479114194
Energy: 0.41922216357787323
Energy: 0.3793654791130945
Energy: 0.41922216357814807

minimum gb energy = 0.35212495058119025 eV
minimum distance =  2.59908753105516 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.4380445277394415
Energy: 0.39373910815316837
Energy: 0.438044527740196
Energy: 0.39373910815316837
Energy: 0.4380445277405733
Energy: 0.39373910815279123
Energy: 0.37197937163870737
Energy: 0.36211439447288885
Energy: 0.3719793716379529
Energy: 0.36211439447288885
Energy: 0.3719793716394618
Energy: 0.36211439447288885
Energy: 0.3950849561416299
Energy: 0.3496143667608016
Energy: 0.3950849561420071
Energy: 0.34961436675589747
Energy: 0.39508495614238437
Energy: 0.34961436675552027
Energy: 0.3772491446997809
Energy: 0.3714466937544819
Energy: 0.3772491447001582
Energy: 0.3714466937544819
Energy: 0.37724914470053533
Energy: 0.37144669375485917
Energy: 0.40600432337107945
Energy: 0.37573268704796137
Energy: 0.40600432337107945
Energy: 0.37573268704796137
Energy: 0.40600432337070214
Energy: 0.37573268704758417
Energy: 0.37546465461944406
Energy: 0.3778945156572305
Energy: 0.37546465461982126
Energy: 0.3778945156572305
Energy: 0.37546465461982126
Energy: 0.3778945156572305
Energy: 0.37872183086883143
Energy: 0.37974380139365665
Energy: 0.3787218308684542
Energy: 0.3797438013932794
Energy: 0.3787218308684542
Energy: 0.3797438013932794
Energy: 0.3614727264063832
Energy: 0.37070518390037016
Energy: 0.3614727264056287
Energy: 0.37070518389961565
Energy: 0.3614727264056287
Energy: 0.37070518389961565
Energy: 0.38178373103804086
Energy: 0.38568170720879263
Energy: 0.3817837310384182
Energy: 0.38568170720879263
Energy: 0.3817837310387953
Energy: 0.38568170720879263
Energy: 0.3761055907560807
Energy: 0.45484463126143315
Energy: 0.37610559075645794
Energy: 0.45484463126143315
Energy: 0.37610559075645794
Energy: 0.4548446312618104
Energy: 0.37510405446772166
Energy: 0.3915073521960106
Energy: 0.37510405446734435
Energy: 0.39150735219336996
Energy: 0.37510405446772166
Energy: 0.39150735219261545
Energy: 0.3739881091144049
Energy: 0.37813452706264344
Energy: 0.37398810911402763
Energy: 0.3781345270622662
Energy: 0.37398810911402763
Energy: 0.37813452706264344
Energy: 0.37176882268115374
Energy: 0.4002023983925592
Energy: 0.371768822680022
Energy: 0.4002023983925592
Energy: 0.37176882267964473
Energy: 0.400202398392182
Energy: 0.3648785532905824
Energy: 0.3478949404565243
Energy: 0.3648785532909596
Energy: 0.34789494045841046
Energy: 0.3648785532905824
Energy: 0.34789494045991937
Energy: 0.4127862823390802
Energy: 0.35679592991168646
Energy: 0.4127862823390802
Energy: 0.35679592991168646
Energy: 0.4127862823390802
Energy: 0.35679592991168646
Energy: 0.361533462343088
Energy: 0.3498342274135932
Energy: 0.3615334623434652
Energy: 0.3498342274139704
Energy: 0.361533462343088
Energy: 0.34983422741434766
Energy: 0.39484796203384354
Energy: 0.4158973847112042
Energy: 0.3948479620334662
Energy: 0.41589738471158133
Energy: 0.3948479620334662
Energy: 0.41589738471158133
Energy: 0.3712472805005926
Energy: 0.42480095134777207
Energy: 0.3712472805013471
Energy: 0.4248009513473948
Energy: 0.37124728050210154
Energy: 0.4248009513473948
Energy: 0.34804930410422513
Energy: 0.4118006934919655
Energy: 0.34804930410573415
Energy: 0.41180069349234283
Energy: 0.3480493041076203
Energy: 0.41180069349234283
Energy: 0.3745054702143339
Energy: 0.38557706654576374
Energy: 0.3745054702143339
Energy: 0.38557706654576374
Energy: 0.3745054702139567
Energy: 0.3855770665453865
Energy: 0.37547604593915695
Energy: 0.4002510241868704
Energy: 0.37547604593915695
Energy: 0.40025102418649317
Energy: 0.3754760459395342
Energy: 0.40025102418649317
Energy: 0.38507730931085943
Energy: 0.3932221657373038
Energy: 0.38507730931010503
Energy: 0.3932221657369266
Energy: 0.38507730931010503
Energy: 0.3932221657369266
Energy: 0.39705077611755757
Energy: 0.3467800577828762
Energy: 0.3970507761179348
Energy: 0.3467800577817445
Energy: 0.3970507761179348
Energy: 0.3467800577798583
Energy: 0.3896367734269484
Energy: 0.40537775231040196
Energy: 0.38963677342581665
Energy: 0.40537775231077916
Energy: 0.389636773424685
Energy: 0.4053777523096475
Energy: 0.37564241621713435
Energy: 0.3823746802353914
Energy: 0.37564241621713435
Energy: 0.3823746802353914
Energy: 0.37564241621751154
Energy: 0.38237468023503135
Energy: 0.3479744392261509
Energy: 0.45619443222122635
Energy: 0.34797443922577365
Energy: 0.4561944322216036
Energy: 0.34797443922577365
Energy: 0.45619443222122635
Energy: 0.3955812482317091
Energy: 0.37448594941041985
Energy: 0.39558124823095464
Energy: 0.37448594941041985
Energy: 0.3955812482317091
Energy: 0.37448594941041985
Energy: 0.39324323684967083
Energy: 0.41054065707046367
Energy: 0.39324323684967083
Energy: 0.41054065707046367
Energy: 0.39324323684967083
Energy: 0.41054065707046367
Energy: 0.3976236140140352
Energy: 0.37240361193784627
Energy: 0.3976236140140352
Energy: 0.372403611938978
Energy: 0.39762361401328067
Energy: 0.3724036119370918
Energy: 0.3477219340736532
Energy: 0.35607168006113604
Energy: 0.3477219340725215
Energy: 0.3560716800607588
Energy: 0.3477219340728987
Energy: 0.3560716800607588
Energy: 0.3629032827410052
Energy: 0.41185235092490613
Energy: 0.36290328274175965
Energy: 0.4118523509226426
Energy: 0.3629032827413824
Energy: 0.4118523509245289
Energy: 0.3939591427553428
Energy: 0.4052923991420647
Energy: 0.3939591427564745
Energy: 0.4052923991431965
Energy: 0.39395914275798344
Energy: 0.40529239914281917
Energy: 0.37393894531579247
Energy: 0.377837592259205
Energy: 0.3739389453161525
Energy: 0.37783759225882774
Energy: 0.3739389453161525
Energy: 0.37783759225882774
Energy: 0.3482949317112287
Energy: 0.38041658024649805
Energy: 0.3482949317112287
Energy: 0.38041658024649805
Energy: 0.3482949317112287
Energy: 0.38041658024649805
Energy: 0.38365999023083047
Energy: 0.4497356699427168
Energy: 0.38365999023007596
Energy: 0.4497356699427168
Energy: 0.3836599902304532
Energy: 0.44973566994233954
Energy: 0.38680129229958804
Energy: 0.3821202958323151
Energy: 0.38680129229996524
Energy: 0.3821202958323151
Energy: 0.38680129229996524
Energy: 0.3821202958323151
Energy: 0.3621908998162273
Energy: 0.383861304821631
Energy: 0.3621908998169817
Energy: 0.3838613048212538
Energy: 0.36219089981585
Energy: 0.38386130482200825
Energy: 0.3918260745786151
Energy: 0.3769431323798012
Energy: 0.39182607457899227
Energy: 0.3769431323798012
Energy: 0.39182607457899227
Energy: 0.37694313238017846

minimum gb energy = 0.3467800577798583 eV
minimum distance =  2.65600878724509 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.43623499440822294
Energy: 0.385754934096901
Energy: 0.43623499440775954
Energy: 0.385754934096901
Energy: 0.43623499440775954
Energy: 0.385754934096901
Energy: 0.3931708675307085
Energy: 0.35315318889797537
Energy: 0.39317086752978186
Energy: 0.35315318889797537
Energy: 0.39317086752978186
Energy: 0.35315318889797537
Energy: 0.4098564305923221
Energy: 0.441141138100231
Energy: 0.4098564305923221
Energy: 0.441141138100231
Energy: 0.4098564305927855
Energy: 0.441141138100231
Energy: 0.3489995937078146
Energy: 0.3561714646570757
Energy: 0.3489995937078146
Energy: 0.3561714646570757
Energy: 0.3489995937078146
Energy: 0.3561714646570757
Energy: 0.40101838310744586
Energy: 0.36286204331244226
Energy: 0.40101838310744586
Energy: 0.36286204331290556
Energy: 0.40101838310744586
Energy: 0.36286204331290556
Energy: 0.37055852553153085
Energy: 0.38428014272764344
Energy: 0.37055852553106755
Energy: 0.3842801427285701
Energy: 0.37055852553106755
Energy: 0.38428014272764344
Energy: 0.38918356713208563
Energy: 0.3991498652813855
Energy: 0.38918356713208563
Energy: 0.3991498652813855
Energy: 0.38918356713208563
Energy: 0.3991498652813855
Energy: 0.4066538896917092
Energy: 0.3792653503331624
Energy: 0.4066538896917092
Energy: 0.3792653503331624
Energy: 0.4066538896917092
Energy: 0.3792653503331624
Energy: 0.40786721419476113
Energy: 0.3975860304312699
Energy: 0.4078672141942977
Energy: 0.3975860304312699
Energy: 0.4078672141942977
Energy: 0.3975860304312699
Energy: 0.3602381754894878
Energy: 0.39421509580587577
Energy: 0.3602381754894878
Energy: 0.39421509580402225
Energy: 0.3602381754894878
Energy: 0.39421509580541236
Energy: 0.3861479227389132
Energy: 0.36567004356458843
Energy: 0.3861479227407667
Energy: 0.36567004356505184
Energy: 0.3861479227389132
Energy: 0.36567004356644195
Energy: 0.4066116994556091
Energy: 0.39174610546076827
Energy: 0.4066116994556091
Energy: 0.39174610546076827
Energy: 0.4066116994556091
Energy: 0.3917461054612316
Energy: 0.3856463937236757
Energy: 0.4294051376832705
Energy: 0.3856463937241391
Energy: 0.4294051376832705
Energy: 0.3856463937241391
Energy: 0.4294051376832705
Energy: 0.3505984018582234
Energy: 0.44259941924159124
Energy: 0.35059840185776003
Energy: 0.44259941923927437
Energy: 0.35059840185776003
Energy: 0.4425994192378843
Energy: 0.38774101516881226
Energy: 0.36293143193270666
Energy: 0.38774101516881226
Energy: 0.3629314319345601
Energy: 0.38774101516881226
Energy: 0.36293143193363336
Energy: 0.35909379756271226
Energy: 0.4008904077557111
Energy: 0.359093797563639
Energy: 0.4008904077557111
Energy: 0.359093797563639
Energy: 0.4008904077557111
Energy: 0.37982539787225034
Energy: 0.4025101008088195
Energy: 0.3798253978727137
Energy: 0.4025101008088195
Energy: 0.3798253978727137
Energy: 0.4025101008088195
Energy: 0.42766309510193284
Energy: 0.37091220974238487
Energy: 0.42766309510193284
Energy: 0.37091220974238487
Energy: 0.42766309510239614
Energy: 0.37091220974238487
Energy: 0.4271570473460947
Energy: 0.3569318895536568
Energy: 0.4271570473460947
Energy: 0.3569318895536568
Energy: 0.42715704734565246
Energy: 0.3569318895536568
Energy: 0.3794522651678743
Energy: 0.39894379922186607
Energy: 0.3794522651678743
Energy: 0.39894379922140266
Energy: 0.3794522651678743
Energy: 0.39894379922140266
Energy: 0.3585170110047111
Energy: 0.3868581285640639
Energy: 0.3585170110047111
Energy: 0.38685812856267376
Energy: 0.3585170110051745
Energy: 0.3868581285640639
Energy: 0.42815471609733713
Energy: 0.3958616092102088
Energy: 0.4281547160968737
Energy: 0.3958616092102088
Energy: 0.42815471609733713
Energy: 0.3958616092102088
Energy: 0.35054601114490613
Energy: 0.40006066044051475
Energy: 0.3505460111444428
Energy: 0.40006066044051475
Energy: 0.35054601114490613
Energy: 0.40006066044051475
Energy: 0.38563078432831654
Energy: 0.4259168867658377
Energy: 0.38563078432877995
Energy: 0.4259168867658377
Energy: 0.38563078432877995
Energy: 0.4259168867658377
Energy: 0.3617869210842957
Energy: 0.4026985997830092
Energy: 0.3617869210842957
Energy: 0.4026985997830092
Energy: 0.361786921083369
Energy: 0.4026985997830092
Energy: 0.42815441671062276
Energy: 0.39051542095649455
Energy: 0.42815441671015936
Energy: 0.39051542095649455
Energy: 0.4281544167110861
Energy: 0.39051542095649455
Energy: 0.36631593381092004
Energy: 0.3530591605254949
Energy: 0.36631593381092004
Energy: 0.35305916052827513
Energy: 0.36631593381045663
Energy: 0.35305916052456815
Energy: 0.40658031554582436
Energy: 0.39961001795205264
Energy: 0.40658031554582436
Energy: 0.399610017952516
Energy: 0.4065803155462877
Energy: 0.39961001795205264
Energy: 0.36182753349843816
Energy: 0.3795729184400844
Energy: 0.3618275334975114
Energy: 0.3795729184400844
Energy: 0.36182753349843816
Energy: 0.3795729184400844
Energy: 0.3877246330239442
Energy: 0.40766635944869417
Energy: 0.3877246330244076
Energy: 0.40766635944869417
Energy: 0.3877246330239442
Energy: 0.40766635944869417
Energy: 0.38670826193458463
Energy: 0.38420163953193104
Energy: 0.38670826193458463
Energy: 0.38420163953193104
Energy: 0.38670826193458463
Energy: 0.38420163953193104

