model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005
a1=[1, 0, 0]
a2=[0, 1, 0]
a3=[0, 0, 1]
species=Al
theta_min=0.0
theta_max=90.0
max_denominator=15
short_name=fcc
cutoff_distance=0.5
x_repeat=1
z_repeat=1
min_cell_height=10.0
offset_top=[0.0, 0.0, 0.0]
offset_bottom=[0.0, 0.0, 0.0]
a=4.045259781181812
cohesive_energy=3.410925190644327
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010506298731104877
Energy: 0.01050629872865609
Energy: 0.010506298728183027
Energy: 0.010506298724760287
Energy: 0.010506298735028504
Energy: 0.010506298723758509
Energy: 0.010506298731605766
Energy: 0.44912807983831066
Energy: 0.4491280798378098
Energy: 0.01050629872865609
Energy: 0.010506298729156977
Energy: 0.01050629872133755
Energy: 0.010506298732106654
Energy: 0.0105062987223115
Energy: 0.010506298736503343
Energy: 0.4558810705288173
Energy: 0.010506298731104877
Energy: 0.010506298728183027
Energy: 0.010506298730631816
Energy: 0.01050629872083666
Energy: 0.010506298723758509
Energy: 0.010506298725734237
Energy: 0.010506298736002454
Energy: 0.01050629872133755
Energy: 0.010506298732579715
Energy: 0.44912807984270736
Energy: 0.44912807983831066
Energy: 0.010506298734054554
Energy: 0.010506298720335771
Energy: 0.010506298735028504
   minimum gb energy = 0.010506298720335771 eV
   minimum distance = 2.86032786596325 Angstroms
   sigma value = 1

========================================
theta = 7.628149668580709
========================================

Energy: 0.48361383566529614
Energy: 0.4038101367732982
Energy: 0.40381011155172786
Energy: 0.3952106776417911
Energy: 0.40368720153317256
Energy: 0.4036870412746574
Energy: 0.3974176217159041
Energy: 0.40704022264429734
Energy: 0.4070402329790508
Energy: 0.40513010974196056
Energy: 0.39473327847819095
Energy: 0.3947332897077788
Energy: 0.40667956436350816
Energy: 0.40415611717405264
Energy: 0.4041561159603962
Energy: 0.37115248272544465
Energy: 0.4097720444863796
Energy: 0.4097721855583475
Energy: 0.4119263408620244
Energy: 0.40415611711511573
Energy: 0.40415611719164485
Energy: 0.4057032421843862
Energy: 0.3960559593356581
Energy: 0.3960551436918509
Energy: 0.40187524244737854
Energy: 0.4006654252996961
Energy: 0.400667460988266
Energy: 0.411526018319943
Energy: 0.4165980353924042
Energy: 0.41659802126658446
   minimum gb energy = 0.37115248272544465 eV
   minimum distance = 2.55064040595021 Angstroms
   sigma value = 113

========================================
theta = 8.171233559949753
========================================

Energy: 0.48892524379645147
Energy: 0.4200954157945531
Energy: 0.42009542517191195
Energy: 0.3889635757609288
Energy: 0.42086277739954503
Energy: 0.4208628507119822
Energy: 0.3887810542669592
Energy: 0.4205204287438745
Energy: 0.42052042987671745
Energy: 0.3991975252758339
Energy: 0.42130631899329596
Energy: 0.421306544174606
Energy: 0.37877608534932977
Energy: 0.4200856837267234
Energy: 0.42008567828639987
Energy: 0.46735424201772385
Energy: 0.421306458917705
Energy: 0.42130650796150687
Energy: 0.3834604570168053
Energy: 0.42052047018834676
Energy: 0.4205204702668261
Energy: 0.37870754588183964
Energy: 0.4213064795635713
Energy: 0.4213064382401171
Energy: 0.42666154434043324
Energy: 0.4205204652419291
Energy: 0.4205204163816052
Energy: 0.3875347026505625
Energy: 0.42799621041380737
Energy: 0.42800274436153085
   minimum gb energy = 0.37870754588183964 eV
   minimum distance = 2.58960310252092 Angstroms
   sigma value = 197

========================================
theta = 8.797410709991064
========================================

Energy: 0.49346705201495134
Energy: 0.43190592488994595
Energy: 0.43190591209537105
Energy: 0.4034851301223664
Energy: 0.43171254963180755
Energy: 0.4317125542664991
Energy: 0.43456824732256727
Energy: 0.42238530643767574
Energy: 0.4223852070811076
Energy: 0.42202772791540694
Energy: 0.4998585758196343
Energy: 0.4998609040128591
Energy: 0.45037251152778424
Energy: 0.43338358107811575
Energy: 0.433383571508026
Energy: 0.3941593352829494
Energy: 0.43872979716037835
Energy: 0.438729723131626
Energy: 0.41541692019419224
Energy: 0.43338420473569034
Energy: 0.43338350646591206
Energy: 0.4269022411414079
Energy: 0.4863967775880273
Energy: 0.48639695190261506
Energy: 0.4383488038152902
Energy: 0.4223582796909754
Energy: 0.4223582666617702
Energy: 0.404045587018643
Energy: 0.43855459676481373
Energy: 0.4385575679897741
   minimum gb energy = 0.3941593352829494 eV
   minimum distance = 2.59055704816229 Angstroms
   sigma value = 169