minimum gb energy = 0.3489995937078146 eV
minimum distance =  2.68181869911424 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.4039761603244579
Energy: 0.35429416015254156
Energy: 0.4039761603238579
Energy: 0.3542941601531415
Energy: 0.4039761603244579
Energy: 0.3542941601531415
Energy: 0.36834448438736656
Energy: 0.32787256052567365
Energy: 0.3683444843867666
Energy: 0.3278725605274735
Energy: 0.3683444843867666
Energy: 0.3278725605274735
Energy: 0.3778029043477481
Energy: 0.4111320089129933
Energy: 0.3778029043477481
Energy: 0.4111320089129933
Energy: 0.3778029043477481
Energy: 0.4111320089129933
Energy: 0.3556091735581873
Energy: 0.3510690333665907
Energy: 0.3556091735581873
Energy: 0.3510690333665907
Energy: 0.3556091735587873
Energy: 0.3510690333659907
Energy: 0.43208975156640567
Energy: 0.3918446527744107
Energy: 0.4320897515646058
Energy: 0.3918446527738108
Energy: 0.4320897515646058
Energy: 0.3918446527738108
Energy: 0.3768075874743415
Energy: 0.3933556655792372
Energy: 0.3768075874743415
Energy: 0.3933556655792372
Energy: 0.3768075874737416
Energy: 0.3933556655792372
Energy: 0.39425817405734576
Energy: 0.39257439072964684
Energy: 0.39425817405734576
Energy: 0.3925743907290468
Energy: 0.39425817405734576
Energy: 0.3925743907290468
Energy: 0.40188067690536405
Energy: 0.3609341112212909
Energy: 0.40188067690476414
Energy: 0.3609341112212909
Energy: 0.40188067690476414
Energy: 0.3609341112212909
Energy: 0.3932702581823557
Energy: 0.3785890388575714
Energy: 0.3932702581841556
Energy: 0.3785890388575714
Energy: 0.39327025818295575
Energy: 0.3785890388575714
Energy: 0.3354348660517542
Energy: 0.3705477014857831
Energy: 0.3354348660517542
Energy: 0.370547701486383
Energy: 0.33543486605115425
Energy: 0.370547701486383
Energy: 0.3947856677324463
Energy: 0.3503111582534566
Energy: 0.3947856677324463
Energy: 0.35031115825405656
Energy: 0.3947856677324463
Energy: 0.35031115825405656
Energy: 0.3904782108124328
Energy: 0.3873370974680616
Energy: 0.3904782109101715
Energy: 0.3873370974680616
Energy: 0.3904782108562025
Energy: 0.3873370974680616
Energy: 0.36311475361779205
Energy: 0.378564543332249
Energy: 0.363114753617192
Energy: 0.378564543332249
Energy: 0.36311475361779205
Energy: 0.37856454333104905
Energy: 0.4182988448289336
Energy: 0.3315099489770956
Energy: 0.41829884482833357
Energy: 0.3315099489776956
Energy: 0.41829884482833357
Energy: 0.3315099489764957
Energy: 0.38932737436801196
Energy: 0.35477152195059936
Energy: 0.38932737436981185
Energy: 0.3547715219499995
Energy: 0.3893273743662121
Energy: 0.3547715219499995
Energy: 0.4142488777135031
Energy: 0.3763751646067971
Energy: 0.41424887771530294
Energy: 0.3763751646067971
Energy: 0.41424887771410307
Energy: 0.3763751646067971
Energy: 0.3355382321033055
Energy: 0.3694378680518155
Energy: 0.3355382321033055
Energy: 0.3694378680518155
Energy: 0.3355382321033055
Energy: 0.3694378680518155
Energy: 0.3928288638524979
Energy: 0.3352360768973974
Energy: 0.3928288638518979
Energy: 0.33523607689679746
Energy: 0.39282886385309784
Energy: 0.3352360768961975
Energy: 0.3355885689755522
Energy: 0.3693069617275263
Energy: 0.3355885689755522
Energy: 0.36930696172812627
Energy: 0.3355885689755522
Energy: 0.3693069617275263
Energy: 0.4142380278890099
Energy: 0.37627659281731457
Energy: 0.4142380278890099
Energy: 0.37627659281671455
Energy: 0.4142380278890099
Energy: 0.37627659281731457
Energy: 0.38933298768499736
Energy: 0.3547613334619324
Energy: 0.38933298768499736
Energy: 0.354761333467332
Energy: 0.38933298768679725
Energy: 0.354761333467332
Energy: 0.41834912735286334
Energy: 0.39451514593230735
Energy: 0.41834912735286334
Energy: 0.3945151459329073
Energy: 0.4183491273534633
Energy: 0.3945151459329073
Energy: 0.36312096830255586
Energy: 0.3785110142956587
Energy: 0.36312096830375573
Energy: 0.3785110142956587
Energy: 0.36312096830255586
Energy: 0.3785110142956587
Energy: 0.389528404634159
Energy: 0.3873304340977116
Energy: 0.389528410917144
Energy: 0.3873304340983116
Energy: 0.3895284075330773
Energy: 0.3873304340983116

minimum gb energy = 0.32787256052567365 eV
minimum distance =  2.6791511911574 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.39902996748441877
Energy: 0.34996813350623507
Energy: 0.39902996748526726
Energy: 0.34996813350623507
Energy: 0.39902996748441877
Energy: 0.34996813350623507
Energy: 0.38468005892739954
Energy: 0.327614279236556
Energy: 0.38468005892570256
Energy: 0.3276142792348591
Energy: 0.38468005892570256
Energy: 0.3276142792348591
Energy: 0.37115842936944543
Energy: 0.37998996133164187
Energy: 0.37115842936944543
Energy: 0.37998996133079344
Energy: 0.37115842936944543
Energy: 0.37998996133079344
Energy: 0.3853035484277078
Energy: 0.3493228294049944
Energy: 0.3853035484277078
Energy: 0.3493228294049944
Energy: 0.3853035484277078
Energy: 0.3493228294049944
Energy: 0.3837253568772561
Energy: 0.34696759634831836
Energy: 0.3837253568772561
Energy: 0.3469675963491668
Energy: 0.3837253568772561
Energy: 0.34696759634831836
Energy: 0.3397009156533163
Energy: 0.32922773405405414
Energy: 0.3397009156533163
Energy: 0.32922773405320566
Energy: 0.33970091565416477
Energy: 0.32922773405405414
Energy: 0.33274191472768594
Energy: 0.34348991244211985
Energy: 0.3327419147285345
Energy: 0.34348991244211985
Energy: 0.33274191472768594
Energy: 0.3434899124429682
Energy: 0.3736382277711166
Energy: 0.40381880025502176
Energy: 0.3736382277711166
Energy: 0.40381880025502176
Energy: 0.3736382277711166
Energy: 0.40381880025502176
Energy: 0.34332349189196426
Energy: 0.3281772615354799
Energy: 0.34332349189196426
Energy: 0.3281772615354799
Energy: 0.34332349189281275
Energy: 0.3281772615354799
Energy: 0.3558400741133182
Energy: 0.3375795954952426
Energy: 0.3558400741141667
Energy: 0.33757959549609107
Energy: 0.3558400741141667
Energy: 0.33757959549609107
Energy: 0.3491873299199314
Energy: 0.39959479115941265
Energy: 0.3491873299207799
Energy: 0.39959479115941265
Energy: 0.3491873299199314
Energy: 0.39959479115941265
Energy: 0.34330170216982026
Energy: 0.38022192203821514
Energy: 0.3433017021681233
Energy: 0.38022192203906363
Energy: 0.34330170216727485
Energy: 0.38022192203821514
Energy: 0.3194651665604313
Energy: 0.38474601893806787
Energy: 0.3194651665604313
Energy: 0.3847460189389163
Energy: 0.3194651665604313
Energy: 0.38474601893806787
Energy: 0.3553039446505602
Energy: 0.3508892608568675
Energy: 0.3553039446505602
Energy: 0.3508892608568675
Energy: 0.3553039446505602
Energy: 0.3508892608568675
Energy: 0.3391425758711549
Energy: 0.4468087032071598
Energy: 0.33914257587200336
Energy: 0.4468087032071598
Energy: 0.3391425758703064
Energy: 0.4468087032071598
Energy: 0.33977857749699575
Energy: 0.3300117766498156
Energy: 0.33977857749614726
Energy: 0.33001177664896714
Energy: 0.33977857749699575
Energy: 0.33001177664896714
Energy: 0.354107783704072
Energy: 0.35103467443482234
Energy: 0.354107783704072
Energy: 0.35103467443482234
Energy: 0.354107783704072
Energy: 0.35103467443482234

minimum gb energy = 0.3194651665604313 eV
minimum distance =  2.64695782360589 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.3840657159375764
Energy: 0.35116844685756615
Energy: 0.3707742718405852
Energy: 0.35116844685691084
Energy: 0.38406571593724875
Energy: 0.35116844685723847
Energy: 0.4002748016030693
Energy: 0.3611123637240498
Energy: 0.38665303354266417
Energy: 0.3332100415649883
Energy: 0.400274801607001
Energy: 0.3611123637194627
Energy: 0.3715689640694175
Energy: 0.3508176729400161
Energy: 0.3789891357571918
Energy: 0.35081767293870547
Energy: 0.37156896407171097
Energy: 0.35081767293870547
Energy: 0.36259333648471326
Energy: 0.3634138361696055
Energy: 0.3628057734342219
Energy: 0.36781316227441374
Energy: 0.3625933364876622
Energy: 0.3634138361686226
Energy: 0.38731833190548354
Energy: 0.3873926165283269
Energy: 0.38731833190319004
Energy: 0.38739261652898216
Energy: 0.38731833190122406
Energy: 0.38739261652898216
Energy: 0.33932072398622776
Energy: 0.3486447295768858
Energy: 0.3381645401407006
Energy: 0.34864472957295406
Energy: 0.33932072399638485
Energy: 0.34864472957262643
Energy: 0.34601778973155706
Energy: 0.33361055158258346
Energy: 0.3460177897322123
Energy: 0.3336105515881535
Energy: 0.3460177897361441
Energy: 0.3336105515806176
Energy: 0.42013411745629475
Energy: 0.4087586054454709
Energy: 0.42013411745367363
Energy: 0.4087586054487473
Energy: 0.4201341174556395
Energy: 0.4087586054487473
Energy: 0.3416252077757627
Energy: 0.36068198645182786
Energy: 0.34162520777838384
Energy: 0.36068198645346605
Energy: 0.34162520777936684
Energy: 0.36068198645281085
Energy: 0.3399634320048279
Energy: 0.3178233949265069
Energy: 0.33996343200253437
Energy: 0.31782339492552397
Energy: 0.33996343200646617
Energy: 0.31782339492552397
Energy: 0.31813751026821896
Energy: 0.4065262045857583
Energy: 0.3181375102639595
Energy: 0.40652620458444766
Energy: 0.31813751026658066
Energy: 0.40652620458412
Energy: 0.3474046444821223
Energy: 0.33077403015862045
Energy: 0.34740464448507113
Energy: 0.3307740301635352
Energy: 0.34740464448179464
Energy: 0.3307740301622246
Energy: 0.3438159067379505
Energy: 0.3372709326565292
Energy: 0.3438159067379505
Energy: 0.3372709326542356
Energy: 0.3438159067389334
Energy: 0.33727093265456326
Energy: 0.3311017693662536
Energy: 0.37571830426667074
Energy: 0.3311017693662536
Energy: 0.37571830427060254
Energy: 0.33110176936887475
Energy: 0.37571830427060254
Energy: 0.3675206369819447
Energy: 0.38482915072832075
Energy: 0.36722560910007557
Energy: 0.3848291507263549
Energy: 0.36752063698522114
Energy: 0.38482915072569956
Energy: 0.32006498216514495
Energy: 0.385675468298686
Energy: 0.32061750124342236
Energy: 0.3856754683013072
Energy: 0.3200649821628514
Energy: 0.38567546830097954
Energy: 0.33485228037040965
Energy: 0.35860269814761736
Energy: 0.3348522803733585
Energy: 0.35860269814663437
Energy: 0.33485228037303083
Energy: 0.35860269814663437
Energy: 0.35404673051775165
Energy: 0.41692714736158526
Energy: 0.35404673051513047
Energy: 0.4169271473625683
Energy: 0.35404673051709634
Energy: 0.4169271473625683
Energy: 0.3265503418815346
Energy: 0.3904238483370257
Energy: 0.32655034187891335
Energy: 0.390423848331128
Energy: 0.32655034187563686
Energy: 0.390423848331128
Energy: 0.3344656514266561
Energy: 0.31219134896634715
Energy: 0.3344656514240349
Energy: 0.31219134896634715
Energy: 0.3344656514230519
Energy: 0.3121913489650366
Energy: 0.3481099185813183
Energy: 0.39071616506822027
Energy: 0.348109918580663
Energy: 0.39071616507477325
Energy: 0.34810991858197354
Energy: 0.39071616507477325
Energy: 0.32956558713801376
Energy: 0.4169839782937079
Energy: 0.3295655871422434
Energy: 0.41698397830058853
Energy: 0.32956558714322637
Energy: 0.41698397830058853
Energy: 0.3350249484780974
Energy: 0.3337348915315872
Energy: 0.3350249484790803
Energy: 0.3337348915299489
Energy: 0.33502494847940795
Energy: 0.33373489153027663
Energy: 0.3184280422968394
Energy: 0.4175313166290756
Energy: 0.31842804229421817
Energy: 0.41753131663399035
Energy: 0.3184280422968394
Energy: 0.41753131663366266
Energy: 0.34549602076697467
Energy: 0.4186222040054734
Energy: 0.3454960207676299
Energy: 0.41862220400416283
Energy: 0.34549602076697467
Energy: 0.4186222040044905
Energy: 0.3428845030254247
Energy: 0.3798533480794901
Energy: 0.3310833580956008
Energy: 0.379853348081456
Energy: 0.3428845030323054
Energy: 0.379853348081456
Energy: 0.34870451577592615
Energy: 0.33551511846078025
Energy: 0.3353174778099377
Energy: 0.335515118459142
Energy: 0.34870451577330497
Energy: 0.3355151184588144
Energy: 0.36920627268754885
Energy: 0.33013506542435994
Energy: 0.37538828976395383
Energy: 0.33013506542370463
Energy: 0.3692062726898424
Energy: 0.3301350654227217
Energy: 0.3214003093246881
Energy: 0.41111345099900676
Energy: 0.3222276437613015
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Energy: 0.3214003093246881
Energy: 0.4111134509918283
Energy: 0.3402323852839722
Energy: 0.3178678841393983
Energy: 0.3402323852813511
Energy: 0.3178678841390707
Energy: 0.3402323852852828
Energy: 0.31786788414038125
Energy: 0.3466008743676993
Energy: 0.3502333554185584
Energy: 0.34660087436540576
Energy: 0.35023335541986894
Energy: 0.34660087437032044
Energy: 0.35023335541986894
Energy: 0.38625761199497827
Energy: 0.43846334687777366
Energy: 0.3862576119953059
Energy: 0.43846334688039484
Energy: 0.3862576119979272
Energy: 0.43846334687875654
Energy: 0.30863523110966856
Energy: 0.32640884106835255
Energy: 0.3086352311136003
Energy: 0.3264088410690078
Energy: 0.30863523111261737
Energy: 0.3264088410690078
Energy: 0.3403271210748005
Energy: 0.3241136035819355
Energy: 0.3403271210734899
Energy: 0.324113603584229
Energy: 0.3403271210731622
Energy: 0.3241136035839014
Energy: 0.389275811730142
Energy: 0.38118447589795706
Energy: 0.389275811730142
Energy: 0.3811844758943529
Energy: 0.3892758117317803
Energy: 0.38118447589107646
Energy: 0.3741563237209378
Energy: 0.33254402136104105
Energy: 0.37415632372290375
Energy: 0.33254402136038574
Energy: 0.37415632372257607
Energy: 0.33254402136038574
Energy: 0.35276101803641075
Energy: 0.3483254501621622
Energy: 0.3527610180347725
Energy: 0.3483254501621622
Energy: 0.3527610180357554
Energy: 0.3483254501624899
Energy: 0.39233521992088
Energy: 0.3317553412726816
Energy: 0.3923352199205523
Energy: 0.3317553412680945
Energy: 0.3923352199185864
Energy: 0.3317553412680945
Energy: 0.3707742718386193
Energy: 0.35116844685691084
Energy: 0.37077427183829165
Energy: 0.3511684468559279
Energy: 0.37077427183796396
Energy: 0.3511684468559279
Energy: 0.38665303354266417
Energy: 0.3285671905096639
Energy: 0.38665303354266417
Energy: 0.3285671905037662
Energy: 0.38665303353938757
Energy: 0.328567190506715
Energy: 0.38226585250000195
Energy: 0.3509084304471141
Energy: 0.38226595598606145
Energy: 0.3509084304507183
Energy: 0.3822658524967254
Energy: 0.3509084304507183
Energy: 0.3627388962747491
Energy: 0.35828894082216206
Energy: 0.36275527910287403
Energy: 0.3582889408208515
Energy: 0.362738896275732
Energy: 0.3582889408211792
Energy: 0.38731833190548354
Energy: 0.38737053506018476
Energy: 0.3873183319045006
Energy: 0.38737053506149544
Energy: 0.38731833190155174
Energy: 0.38737053506149544

minimum gb energy = 0.30863523110966856 eV
minimum distance =  2.60434003346075 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.35254957196538905
Energy: 0.31984949546783475
Energy: 0.352549571966456
Energy: 0.31984949546783475
Energy: 0.352549571966456
Energy: 0.31984949546783475
Energy: 0.3605199764587568
Energy: 0.30583961298702167
Energy: 0.3605199764598237
Energy: 0.30583961298648815
Energy: 0.3605199764587568
Energy: 0.3058396129859547
Energy: 0.3394280602408542
Energy: 0.3258515175657816
Energy: 0.33942806024032074
Energy: 0.3258515175657816
Energy: 0.3394280602397872
Energy: 0.3258515175657816
Energy: 0.3361749009163006
Energy: 0.32088546871811335
Energy: 0.33617490091683405
Energy: 0.32088546871811335
Energy: 0.3361749009163006
Energy: 0.32088546871757984
Energy: 0.3608162009554366
Energy: 0.29633853412291666
Energy: 0.36081620095597006
Energy: 0.2963385341250507
Energy: 0.3608162009554366
Energy: 0.2963385341250507
Energy: 0.31572155160284465
Energy: 0.31023233657272553
Energy: 0.31572155160337817
Energy: 0.31023233657272553
Energy: 0.3157215516023112
Energy: 0.31023233657272553
Energy: 0.2995533540315611
Energy: 0.3148316020367254
Energy: 0.2995533540331615
Energy: 0.31483160203779237
Energy: 0.2995533540331615
Energy: 0.31483160203779237
Energy: 0.3870579811444829
Energy: 0.36459738129732727
Energy: 0.3870579811444829
Energy: 0.36459738129786073
Energy: 0.3870579811439494
Energy: 0.36459738129679375
Energy: 0.30899908683780875
Energy: 0.31147995136566003
Energy: 0.3089990868372753
Energy: 0.3114799513661935
Energy: 0.3089990868388757
Energy: 0.3114799513661935
Energy: 0.3216030221352546
Energy: 0.3127335765101331
Energy: 0.3216030221341876
Energy: 0.31273357650959965
Energy: 0.32160302213312064
Energy: 0.3127335765101331
Energy: 0.39569268902712423
Energy: 0.38838170830676694
Energy: 0.39569268902712423
Energy: 0.3883817083062334
Energy: 0.3956926890265907
Energy: 0.38838170830676694
Energy: 0.3122599457456165
Energy: 0.352312475423136
Energy: 0.3122599457456165
Energy: 0.3523124754236695
Energy: 0.31225994574615
Energy: 0.35231247542420296
Energy: 0.32018173300350083
Energy: 0.32806218156683586
Energy: 0.32018173300670183
Energy: 0.32806218156683586
Energy: 0.3201817330051013
Energy: 0.32806218156683586
Energy: 0.301202377501459
Energy: 0.3680115971934945
Energy: 0.301202377501459
Energy: 0.36801159719402804
Energy: 0.30120237750199247
Energy: 0.3680115971934945
Energy: 0.332145569437803
Energy: 0.31136345592967934
Energy: 0.332145569437803
Energy: 0.3113634559291458
Energy: 0.3321455694383365
Energy: 0.3113634559302128
Energy: 0.31845731661108506
Energy: 0.36351587636288896
Energy: 0.31845731661215204
Energy: 0.36351587636288896
Energy: 0.31845731661215204
Energy: 0.36351587636288896
Energy: 0.3159555996859494
Energy: 0.3634382287679902
Energy: 0.3159555996864829
Energy: 0.3634382287679902
Energy: 0.3159555996864829
Energy: 0.3634382287679902
Energy: 0.3786748549171974
Energy: 0.346857774757282
Energy: 0.3786748549171974
Energy: 0.3468577747567485
Energy: 0.3786748549171974
Energy: 0.346857774757282
Energy: 0.3016728046738324
Energy: 0.3771968585185523
Energy: 0.3016728046748994
Energy: 0.3771968585185523
Energy: 0.30167280467329893
Energy: 0.3771968585185523
Energy: 0.30155631814214456
Energy: 0.31823921436572783
Energy: 0.3015563181432116
Energy: 0.3182392143662613
Energy: 0.3015563181432116
Energy: 0.31823921436572783
Energy: 0.36516871477876633
Energy: 0.39446084924574254
Energy: 0.3651687147792998
Energy: 0.39446084924574254
Energy: 0.3651687147776993
Energy: 0.39446084924574254
Energy: 0.30431583091883674
Energy: 0.3806450214405004
Energy: 0.3043158309177697
Energy: 0.3806450214399669
Energy: 0.3043158309177697
Energy: 0.3806450214399669
Energy: 0.3204314241766726
Energy: 0.3131282804857841
Energy: 0.3204314241761391
Energy: 0.3131282804857841
Energy: 0.3204314241766726
Energy: 0.3131282804857841
Energy: 0.31822279472856024
Energy: 0.3918471504859374
Energy: 0.31822279472906945
Energy: 0.3918471504859374
Energy: 0.31822279472856024
Energy: 0.3918471504859374
Energy: 0.36345438735786945
Energy: 0.4010658514232221
Energy: 0.36345438735840285
Energy: 0.4010658514232221
Energy: 0.36345438736000335
Energy: 0.40106585142268864
Energy: 0.3181665579250528
Energy: 0.3129613889923386
Energy: 0.3181665579245193
Energy: 0.3129613889923386
Energy: 0.3181665579245193
Energy: 0.31296138899287207
Energy: 0.30697037155756807
Energy: 0.37673872837311256
Energy: 0.30697037155756807
Energy: 0.37673872837204553
Energy: 0.3069703715570346
Energy: 0.376738728372579

minimum gb energy = 0.29633853412291666 eV
minimum distance =  2.61686487525031 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.37579637238655017
Energy: 0.29967042814279526
Energy: 0.3757963723873275
Energy: 0.29967042814279526
Energy: 0.37579637238693886
Energy: 0.2996704281424065
Energy: 0.3231540536406917
Energy: 0.28615692711582036
Energy: 0.3231540536414691
Energy: 0.28615692711620905
Energy: 0.3231540536414691
Energy: 0.28615692711620905
Energy: 0.30409483074525884
Energy: 0.309053272586598
Energy: 0.3040948307456476
Energy: 0.30905327258698667
Energy: 0.3040948307448702
Energy: 0.309053272586598
Energy: 0.3615016843944822
Energy: 0.289062531885347
Energy: 0.36150168439564834
Energy: 0.289062531885347
Energy: 0.3615016843952596
Energy: 0.289062531885347
Energy: 0.32372765033067763
Energy: 0.27295611888855514
Energy: 0.3237276503310664
Energy: 0.2729561188897212
Energy: 0.32372765033145506
Energy: 0.27295611888855514
Energy: 0.28455794156578096
Energy: 0.2878282302760859
Energy: 0.28455794156578096
Energy: 0.2878282302760859
Energy: 0.28455794156578096
Energy: 0.2878282302756972
Energy: 0.35490409528952227
Energy: 0.28667257140234803
Energy: 0.35490409528952227
Energy: 0.2866725714019593
Energy: 0.35490409528991096
Energy: 0.28667257140234803
Energy: 0.3244677961390513
Energy: 0.33899927124534707
Energy: 0.3244677961398287
Energy: 0.3389992712457358
Energy: 0.32446779613866256
Energy: 0.33899927124534707
Energy: 0.27872930289149667
Energy: 0.28746490528760776
Energy: 0.2787293028911079
Energy: 0.287464905287219
Energy: 0.27872930289149667
Energy: 0.28746490528605295
Energy: 0.3457936626766238
Energy: 0.27962598981305176
Energy: 0.34579366267740125
Energy: 0.27962598981344045
Energy: 0.3457936626766238
Energy: 0.27962598981344045
Energy: 0.3490431622213708
Energy: 0.33647641674326806
Energy: 0.3490431622213708
Energy: 0.33647641674326806
Energy: 0.3490431622213708
Energy: 0.33647641674326806
Energy: 0.27823323910741854
Energy: 0.31116494985246357
Energy: 0.27823323910702985
Energy: 0.31116494985246357
Energy: 0.27823323910741854
Energy: 0.31116494985246357
Energy: 0.32013860422817203
Energy: 0.27324647004895924
Energy: 0.32013860422778334
Energy: 0.27324647004895924
Energy: 0.32013860422817203
Energy: 0.27324647004934793
Energy: 0.35562942150260746
Energy: 0.34964621507215443
Energy: 0.35562942150260746
Energy: 0.3496462150725432
Energy: 0.35562942150260746
Energy: 0.3496462150725432
Energy: 0.2783646248116402
Energy: 0.31447913157298696
Energy: 0.27836462481202884
Energy: 0.31447913157298696
Energy: 0.2783646248124176
Energy: 0.31447913157259827
Energy: 0.32105353396208997
Energy: 0.2825188818290367
Energy: 0.32105353396208997
Energy: 0.2825188818290367
Energy: 0.32105353396208997
Energy: 0.2825188818290367
Energy: 0.34384705473012916
Energy: 0.3451632623493136
Energy: 0.34384705472935173
Energy: 0.3451632623497023
Energy: 0.3438470547297405
Energy: 0.3451632623493136
Energy: 0.28066061114416035
Energy: 0.2729101538049895
Energy: 0.2806606111445491
Energy: 0.2729101538065443
Energy: 0.2806606111445491
Energy: 0.2729101538065443
Energy: 0.2852083964259119
Energy: 0.2963385631268493
Energy: 0.2852083964259119
Energy: 0.2963385631268493
Energy: 0.2852083964255232
Energy: 0.2963385631268493
Energy: 0.28294082459739583
Energy: 0.3146932701404463
Energy: 0.2829408245977846
Energy: 0.3146932701404463
Energy: 0.2829408245966184
Energy: 0.3146932701404463
Energy: 0.3008492589255494
Energy: 0.2855951983126008
Energy: 0.3008492589255494
Energy: 0.2855951983129895
Energy: 0.30084925892632686
Energy: 0.2855951983122121
Energy: 0.2980789590014404
Energy: 0.32813906351659494
Energy: 0.2980789590014404
Energy: 0.3281390635162063
Energy: 0.2980789590018291
Energy: 0.32813906351659494
Energy: 0.292707967195712
Energy: 0.3236018891569712
Energy: 0.292707967195712
Energy: 0.3236018891569712
Energy: 0.2927079671953233
Energy: 0.3236018891569712
Energy: 0.3370304576616297
Energy: 0.34955551919608435
Energy: 0.3370304576608523
Energy: 0.34955551919569566
Energy: 0.337030457661241
Energy: 0.34955551919569566
Energy: 0.2776646084422629
Energy: 0.3236046731228154
Energy: 0.2776646084422629
Energy: 0.3236046731228154
Energy: 0.2776646084418742
Energy: 0.3236046731228154
Energy: 0.2748990261001944
Energy: 0.2920434623559762
Energy: 0.2748990260990282
Energy: 0.2920434623559762
Energy: 0.2748990260990282
Energy: 0.2920434623559762
Energy: 0.28456577849258763
Energy: 0.3527560777370316
Energy: 0.28456577849142145
Energy: 0.3527560777370316
Energy: 0.2845657784921989
Energy: 0.3527560777370316
Energy: 0.2661313195162185
Energy: 0.31885152653571014
Energy: 0.2661313195158298
Energy: 0.31885152653609883
Energy: 0.2661313195162185
Energy: 0.31885152653609883
Energy: 0.2832266783705239
Energy: 0.2791113541093112
Energy: 0.28322667836974647
Energy: 0.2791113541093112
Energy: 0.2832266783705239
Energy: 0.2791113541096999
Energy: 0.277107290406892
Energy: 0.348842671253996
Energy: 0.277107290406892
Energy: 0.3488426712543847
Energy: 0.2771072904076694
Energy: 0.3488426712543847
Energy: 0.26782511172279905
Energy: 0.3202818721652988
Energy: 0.2678251117224103
Energy: 0.32028187216491005
Energy: 0.26782511172279905
Energy: 0.3202818721652988
Energy: 0.28364433543332684
Energy: 0.27836759788591214
Energy: 0.28364433543332684
Energy: 0.27836759788591214
Energy: 0.2836443354329381
Energy: 0.27836759788591214
Energy: 0.2769864346286182
Energy: 0.3385470335101302
Energy: 0.2769864346286182
Energy: 0.3385470335101302
Energy: 0.2769864346278408
Energy: 0.3385470335101302
Energy: 0.3430736585677933
Energy: 0.34734605123092205
Energy: 0.3430736585677933
Energy: 0.34734605123092205
Energy: 0.34307365856740457
Energy: 0.34734605123092205
Energy: 0.2926395779803829
Energy: 0.2773788325494158
Energy: 0.29263957798077167
Energy: 0.2773788325486561
Energy: 0.2926395779811603
Energy: 0.2773788325490448
Energy: 0.2642010637452061
Energy: 0.3145614344274719
Energy: 0.26420106374559477
Energy: 0.31456143442824935
Energy: 0.26420106374559477
Energy: 0.3145614344274719

minimum gb energy = 0.2642010637452061 eV
minimum distance =  2.6130539847627 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.17886364613469466
Energy: 0.19681432997176015
Energy: 0.07917744799533949
Energy: 0.19681432997163034
Energy: 0.1788636461348245
Energy: 0.1968143299720523
Energy: 0.28741222104978176
Energy: 0.07964389184224897
Energy: 0.2874122210496357
Energy: 0.0796438918423788
Energy: 0.28741222104978176
Energy: 0.0796438918423788
Energy: 0.29145052222139106
Energy: 0.07943022179648501
Energy: 0.2914505222218293
Energy: 0.07943022179677715
Energy: 0.2914505222215371
Energy: 0.07943022179706927
Energy: 0.07917744799533949
Energy: 0.19681432997119214
Energy: 0.07917744799548554
Energy: 0.1968143299713382
Energy: 0.07917744799519341
Energy: 0.1968143299713382
Energy: 0.2874122210499278
Energy: 0.07964389184296307
Energy: 0.28741222104978176
Energy: 0.0796438918423788
Energy: 0.28741222105005765
Energy: 0.07964389184296307
Energy: 0.2914505222215371
Energy: 0.07943022179648501
Energy: 0.2914505222219591
Energy: 0.07943022179648501
Energy: 0.2914505222215371
Energy: 0.07943022179620911
Energy: 0.17886364613497055
Energy: 0.19681432997163034
Energy: 0.07917744799533949
Energy: 0.19681432997163034
Energy: 0.17886364613511663
Energy: 0.1968143299714843
Energy: 0.2874122210502037
Energy: 0.07964389184195685
Energy: 0.2874122210499278
Energy: 0.07964389184224897
Energy: 0.28741222105034986
Energy: 0.07964389184296307
Energy: 0.29145052222096907
Energy: 0.07943022179734517
Energy: 0.29145052222168316
Energy: 0.07943022179734517
Energy: 0.29145052222082307
Energy: 0.07943022179719911
Energy: 0.07917744799548554
Energy: 0.19681432997190626
Energy: 0.07917744799548554
Energy: 0.19681432997190626
Energy: 0.07917744799533949
Energy: 0.19681432997190626

minimum gb energy = 0.07917744799519341 eV
minimum distance =  2.74380944051829 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.3885216780413044
Energy: 0.30082593593583473
Energy: 0.3885216780413044
Energy: 0.30082593593540735
Energy: 0.3885216780413044
Energy: 0.30082593593540735
Energy: 0.31345905473813324
Energy: 0.27957368022619133
Energy: 0.31345905473813324
Energy: 0.27957368022619133
Energy: 0.31345905473813324
Energy: 0.27957368022619133
Energy: 0.3548344406265114
Energy: 0.27915733739464177
Energy: 0.339457158388332
Energy: 0.27915733739421433
Energy: 0.339457158388332
Energy: 0.27915733739506915
Energy: 0.36303745626536355
Energy: 0.300243389410891
Energy: 0.36303745626536355
Energy: 0.300243389410891
Energy: 0.36303745626536355
Energy: 0.30024338941131834
Energy: 0.30195299025390027
Energy: 0.31526750652967345
Energy: 0.30195299025390027
Energy: 0.3152675065301009
Energy: 0.30195299025432765
Energy: 0.31526750653052826
Energy: 0.30019150987389753
Energy: 0.3420571773562658
Energy: 0.3001915098747523
Energy: 0.34205717735583835
Energy: 0.3001915098747523
Energy: 0.34205717735583835
Energy: 0.3087220698035958
Energy: 0.30063294950360747
Energy: 0.3087220698031684
Energy: 0.30063294950360747
Energy: 0.3087220698035958
Energy: 0.30063294950360747
Energy: 0.2995909638404992
Energy: 0.3153508935278337
Energy: 0.2995909638404992
Energy: 0.31535089352826107
Energy: 0.2995909638404992
Energy: 0.31535089352826107
Energy: 0.32998501501916716
Energy: 0.30780213780822446
Energy: 0.32998501501916716
Energy: 0.30780213780865184
Energy: 0.32998501501959454
Energy: 0.30780213780822446
Energy: 0.3081038291820758
Energy: 0.27679100337591167
Energy: 0.3081038291820758
Energy: 0.27679100337591167
Energy: 0.3081038291816484
Energy: 0.27679100337591167
Energy: 0.2808120848037418
Energy: 0.31693348406619787
Energy: 0.28081208480331443
Energy: 0.31693348406619787
Energy: 0.28081208480331443
Energy: 0.31693348406577054
Energy: 0.3432951280144785
Energy: 0.2900540232633406
Energy: 0.3432951280144785
Energy: 0.2900540232633406
Energy: 0.34329512801405104
Energy: 0.29005402326419544
Energy: 0.31929721891655366
Energy: 0.26800756712696633
Energy: 0.3192972189169811
Energy: 0.2680075671265389
Energy: 0.3192972189169811
Energy: 0.2680075671265389
Energy: 0.2863524250036988
Energy: 0.343426024669273
Energy: 0.2863524250036988
Energy: 0.343426024669273
Energy: 0.2863524250036988
Energy: 0.343426024669273
Energy: 0.3387688284244179
Energy: 0.34139621707013174
Energy: 0.3387688284244179
Energy: 0.3413962170705591
Energy: 0.3387688284244179
Energy: 0.34139621707013174
Energy: 0.30210284634922463
Energy: 0.298586128483052
Energy: 0.30210284634922463
Energy: 0.29858612848347943
Energy: 0.30210284634922463
Energy: 0.29858612848347943
Energy: 0.3071494592414396
Energy: 0.3518695470176042
Energy: 0.3071494592414396
Energy: 0.3518695470176042
Energy: 0.3071494592414396
Energy: 0.3518695470176042
Energy: 0.281582016562779
Energy: 0.3314491774569503
Energy: 0.28158201656235154
Energy: 0.3314491774569503
Energy: 0.28158201656192416
Energy: 0.3314491774569503
Energy: 0.28155537307125417
Energy: 0.27261814438337245
Energy: 0.281555373072109
Energy: 0.27261814438337245
Energy: 0.2815553730695446
Energy: 0.27261814438379983
Energy: 0.3089347263570314
Energy: 0.3719523911347379
Energy: 0.3089347263570314
Energy: 0.3719523911347379
Energy: 0.3089347263570314
Energy: 0.3719523911347379
Energy: 0.2940542596258106
Energy: 0.31541473873933673
Energy: 0.29405425962837495
Energy: 0.31541473873933673
Energy: 0.29405425962837495
Energy: 0.31541473873933673
Energy: 0.29402886778503545
Energy: 0.3235562825735861
Energy: 0.2940288677846081
Energy: 0.3235562825735861
Energy: 0.2940288677837533
Energy: 0.3235562825735861
Energy: 0.3169390077221303
Energy: 0.3342503190822787
Energy: 0.3169390077217029
Energy: 0.33425031908313346
Energy: 0.3169390077217029
Energy: 0.3342503190822787
Energy: 0.29092593376649495
Energy: 0.2731083956812696
Energy: 0.2909259337652128
Energy: 0.2731083956812696
Energy: 0.2909259337686319
Energy: 0.2731083956812696
Energy: 0.3009562602076784
Energy: 0.3370504286301076
Energy: 0.3009562602046867
Energy: 0.3370504286301076
Energy: 0.3009562602085332
Energy: 0.3370504286301076
Energy: 0.2908171339627679
Energy: 0.3159326496004225
Energy: 0.2908171339623405
Energy: 0.3159326496004225
Energy: 0.2908171339631953
Energy: 0.31593264960127726
Energy: 0.3378389376376385
Energy: 0.3052231491161043
Energy: 0.3378389376376385
Energy: 0.3052231491161043
Energy: 0.3378389376376385
Energy: 0.3052231491161043
Energy: 0.308843758683763
Energy: 0.3017182466848037
Energy: 0.30884375868205344
Energy: 0.3017182466848037
Energy: 0.30884375867991654
Energy: 0.3017182466848037
Energy: 0.2765679960578067
Energy: 0.3150290068784283
Energy: 0.27656799605823407
Energy: 0.3150290068784283
Energy: 0.2765679960578067
Energy: 0.3150290068784283
Energy: 0.3659098166360813
Energy: 0.2866688670209174
Energy: 0.3659098166360813
Energy: 0.2866688670209174
Energy: 0.3659098166360813
Energy: 0.2866688670217722
Energy: 0.3582614597845689
Energy: 0.32589054250903354
Energy: 0.3582614597841414
Energy: 0.32589054250903354
Energy: 0.3582614597841414
Energy: 0.32589054250903354
Energy: 0.2766084593566856
Energy: 0.2955482421218539
Energy: 0.2766084593566856
Energy: 0.2955482421222813
Energy: 0.2766084593566856
Energy: 0.2955482421218539
Energy: 0.3424997987196102
Energy: 0.29673548313682707
Energy: 0.3424997987196102
Energy: 0.29673548313682707
Energy: 0.34249979871918285
Energy: 0.29673548313682707

minimum gb energy = 0.2680075671265389 eV
minimum distance =  2.63656993503347 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.400636243439964
Energy: 0.3476870278199615
Energy: 0.400636243439964
Energy: 0.3476870278199615
Energy: 0.400636243439964
Energy: 0.3476870278199615
Energy: 0.3482412494076655
Energy: 0.355175224436659
Energy: 0.3482412494076655
Energy: 0.355175224437268
Energy: 0.3482412494076655
Energy: 0.355175224436659
Energy: 0.3818227699290351
Energy: 0.3565766117401754
Energy: 0.3818227699290351
Energy: 0.3565766117401754
Energy: 0.3818227699296441
Energy: 0.3565766117401754
Energy: 0.381808301237021
Energy: 0.3373455941248479
Energy: 0.3818083012364121
Energy: 0.3373455941248479
Energy: 0.3818083012364121
Energy: 0.3373455941248479
Energy: 0.29944888971691147
Energy: 0.3422720308600071
Energy: 0.29944888971812944
Energy: 0.3422720308600071
Energy: 0.29944888971691147
Energy: 0.3422720308600071
Energy: 0.36785661601485664
Energy: 0.38406588150319454
Energy: 0.36785661601485664
Energy: 0.38406588150319454
Energy: 0.36785661601546565
Energy: 0.38406588150319454
Energy: 0.343939857317577
Energy: 0.32846945104952335
Energy: 0.343939857316968
Energy: 0.32846945104952335
Energy: 0.343939857316968
Energy: 0.32846945104952335
Energy: 0.3334396498157023
Energy: 0.3400768191057753
Energy: 0.33343964981631125
Energy: 0.3400768191057753
Energy: 0.33343964981692026
Energy: 0.3400768191057753
Energy: 0.38373592864969025
Energy: 0.36584402197130733
Energy: 0.38373592865029915
Energy: 0.36584402197191623
Energy: 0.38373592864969025
Energy: 0.36584402197191623
Energy: 0.3470049504815956
Energy: 0.30883817065839475
Energy: 0.3470049504815956
Energy: 0.3088381706602217
Energy: 0.34700495048098656
Energy: 0.30883817065900376
Energy: 0.33534083591988356
Energy: 0.3765231798522726
Energy: 0.3353408359204925
Energy: 0.3765231798522726
Energy: 0.33534083591988356
Energy: 0.3765231798522726
Energy: 0.34760405301771324
Energy: 0.370663555223321
Energy: 0.3476040530171043
Energy: 0.370663555223321
Energy: 0.3476040530183222
Energy: 0.370663555223321
Energy: 0.3493063708635332
Energy: 0.3425101702923774
Energy: 0.3493063708635332
Energy: 0.3425101702923774
Energy: 0.3493063708635332
Energy: 0.3425101702923774
Energy: 0.3372636322123185
Energy: 0.39074059382659415
Energy: 0.3372636322117095
Energy: 0.3907405938259853
Energy: 0.3372636322123185
Energy: 0.39074059382659415
Energy: 0.34950609722376436
Energy: 0.34548689617723
Energy: 0.34950609722315534
Energy: 0.34548689617723
Energy: 0.34950609722315534
Energy: 0.34548689617723
Energy: 0.30550765442328925
Energy: 0.3641158839801646
Energy: 0.3055076544238982
Energy: 0.3641158839801646
Energy: 0.3055076544238982
Energy: 0.3641158839801646
Energy: 0.3453329536611072
Energy: 0.39028351217820134
Energy: 0.3453329536611072
Energy: 0.3902835121775924
Energy: 0.3453329536604982
Energy: 0.3902835121775924
Energy: 0.3561137790904302
Energy: 0.30265372183696543
Energy: 0.3561137790904302
Energy: 0.30265372183757444
Energy: 0.3561137790910392
Energy: 0.3026537218357475
Energy: 0.31241570518284906
Energy: 0.38234117597206985
Energy: 0.31241570518345807
Energy: 0.38234117597206985
Energy: 0.31241570518345807
Energy: 0.38234117597206985
Energy: 0.3467068855819209
Energy: 0.3535413928237094
Energy: 0.3467068855819209
Energy: 0.3535413928231004
Energy: 0.3467068855819209
Energy: 0.3535413928237094
Energy: 0.3869851974384469
Energy: 0.30932098622517823
Energy: 0.3869851974384469
Energy: 0.30932098622517823
Energy: 0.3869851974384469
Energy: 0.30932098622517823
Energy: 0.38965274949647766
Energy: 0.40120977218821413
Energy: 0.38965274949525974
Energy: 0.40120977218821413
Energy: 0.38965274949647766
Energy: 0.4012097721876051
Energy: 0.30280418893457606
Energy: 0.33354631401459717
Energy: 0.30280418893457606
Energy: 0.33354631401459717
Energy: 0.3028041889339671
Energy: 0.33354631401459717

minimum gb energy = 0.29944888971691147 eV
minimum distance =  2.64035196876018 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.4095740871313492
Energy: 0.34529029013291823
Energy: 0.4095740871317356
Energy: 0.34529029013291823
Energy: 0.4095740871313492
Energy: 0.34529029013291823
Energy: 0.35772723447215
Energy: 0.3723535869281294
Energy: 0.35772723447215
Energy: 0.3723535869281294
Energy: 0.35772723447292265
Energy: 0.37235358692774306
Energy: 0.40621469527142634
Energy: 0.3737191159964947
Energy: 0.40621469527142634
Energy: 0.37371911599726737
Energy: 0.40621469527142634
Energy: 0.373719115996881
Energy: 0.3983884294921708
Energy: 0.34164284799870714
Energy: 0.3983884294917845
Energy: 0.34164284799909345
Energy: 0.3983884294917845
Energy: 0.34164284799870714
Energy: 0.33687035921435327
Energy: 0.37096592559307406
Energy: 0.3368703592131943
Energy: 0.3709659255934604
Energy: 0.3368703592135806
Energy: 0.37096592559307406
Energy: 0.39532904526434864
Energy: 0.4236641452991621
Energy: 0.39532904526434864
Energy: 0.41581546993219515
Energy: 0.39532904526434864
Energy: 0.41581546993219515
Energy: 0.3580559263534071
Energy: 0.338858570611232
Energy: 0.3580559263530208
Energy: 0.338858570611232
Energy: 0.35805592635379346
Energy: 0.3388585706108456
Energy: 0.3570289861865721
Energy: 0.39750222452085976
Energy: 0.3570289861869584
Energy: 0.39750222452085976
Energy: 0.3570289861869584
Energy: 0.39750222452085976
Energy: 0.37087139532363206
Energy: 0.3961219762967993
Energy: 0.3708713953240184
Energy: 0.3961219762967993
Energy: 0.3708713953240184
Energy: 0.396121976296413
Energy: 0.41709883198534614
Energy: 0.33662482228024343
Energy: 0.41709883198534614
Energy: 0.34693998364603323
Energy: 0.4170988319849598
Energy: 0.34693998364641954
Energy: 0.3638342986471378
Energy: 0.39817618252900716
Energy: 0.36383429864675143
Energy: 0.39817618252900716
Energy: 0.3638342986471378
Energy: 0.39817618252900716
Energy: 0.3598753816331573
Energy: 0.3644164629207151
Energy: 0.3598753816331573
Energy: 0.3644164629207151
Energy: 0.3598753816331573
Energy: 0.3644164629207151
Energy: 0.4127451797607269
Energy: 0.34650572965952103
Energy: 0.4127451797611132
Energy: 0.3465057296591347
Energy: 0.4127451797611132
Energy: 0.3465057296591347
Energy: 0.3690805580208116
Energy: 0.40051189075208987
Energy: 0.3690805580204253
Energy: 0.40051189075208987
Energy: 0.3690805580211979
Energy: 0.40051189075208987
Energy: 0.3726910993620467
Energy: 0.37079844153108066
Energy: 0.3726910993620467
Energy: 0.37079844153069436
Energy: 0.372691099362433
Energy: 0.37079844153108066
Energy: 0.39835842815766026
Energy: 0.36621765026457503
Energy: 0.39835842815727396
Energy: 0.36621765026457503
Energy: 0.39835842815766026
Energy: 0.36621765026457503
Energy: 0.32859071881130497
Energy: 0.4109576297023043
Energy: 0.32859071880975965
Energy: 0.4109576297026906
Energy: 0.32859071881014595
Energy: 0.4109576297026906
Energy: 0.4018825217251689
Energy: 0.39649926364422
Energy: 0.4018825217251689
Energy: 0.39649926364460636
Energy: 0.4018825217251689
Energy: 0.39649926364460636
Energy: 0.3585820230014023
Energy: 0.36397002353719254
Energy: 0.3585820230017886
Energy: 0.3639700235375789
Energy: 0.35858202300217495
Energy: 0.36397002353719254
Energy: 0.357409750007164
Energy: 0.37064604950241314
Energy: 0.357409750007164
Energy: 0.37064604950241314
Energy: 0.3574097500067776
Energy: 0.37064604950241314
Energy: 0.4001366268069574
Energy: 0.391661562479496
Energy: 0.4001366268069574
Energy: 0.391661562479496
Energy: 0.4001366268069574
Energy: 0.391661562479496
Energy: 0.37377790040594855
Energy: 0.31473207320863833
Energy: 0.37377790040556225
Energy: 0.31473207320863833
Energy: 0.37377790040556225
Energy: 0.31473207320902463
Energy: 0.3628398967931911
Energy: 0.3983144310697751
Energy: 0.3628398967935775
Energy: 0.3983144310697751
Energy: 0.3628398967935775
Energy: 0.3983144310697751
Energy: 0.41751852888627694
Energy: 0.3678439549865706
Energy: 0.41751852888627694
Energy: 0.3678439549865706
Energy: 0.4175185288858906
Energy: 0.3678439549865706
Energy: 0.3574611134403786
Energy: 0.36328359129892274
Energy: 0.35746111343999226
Energy: 0.36328359129892274
Energy: 0.3574611134403786
Energy: 0.3632835912993091
Energy: 0.3634457899062093
Energy: 0.3985121569528276
Energy: 0.3634457899054367
Energy: 0.3985121569532139
Energy: 0.3634457899054367
Energy: 0.3985121569532139
Energy: 0.3578299992277569
Energy: 0.314640881034621
Energy: 0.35782999922852954
Energy: 0.3146408810342347
Energy: 0.35782999922814324
Energy: 0.3146408810342347
Energy: 0.3954999835658596
Energy: 0.3973930447783993
Energy: 0.3954999835666322
Energy: 0.3973930447783993
Energy: 0.3954999835666322
Energy: 0.3973930447783993
Energy: 0.35968190241207076
Energy: 0.3713846773602581
Energy: 0.35968190241168446
Energy: 0.3713846773598718
Energy: 0.35968190241207076
Energy: 0.3713846773602581
Energy: 0.3581746208046946
Energy: 0.33790587669176014
Energy: 0.35817462080546725
Energy: 0.33790587669214645
Energy: 0.35817462080508095
Energy: 0.33790587669176014
Energy: 0.3956935931596508
Energy: 0.41158465697137503
Energy: 0.39569359315928204
Energy: 0.41158465697137503
Energy: 0.3956935931596508
Energy: 0.41158465697137503
Energy: 0.3362439643989841
Energy: 0.370860161067684
Energy: 0.3362439643989841
Energy: 0.370860161067684
Energy: 0.3362439643989841
Energy: 0.37086016106729763
Energy: 0.39552453293318773
Energy: 0.3657312450883388
Energy: 0.39552453293318773
Energy: 0.3657312450887252
Energy: 0.39552453293318773
Energy: 0.3657312450887252
Energy: 0.3731576555137251
Energy: 0.3724195026574497
Energy: 0.37315765551295244
Energy: 0.3724195026574497
Energy: 0.3731576555137251
Energy: 0.3724195026574497
Energy: 0.36809048553650353
Energy: 0.40246366079127927
Energy: 0.3680904855368899
Energy: 0.40246366079127927
Energy: 0.3680904855368899
Energy: 0.40246366079127927
Energy: 0.41035736015729557
Energy: 0.34629320306226224
Energy: 0.41035736015729557
Energy: 0.34629320306226224
Energy: 0.4103573601576819
Energy: 0.34629320306226224
Energy: 0.3586100065162448
Energy: 0.3668499161686719
Energy: 0.35861000651585845
Energy: 0.3668499161686719
Energy: 0.3586100065162448
Energy: 0.3668499161682856

minimum gb energy = 0.3146408810342347 eV
minimum distance =  2.62021810672565 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.4167109293913345
Energy: 0.3908440548017747
Energy: 0.41671092939238924
Energy: 0.3908440548017747
Energy: 0.41671092939238924
Energy: 0.3908440548017747
Energy: 0.3935992513427244
Energy: 0.4007329919954348
Energy: 0.3935992513427244
Energy: 0.4007329919954348
Energy: 0.3935992513427244
Energy: 0.4007329919954348
Energy: 0.5046577432161322
Energy: 0.4164089846843131
Energy: 0.4551839406329321
Energy: 0.41640898468536786
Energy: 0.4551839406329321
Energy: 0.41640898468536786
Energy: 0.4270563458636311
Energy: 0.4116144809311776
Energy: 0.4270563458636311
Energy: 0.4116144809322324
Energy: 0.4270563458636311
Energy: 0.4116144809311776
Energy: 0.37118671202319403
Energy: 0.40061463048180557
Energy: 0.37118671202319403
Energy: 0.40061463048180557
Energy: 0.37118671202319403
Energy: 0.40061463048180557
Energy: 0.43432202521819874
Energy: 0.40881458237302043
Energy: 0.43432202521819874
Energy: 0.40881458237196566
Energy: 0.43432202521819874
Energy: 0.40881458237302043
Energy: 0.4098294136514439
Energy: 0.37547203908415333
Energy: 0.4098294136514439
Energy: 0.37547203908415333
Energy: 0.4098294136514439
Energy: 0.37547203908415333
Energy: 0.40541269940654273
Energy: 0.4058786103135058
Energy: 0.40541269940654273
Energy: 0.4058786103135058
Energy: 0.40541269940654273
Energy: 0.4058786103135058
Energy: 0.3944795499251797
Energy: 0.37796513403632526
Energy: 0.3944795499251797
Energy: 0.37796513403632526
Energy: 0.3944795499251797
Energy: 0.37796513403632526
Energy: 0.41247920673145805
Energy: 0.3921530483799996
Energy: 0.41247920673145805
Energy: 0.3921530483789448
Energy: 0.41247920673145805
Energy: 0.3921530483799996
Energy: 0.39549057079129196
Energy: 0.4160744952235276
Energy: 0.3954905707923468
Energy: 0.41607449522458234
Energy: 0.39549057079129196
Energy: 0.4160744952235276
Energy: 0.4142226589397035
Energy: 0.4002074169016875
Energy: 0.4142226589407583
Energy: 0.4002074169016875
Energy: 0.4142226589397035
Energy: 0.4002074169016875
Energy: 0.4452646326131596
Energy: 0.4145988257378748
Energy: 0.4452646326131596
Energy: 0.4145988257378748
Energy: 0.44526463261421445
Energy: 0.4145988257378748
Energy: 0.37241645011462465
Energy: 0.39945209624895467
Energy: 0.37241645011462465
Energy: 0.39945209624895467
Energy: 0.3724164501135699
Energy: 0.39945209625000944

minimum gb energy = 0.37118671202319403 eV
minimum distance =  2.61962761695285 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.4453258509724601
Energy: 0.4363317111992007
Energy: 0.4453258509724601
Energy: 0.43633171119966413
Energy: 0.4453258509719967
Energy: 0.43633171119966413
Energy: 0.3934492290790651
Energy: 0.43238262905761354
Energy: 0.3934492290786017
Energy: 0.43238262905761354
Energy: 0.3934492290786017
Energy: 0.43238262905761354
Energy: 0.42800124725353
Energy: 0.4223044356501092
Energy: 0.42800124725306665
Energy: 0.42230443564964587
Energy: 0.42800124725353
Energy: 0.4223044356501092
Energy: 0.42646293361733717
Energy: 0.3948358270705576
Energy: 0.4264629336168738
Energy: 0.3948358270705576
Energy: 0.42646293361733717
Energy: 0.3948358270705576
Energy: 0.4292609064883951
Energy: 0.4308798821882218
Energy: 0.42926090648793175
Energy: 0.4308798821882218
Energy: 0.4292609064883951
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Energy: 0.41463647063747966
Energy: 0.44481780748319527
Energy: 0.41463647063794307
Energy: 0.4448178074836587
Energy: 0.41463647063747966
Energy: 0.4448178074836587
Energy: 0.4300779420422329
Energy: 0.4214396678624284
Energy: 0.4300779420426962
Energy: 0.4214396678624284
Energy: 0.4300779420426962
Energy: 0.4214396678624284
Energy: 0.41484745896109726
Energy: 0.418246936174028
Energy: 0.41484745896109726
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Energy: 0.41484745896109726
Energy: 0.418246936174028
Energy: 0.4188796776250641
Energy: 0.41935027554848125
Energy: 0.4188796776250641
Energy: 0.41935027554848125
Energy: 0.4188796776250641
Energy: 0.41935027554848125
Energy: 0.425228790190967
Energy: 0.4244834883709878
Energy: 0.42522879019143034
Energy: 0.4244834883714512
Energy: 0.425228790190967
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Energy: 0.4010703640219959
Energy: 0.4303083588712754
Energy: 0.40107036402245927
Energy: 0.43030835887173874
Energy: 0.4010703640219959
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Energy: 0.41191025128323316
Energy: 0.4261540610724481
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Energy: 0.41191025128276976
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Energy: 0.40863765552104847
Energy: 0.4176219549990364
Energy: 0.41019809678980546
Energy: 0.4176219549990364
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Energy: 0.4176219549990364
Energy: 0.4309115564905932
Energy: 0.4119799549116614
Energy: 0.43091155649105656
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Energy: 0.4119799549121247
Energy: 0.39471374748737037
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Energy: 0.4268057418756212
Energy: 0.43661246637849166
Energy: 0.4338611420390808
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Energy: 0.4338611420390808
Energy: 0.43661246637849166
Energy: 0.4338611420390808
Energy: 0.4204360457774202
Energy: 0.3904335109529187
Energy: 0.4204360457774202
Energy: 0.3904335109524554
Energy: 0.4204360457778836
Energy: 0.3904335109524554
Energy: 0.4112332112949585
Energy: 0.42776636913138955
Energy: 0.4112332112949585
Energy: 0.42776636913138955
Energy: 0.41123321129449514
Energy: 0.42776636913138955
Energy: 0.3963643341701136
Energy: 0.4045167953864337
Energy: 0.3963643341701136
Energy: 0.4045167953864337
Energy: 0.3963643341696502
Energy: 0.4045167953859703
Energy: 0.4358930955472129
Energy: 0.4363347251441659
Energy: 0.4358930955467495
Energy: 0.43633472514462923
Energy: 0.4358930955472129
Energy: 0.4363347251441659
Energy: 0.4255999277232409
Energy: 0.42237449721457343
Energy: 0.4255999277232409
Energy: 0.42237449721457343
Energy: 0.4255999277232409
Energy: 0.42237449721457343
Energy: 0.43424451296816613
Energy: 0.43238148009854893
Energy: 0.43424451296816613
Energy: 0.43238148009854893
Energy: 0.43424451296816613
Energy: 0.4323814800980855
Energy: 0.42565910243556593
Energy: 0.4121683056039778
Energy: 0.42565910243556593
Energy: 0.4121683056039778
Energy: 0.42565910243556593
Energy: 0.4121683056039778
Energy: 0.40486104606946977
Energy: 0.4276127127936883
Energy: 0.40486104606946977
Energy: 0.4276127127936883
Energy: 0.40486104606946977
Energy: 0.42761271279415164
Energy: 0.4153594140033708
Energy: 0.42920930368008053
Energy: 0.4153594140038341
Energy: 0.42920930368008053
Energy: 0.4153594140033708
Energy: 0.4292093036796171
Energy: 0.4400401184429824
Energy: 0.4059490866247035
Energy: 0.4400401184429824
Energy: 0.4059490866247035
Energy: 0.4400401184429824
Energy: 0.4059490866247035
Energy: 0.4121012800669441
Energy: 0.42499237143069823
Energy: 0.4121012800674074
Energy: 0.42499237143069823
Energy: 0.41210128006787083
Energy: 0.42499237143069823
Energy: 0.41374482899074955
Energy: 0.4001218145044139
Energy: 0.4137448289912129
Energy: 0.4001218145044139
Energy: 0.4137448289912129
Energy: 0.4001218145044139
Energy: 0.4270165434093646
Energy: 0.4398105488181995
Energy: 0.4270165434093646
Energy: 0.4398105488181995
Energy: 0.42701654340982803
Energy: 0.4398105488181995

minimum gb energy = 0.3904335109524554 eV
minimum distance =  2.59135348165827 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.39969037687292
Energy: 0.43889770989690785
Energy: 0.39969037687292
Energy: 0.43889770989690785
Energy: 0.39969037687292
Energy: 0.438897709898557
Energy: 0.40775699419614925
Energy: 0.3960958570904698
Energy: 0.40775699419614925
Energy: 0.3960958570904698
Energy: 0.40775699419614925
Energy: 0.3960958570904698
Energy: 0.37023343236201717
Energy: 0.39095686393491713
Energy: 0.3702334323611926
Energy: 0.37889809612568826
Energy: 0.3702334323611926
Energy: 0.37889809612403913
Energy: 0.4077585164119172
Energy: 0.39610260611486536
Energy: 0.4077585164119172
Energy: 0.39610260611568987
Energy: 0.4077585164119172
Energy: 0.39610260611568987
Energy: 0.39964520952117594
Energy: 0.3760415755213884
Energy: 0.39964520952117594
Energy: 0.3760415755213884
Energy: 0.39964520952117594
Energy: 0.3760415755213884
Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.37560558248903064
Energy: 0.3629225342680645
Energy: 0.39969037687374454
Energy: 0.43889770989690785
Energy: 0.39969037687374454
Energy: 0.43889770989690785
Energy: 0.39969037687374454
Energy: 0.438897709898557
Energy: 0.40775699419614925
Energy: 0.3960958570921189
Energy: 0.4077569941953247
Energy: 0.3960958570921189
Energy: 0.40775699419614925
Energy: 0.3960958570921189
Energy: 0.37023343236284173
Energy: 0.36074759472262435
Energy: 0.37023343236284173
Energy: 0.3607475947185016
Energy: 0.37023343236284173
Energy: 0.3607475947209753
Energy: 0.4077585164135664
Energy: 0.39610260611404075
Energy: 0.4077585164135664
Energy: 0.39610260611404075
Energy: 0.4077585164135664
Energy: 0.39610260611404075
Energy: 0.39964520951870236
Energy: 0.37604157552221296
Energy: 0.39964520951870236
Energy: 0.37604157552221296
Energy: 0.39964520951952687
Energy: 0.37604157552221296
Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.37560558248903064
Energy: 0.3629225342680645
Energy: 0.37560558248985526
Energy: 0.3629225342680645
Energy: 0.39969037687292
Energy: 0.4388977098944341
Energy: 0.39969037687292
Energy: 0.4388977098944341
Energy: 0.39969037687292
Energy: 0.43889770989690785
Energy: 0.40775699419614925
Energy: 0.3960958570904698
Energy: 0.40775699419614925
Energy: 0.3960958570904698
Energy: 0.40775699419614925
Energy: 0.3960958570904698
Energy: 0.37023343236201717
Energy: 0.36074759473002677
Energy: 0.37023343236201717
Energy: 0.36074759472920215
Energy: 0.3702334323611926
Energy: 0.36074759473167584
Energy: 0.4077585164119172
Energy: 0.39610260611568987
Energy: 0.4077585164119172
Energy: 0.39610260611486536
Energy: 0.4077585164119172
Energy: 0.39610260611568987

minimum gb energy = 0.3607475947185016 eV
minimum distance =  2.64450348921019 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.4218975776663158
Energy: 0.4272763500993
Energy: 0.4218975776663158
Energy: 0.42727635009997333
Energy: 0.4218975776663158
Energy: 0.42727635009997333
Energy: 0.3992122293677739
Energy: 0.42988505934657417
Energy: 0.3992122293677739
Energy: 0.42988505934590093
Energy: 0.3992122293677739
Energy: 0.42988505934657417
Energy: 0.41659557705911465
Energy: 0.4059729311537787
Energy: 0.40221531490475426
Energy: 0.4059729311537787
Energy: 0.41659557705911465
Energy: 0.4059729311537787
Energy: 0.41688765866999317
Energy: 0.44292739050159213
Energy: 0.41688765866999317
Energy: 0.44292739050091895
Energy: 0.4168876586693199
Energy: 0.44292739050159213
Energy: 0.4043005708717489
Energy: 0.40517491779030407
Energy: 0.4043005708717489
Energy: 0.40517491779030407
Energy: 0.4043005708717489
Energy: 0.40517491779030407
Energy: 0.394299231311347
Energy: 0.40760472403558795
Energy: 0.3942992313046145
Energy: 0.4076047240349147
Energy: 0.39429923131404
Energy: 0.40760472403558795
Energy: 0.40404179782043725
Energy: 0.39816843619197234
Energy: 0.40404179782043725
Energy: 0.39816843619129916
Energy: 0.40404179782043725
Energy: 0.39816843619197234
Energy: 0.396780087350167
Energy: 0.40997047189623387
Energy: 0.3967800873488205
Energy: 0.40997047189623387
Energy: 0.3967800873488205
Energy: 0.40997047189623387
Energy: 0.42301916144374335
Energy: 0.40194640348807326
Energy: 0.42301916144374335
Energy: 0.40194640348807326
Energy: 0.42301916144374335
Energy: 0.40194640348807326
Energy: 0.40723532963600834
Energy: 0.3924531137111961
Energy: 0.40723532963600834
Energy: 0.3924531137111961
Energy: 0.40723532963600834
Energy: 0.3924531137111961
Energy: 0.4086234108274333
Energy: 0.3917297279772664
Energy: 0.40862341082810655
Energy: 0.3917297279779396
Energy: 0.43138349707842594
Energy: 0.3917297279779396
Energy: 0.41505014994975814
Energy: 0.41152173492391
Energy: 0.4150501499504313
Energy: 0.41152173492391
Energy: 0.4150501499504313
Energy: 0.4115217349245832
Energy: 0.4073907506442138
Energy: 0.4326205496672615
Energy: 0.4073907506442138
Energy: 0.43262054966793473
Energy: 0.4073907506442138
Energy: 0.43262054966793473
Energy: 0.40400448809451944
Energy: 0.3909371736921562
Energy: 0.40400448809384615
Energy: 0.3909371736921562
Energy: 0.40400448809451944
Energy: 0.3909371736921562
Energy: 0.42284392356672434
Energy: 0.4092821699556533
Energy: 0.4228439235673976
Energy: 0.4092821699556533
Energy: 0.42284392356672434
Energy: 0.4092821699556533
Energy: 0.4255541943788951
Energy: 0.41699335886848987
Energy: 0.4255541943788951
Energy: 0.41699335886916317
Energy: 0.4255541943788951
Energy: 0.41699335886916317
Energy: 0.41168001800908866
Energy: 0.41505668321903616
Energy: 0.41168001800908866
Energy: 0.41505668321903616
Energy: 0.41168001800908866
Energy: 0.41505668321903616
Energy: 0.4361628016756597
Energy: 0.41138894833746553
Energy: 0.4361628016756597
Energy: 0.4113889483381388
Energy: 0.43616280167498644
Energy: 0.41138894833746553
Energy: 0.3971320865721459
Energy: 0.3933145088636056
Energy: 0.39713208657281907
Energy: 0.3933145088636056
Energy: 0.39713208657349236
Energy: 0.3933145088636056
Energy: 0.41820775777018937
Energy: 0.40613191563439693
Energy: 0.41820775777086266
Energy: 0.4061319156458422
Energy: 0.41820775777086266
Energy: 0.40613191563574347
Energy: 0.4171630599570868
Energy: 0.41169801200366296
Energy: 0.4171630599570868
Energy: 0.41169801200366296
Energy: 0.41716305995776
Energy: 0.41169801200366296

minimum gb energy = 0.3909371736921562 eV
minimum distance =  2.59204522525397 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.43947631929337005
Energy: 0.4163339253953172
Energy: 0.42570139743369917
Energy: 0.41633392539701974
Energy: 0.43947631929337005
Energy: 0.41633392539645225
Energy: 0.40724466056256275
Energy: 0.38169753478822643
Energy: 0.40724466056483266
Energy: 0.38169753478822643
Energy: 0.40724466056313025
Energy: 0.3816975347899289
Energy: 0.3506714595982523
Energy: 0.4102080994999959
Energy: 0.35067145959768486
Energy: 0.4102080994999959
Energy: 0.35067145959768486
Energy: 0.41020809949886106
Energy: 0.36367701425854165
Energy: 0.3995762313458548
Energy: 0.36367701425910914
Energy: 0.39957623134642234
Energy: 0.36367701425854165
Energy: 0.3995762313458548
Energy: 0.36352778783941225
Energy: 0.40597685778613246
Energy: 0.3635277878405473
Energy: 0.40597685778613246
Energy: 0.36352778783941225
Energy: 0.40597685778386244
Energy: 0.4166839711661976
Energy: 0.4299872376847312
Energy: 0.4166839711667651
Energy: 0.4299872376847312
Energy: 0.4166839711661976
Energy: 0.4299872376835962
Energy: 0.3859429036195869
Energy: 0.4072591526693145
Energy: 0.3859429036207219
Energy: 0.4072591526693145
Energy: 0.3859429036201544
Energy: 0.407259152668747
Energy: 0.4155906988846191
Energy: 0.35046516679243894
Energy: 0.41559069888518657
Energy: 0.35046516679243894
Energy: 0.4155906988846191
Energy: 0.35046516679243894
Energy: 0.4324592385025649
Energy: 0.36417260691443964
Energy: 0.43242085950399434
Energy: 0.36417260691443964
Energy: 0.4324592385019974
Energy: 0.3641726069167097
Energy: 0.40856789637264174
Energy: 0.40798627475329324
Energy: 0.4085800013396087
Energy: 0.4079862747538608
Energy: 0.40856789637264174
Energy: 0.40798627475159077
Energy: 0.4204917999232508
Energy: 0.3949840299783687
Energy: 0.4206355558737244
Energy: 0.3949840299783687
Energy: 0.4204917999232508
Energy: 0.39498402998007115
Energy: 0.40643711367541513
Energy: 0.3781658784127444
Energy: 0.4064371136771177
Energy: 0.37816587841217686
Energy: 0.40643711367541513
Energy: 0.3781658784127444
Energy: 0.35092457270102195
Energy: 0.38657755130113786
Energy: 0.3509245726998869
Energy: 0.38657755130170535
Energy: 0.35092457270102195
Energy: 0.3865775513005703
Energy: 0.3643043863652072
Energy: 0.37918771673874974
Energy: 0.3643043863680447
Energy: 0.37918771673818225
Energy: 0.3643043863652072
Energy: 0.3791877167364798
Energy: 0.4463972370588517
Energy: 0.4086162584142708
Energy: 0.4492477677924865
Energy: 0.40861625841370325
Energy: 0.4463972370594192
Energy: 0.4086162584148383
Energy: 0.36300151767995686
Energy: 0.40573042983902086
Energy: 0.36300151767882194
Energy: 0.4057304298395884
Energy: 0.36300151767995686
Energy: 0.40573042984129093
Energy: 0.375181990625332
Energy: 0.3507471436595356
Energy: 0.37518199062703456
Energy: 0.3507471436595356
Energy: 0.375181990625332
Energy: 0.35074714366010307
Energy: 0.4008659260758578
Energy: 0.39466893235423767
Energy: 0.4008659260758578
Energy: 0.39466893235423767
Energy: 0.4008659260758578
Energy: 0.39466893235367023
Energy: 0.37380607178691483
Energy: 0.36365606129953126
Energy: 0.3406157592228533
Energy: 0.36365606129896383
Energy: 0.3738060717863473
Energy: 0.36365606129953126
Energy: 0.43947631929564007
Energy: 0.4163339253975873
Energy: 0.42570139743029417
Energy: 0.4163339253987222
Energy: 0.43947631929564007
Energy: 0.4163339253958847
Energy: 0.40724466056653524
Energy: 0.3816975347899289
Energy: 0.4072446605676702
Energy: 0.38169753478936147
Energy: 0.40724466056653524
Energy: 0.381697534792199
Energy: 0.3506714595999548
Energy: 0.4102080994999959
Energy: 0.35067145959881985
Energy: 0.4102080994999959
Energy: 0.3506714595999548
Energy: 0.41020809949886106
Energy: 0.36367701425854165
Energy: 0.39957623134301723
Energy: 0.36367701425910914
Energy: 0.3995762313435847
Energy: 0.36367701425854165
Energy: 0.39957623134301723
Energy: 0.36352778783997974
Energy: 0.4059768577872675
Energy: 0.3635277878411148
Energy: 0.4059768577872675
Energy: 0.36352778783997974
Energy: 0.4059768577849974
Energy: 0.41668397116563005
Energy: 0.42998723768643365
Energy: 0.4166839711667651
Energy: 0.42998723768643365
Energy: 0.41668397116563005
Energy: 0.4299872376852987

minimum gb energy = 0.3406157592228533 eV
minimum distance =  2.5842195682284 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.39648023080572875
Energy: 0.4586245303041066
Energy: 0.39648023080572875
Energy: 0.4586245303041066
Energy: 0.39648023080572875
Energy: 0.4586245303041066
Energy: 0.40226285726613253
Energy: 0.39345120245598597
Energy: 0.40226285726564265
Energy: 0.39345120245647586
Energy: 0.40226285726564265
Energy: 0.39345120245598597
Energy: 0.40304320310895575
Energy: 0.3761926985364304
Energy: 0.40304320310895575
Energy: 0.3761926985364304
Energy: 0.4030432031094456
Energy: 0.3761926985364304
Energy: 0.3828305798062315
Energy: 0.4116792193147329
Energy: 0.3828305798062315
Energy: 0.4116792193147329
Energy: 0.3828305798062315
Energy: 0.4116792193147329
Energy: 0.38204604732950576
Energy: 0.3974609289054044
Energy: 0.38204604732901587
Energy: 0.3974609289054044
Energy: 0.38204604732901587
Energy: 0.3974609289054044
Energy: 0.4050768412192967
Energy: 0.38441753327588235
Energy: 0.4050768412188068
Energy: 0.38441753327588235
Energy: 0.4050768412188068
Energy: 0.38441753327588235
Energy: 0.3786804785189626
Energy: 0.4059190857661017
Energy: 0.3786804785184727
Energy: 0.4059190857661017
Energy: 0.3786804785189626
Energy: 0.40591908576463204
Energy: 0.3998337309046038
Energy: 0.4103247865747405
Energy: 0.3998337309046038
Energy: 0.4103247865752304
Energy: 0.3998337309046038
Energy: 0.4103247865752304
Energy: 0.41395806026457094
Energy: 0.375448802455947
Energy: 0.41395806026457094
Energy: 0.37544880245547935
Energy: 0.41395806026457094
Energy: 0.37544880245547935
Energy: 0.3966784134386186
Energy: 0.39350784490749974
Energy: 0.3966784134386186
Energy: 0.39350784490749974
Energy: 0.3966784134386186
Energy: 0.39350784490749974
Energy: 0.3776426454776786
Energy: 0.44855821628410164
Energy: 0.3776426454776786
Energy: 0.44855821628410164
Energy: 0.37764264547865833
Energy: 0.44855821628459147
Energy: 0.4012697202049781
Energy: 0.3756665694796381
Energy: 0.40126972020448826
Energy: 0.3756665694796381
Energy: 0.40126972020448826
Energy: 0.3756665694796381
Energy: 0.40007603120855734
Energy: 0.3925471403499311
Energy: 0.40007603120855734
Energy: 0.3925471403499311
Energy: 0.40007603120855734
Energy: 0.3925471403499311
Energy: 0.38210718507600233
Energy: 0.4047903805906031
Energy: 0.38210718507600233
Energy: 0.4047903805906031
Energy: 0.3821071850755125
Energy: 0.40479038059109307
Energy: 0.39620719785124553
Energy: 0.37291766510217134
Energy: 0.3962071978507557
Energy: 0.37291766510217134
Energy: 0.39620719785124553
Energy: 0.37291766510217134
Energy: 0.4234834033158484
Energy: 0.37552196724281334
Energy: 0.42348340331535855
Energy: 0.37552196724281334
Energy: 0.4234834033158484
Energy: 0.3755219672433032
Energy: 0.38241858155883535
Energy: 0.4112182734433852
Energy: 0.38241858155883535
Energy: 0.4112182734433852
Energy: 0.38241858155883535
Energy: 0.4112182734433852
Energy: 0.4181460365038202
Energy: 0.40787470409331744
Energy: 0.4181460365038202
Energy: 0.40787470409380727
Energy: 0.4181460365038202
Energy: 0.40787470409331744
Energy: 0.3837400288974795
Energy: 0.3837202957940451
Energy: 0.3837400288974795
Energy: 0.3837202957940451
Energy: 0.3837400288974795
Energy: 0.3837202957940451
Energy: 0.3843010802108435
Energy: 0.40441579178854853
Energy: 0.3843010802108435
Energy: 0.40441579178854853
Energy: 0.3843010802108435
Energy: 0.40441579178854853
Energy: 0.37493711689544734
Energy: 0.42056396415983055
Energy: 0.37493711689544734
Energy: 0.42056396415983055
Energy: 0.37493711689544734
Energy: 0.4205639641603205
Energy: 0.43587261454580084
Energy: 0.37635215427170304
Energy: 0.43587261454580084
Energy: 0.37635215427170304
Energy: 0.43587261454580084
Energy: 0.37635215427170304
Energy: 0.4103797436643158
Energy: 0.3919528348808346
Energy: 0.4103797436643158
Energy: 0.3919528348808346
Energy: 0.4103797436643158
Energy: 0.3919528348808346
Energy: 0.399303507403074
Energy: 0.3890958875275988
Energy: 0.3993035074035639
Energy: 0.3890958875275988
Energy: 0.399303507403074
Energy: 0.3890958875275988
Energy: 0.3911979639348844
Energy: 0.37849912607160247
Energy: 0.39119796393439443
Energy: 0.37849912607160247
Energy: 0.39119796393439443
Energy: 0.37849912607160247
Energy: 0.4025285065297072
Energy: 0.38177191379465847
Energy: 0.4025285065297072
Energy: 0.38177191379465847
Energy: 0.40252850653019706
Energy: 0.38177191379465847
Energy: 0.37706524169869526
Energy: 0.39822901066846056
Energy: 0.3770652416991851
Energy: 0.39822901066846056
Energy: 0.3770652416991851
Energy: 0.39822901066846056
Energy: 0.3925907379212867
Energy: 0.38280043263212626
Energy: 0.39259073792079685
Energy: 0.38280043263212626
Energy: 0.3925907379212867
Energy: 0.38280043263212626
Energy: 0.38942152283091663
Energy: 0.38272989469938345
Energy: 0.38942152283091663
Energy: 0.3827298946998733
Energy: 0.38942152283091663
Energy: 0.3827298946998733

minimum gb energy = 0.37291766510217134 eV
minimum distance =  2.59519664737138 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.38091848149661256
Energy: 0.42378297935939097
Energy: 0.38091848149661256
Energy: 0.42378297935939097
Energy: 0.3809184814970432
Energy: 0.42378297935939097
Energy: 0.38567998083467014
Energy: 0.3716888955843249
Energy: 0.3856799808351008
Energy: 0.3716888955847555
Energy: 0.38567998083467014
Energy: 0.3716888955847555
Energy: 0.4094568736045227
Energy: 0.3634172156827856
Energy: 0.40945687360409205
Energy: 0.3634172156827856
Energy: 0.4094568736045227
Energy: 0.3634172156827856
Energy: 0.36139366204568585
Energy: 0.48705187130963573
Energy: 0.36139366204568585
Energy: 0.4497690269548565
Energy: 0.36139366204525525
Energy: 0.4497690269557177
Energy: 0.37208917058484753
Energy: 0.3976753224969036
Energy: 0.37208917058484753
Energy: 0.3976753224969036
Energy: 0.3720891705852782
Energy: 0.3976753224969036
Energy: 0.41866595648167754
Energy: 0.36280386982579615
Energy: 0.41866595648124694
Energy: 0.36280386982579615
Energy: 0.41866595648167754
Energy: 0.36280386982579615
Energy: 0.37156183081129407
Energy: 0.38439123281315346
Energy: 0.37156183081129407
Energy: 0.3843912328122922
Energy: 0.37156183081129407
Energy: 0.38439123281143095
Energy: 0.36231665207066854
Energy: 0.4238229392286563
Energy: 0.36231665207023794
Energy: 0.3887487483172943
Energy: 0.36231665207066854
Energy: 0.3887487483155719
Energy: 0.4199871389819751
Energy: 0.3633061506139759
Energy: 0.4199871389824057
Energy: 0.3633061506139759
Energy: 0.4199871389819751
Energy: 0.3633061506139759
Energy: 0.3717289331398399
Energy: 0.38414054231011113
Energy: 0.37172893313940925
Energy: 0.4059508483973813
Energy: 0.37172893313940925
Energy: 0.40595084839781187
Energy: 0.3605569531826574
Energy: 0.4388411808289762
Energy: 0.36055695318308806
Energy: 0.4388411808289762
Energy: 0.36055695318308806
Energy: 0.4388411808294069
Energy: 0.39515436423617795
Energy: 0.36835840193262437
Energy: 0.3951543642357473
Energy: 0.36835840193262437
Energy: 0.3951543642357473
Energy: 0.36835840193262437
Energy: 0.4029285494247694
Energy: 0.36359648663375177
Energy: 0.4029285494247694
Energy: 0.36359648663375177
Energy: 0.4029285494243388
Energy: 0.3635964866341823
Energy: 0.3835451797277149
Energy: 0.4275696538622039
Energy: 0.3835451797277149
Energy: 0.40445728866523006
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Energy: 0.40445728866566066
Energy: 0.3866389795658176
Energy: 0.37312274359872627
Energy: 0.38663897956538706
Energy: 0.37312274359915687
Energy: 0.3866389795658176
Energy: 0.37312274359915687
Energy: 0.40804414810749146
Energy: 0.3624472496006611
Energy: 0.40804414810706086
Energy: 0.3624472496006611
Energy: 0.40804414810749146
Energy: 0.36244724960109176
Energy: 0.3592591841527639
Energy: 0.39419681953580393
Energy: 0.35925918415190267
Energy: 0.3941968195349427
Energy: 0.35925918415233327
Energy: 0.3941968195349427
Energy: 0.35874934858347524
Energy: 0.39909009078413654
Energy: 0.35874934858347524
Energy: 0.39909009078370594
Energy: 0.3587493485839058
Energy: 0.39909009078370594
Energy: 0.41867423456746883
Energy: 0.36330542979756114
Energy: 0.4186742345678995
Energy: 0.36330542979756114
Energy: 0.41867423456746883
Energy: 0.3633054297979918
Energy: 0.3686191989831408
Energy: 0.37297321995664784
Energy: 0.3686191989831408
Energy: 0.3729732199570785
Energy: 0.3686191989831408
Energy: 0.3729732199575091
Energy: 0.36056367763901187
Energy: 0.4470623323298848
Energy: 0.36056367763901187
Energy: 0.44706233232945425
Energy: 0.3605636776394425
Energy: 0.4470623323298848
Energy: 0.3937668415965553
Energy: 0.3608376304747797
Energy: 0.39376684159612463
Energy: 0.3608376304747797
Energy: 0.39376684159483283
Energy: 0.3608376304747797
Energy: 0.3962001086000879
Energy: 0.36039808768764564
Energy: 0.3962001086000879
Energy: 0.36039808768721504
Energy: 0.39620010859965726
Energy: 0.36039808768721504
Energy: 0.3617205329204674
Energy: 0.41314611129836143
Energy: 0.36172053292089806
Energy: 0.41314611129836143
Energy: 0.36172053292089806
Energy: 0.41314611129836143
Energy: 0.39603580655067233
Energy: 0.37725815786219197
Energy: 0.39603580655024173
Energy: 0.3772581578613307
Energy: 0.396035806551103
Energy: 0.3772581578617613
Energy: 0.4021308250655681
Energy: 0.3623679974876926
Energy: 0.4021308250655681
Energy: 0.3623679974876926
Energy: 0.4021308250651374
Energy: 0.3623679974876926
Energy: 0.38115524346903246
Energy: 0.39251761346456693
Energy: 0.3811552434694631
Energy: 0.3925176134649976
Energy: 0.3811552434694631
Energy: 0.3925176134649976
Energy: 0.3817316092100254
Energy: 0.4045893197533425
Energy: 0.381731609210456
Energy: 0.4045893197533425
Energy: 0.3817316092100254
Energy: 0.40458931975377316
Energy: 0.4130747383220162
Energy: 0.3673843642209347
Energy: 0.41307473832287744
Energy: 0.3673843642209347
Energy: 0.4130747383220162
Energy: 0.3673843642209347
Energy: 0.3586590650363772
Energy: 0.38410377617354213
Energy: 0.3586590650372384
Energy: 0.3841037761752646
Energy: 0.35865906503809963
Energy: 0.38410377617440333
Energy: 0.3593398677422611
Energy: 0.39121344339636566
Energy: 0.3593398677422611
Energy: 0.3912134433967963
Energy: 0.3593398677422611
Energy: 0.3912134433967963
Energy: 0.3963918768289108
Energy: 0.36087250783912844
Energy: 0.3963918768293414
Energy: 0.3608725078395591
Energy: 0.3963918768289108
Energy: 0.36087250783912844
Energy: 0.39444322114907876
Energy: 0.3604409722843606
Energy: 0.3944432211508012
Energy: 0.3604409722843606
Energy: 0.39444322115037056
Energy: 0.3604409722843606

minimum gb energy = 0.3586590650363772 eV
minimum distance =  2.61513123830256 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.009231898442997334
Energy: 0.4136755063355843
Energy: 0.009231898442997334
Energy: 0.4136755063355843
Energy: 0.009231898442997334
Energy: 0.4136755063355843
Energy: 0.009897469309940142
Energy: 0.16786194044177072
Energy: 0.009897469309940142
Energy: 0.16786194044177072
Energy: 0.009897469309940142
Energy: 0.16786194044143282
Energy: 0.4139927751820357
Energy: 0.16778863194121674
Energy: 0.4139927751827313
Energy: 0.16778863443268358
Energy: 0.4139927751827313
Energy: 0.16778862747547926
Energy: 0.009897469308906543
Energy: 0.1678619404424664
Energy: 0.009897469309244449
Energy: 0.1678619404428242
Energy: 0.009897469309244449
Energy: 0.1678619404428242

minimum gb energy = 0.009231898442997334 eV
minimum distance =  2.8223865917817 Angstroms
sigma value = 1