========================================
theta = 9.527283381452357
========================================

Energy: 0.49980285655426904
Energy: 0.45107021104034745
Energy: 0.4510631826668448
Energy: 0.4381083337670045
Energy: 0.5147787259660035
Energy: 0.5147787983933384
Energy: 0.4475427447010362
Energy: 0.44826822843832553
Energy: 0.4482682188528936
Energy: 0.4413131293586539
Energy: 0.4510675122537257
Energy: 0.4510675231502435
Energy: 0.4459455715232174
Energy: 0.5176184764752721
Energy: 0.5176073534074433
Energy: 0.4748902645065969
Energy: 0.44661299704334445
Energy: 0.4466132661268103
Energy: 0.4440852430150075
Energy: 0.5593862176466681
Energy: 0.5593831348441483
Energy: 0.4061854754913291
Energy: 0.45106905048904555
Energy: 0.45106427096603496
Energy: 0.44546697686402414
Energy: 0.4754953837090389
Energy: 0.4754941522642789
Energy: 0.44084713036963424
Energy: 0.46674219382579896
Energy: 0.4667454000456496
   minimum gb energy = 0.4061854754913291 eV
   minimum distance = 2.55470481919539 Angstroms
   sigma value = 145

========================================
theta = 10.388857815469612
========================================

Energy: 0.5046692365093864
Energy: 0.47324320135575026
Energy: 0.4732431711723279
Energy: 0.4531921032961302
Energy: 0.47977564736653644
Energy: 0.4797759710557912
Energy: 0.4395144190147639
Energy: 0.46359886607377193
Energy: 0.463599126331401
Energy: 0.4226421743142342
Energy: 0.4862685289640683
Energy: 0.48623942204814585
Energy: 0.46778108939703594
Energy: 0.48477303427001556
Energy: 0.4847704573793591
Energy: 0.42097376200501185
Energy: 0.4732252565820388
Energy: 0.47322528127055413
Energy: 0.46778109706100374
Energy: 0.45214163311062494
Energy: 0.45214160081886823
Energy: 0.46778111208401735
Energy: 0.4402612334355857
Energy: 0.4402608272088308
Energy: 0.4257875962793235
Energy: 0.4629743987901235
Energy: 0.4629744015721324
Energy: 0.46290823124421693
Energy: 0.45987942256528513
Energy: 0.45987941993306675
   minimum gb energy = 0.42097376200501185 eV
   minimum distance = 2.53775403770948 Angstroms
   sigma value = 61

========================================
theta = 11.421186274999284
========================================

Energy: 0.4944646194082048
Energy: 0.4880774150002471
Energy: 0.48807741497588075
Energy: 0.47712405975539945
Energy: 0.49283030747443596
Energy: 0.4928276783419297
Energy: 0.46609171067398225
Energy: 0.49457377417589055
Energy: 0.4945737786446366
Energy: 0.4595345072505251
Energy: 0.4857328288434845
Energy: 0.48573279689779125
Energy: 0.4831331456714787
Energy: 0.46341792233903717
Energy: 0.46341555568084813
Energy: 0.4831333045314615
Energy: 0.4973502016875673
Energy: 0.4973500232091871
Energy: 0.44160891038799116
Energy: 0.5022525256798152
Energy: 0.5022524307803972
Energy: 0.4587203865694406
Energy: 0.4753739135009803
Energy: 0.47537391047893146
Energy: 0.4660931135731741
Energy: 0.5092465077301669
Energy: 0.5089986968727134
Energy: 0.48504443885027626
Energy: 0.4784764558657052
Energy: 0.47847645721841475
   minimum gb energy = 0.44160891038799116 eV
   minimum distance = 2.44218364093347 Angstroms
   sigma value = 101

========================================
theta = 12.68038349181982
========================================

Energy: 0.5233071403571259
Energy: 0.5187434323900102
Energy: 0.5187439996255543
Energy: 0.4733288020222438
Energy: 0.5266736657867166
Energy: 0.5266738512332143
Energy: 0.45383106774855136
Energy: 0.5195145135606729
Energy: 0.5195141772632004
Energy: 0.46805667145777846
Energy: 0.5195137392370326
Energy: 0.5195139478107372
Energy: 0.4724049554300537
Energy: 0.5187053176430095
Energy: 0.5187055616886551
Energy: 0.4614199987815312
Energy: 0.5187055751968002
Energy: 0.5187052507424014
Energy: 0.4856291631133778
Energy: 0.5195140901622525
Energy: 0.5195137958028907
Energy: 0.4538310789255967
Energy: 0.5195141519892734
Energy: 0.5195137320994258
Energy: 0.4733287971329871
Energy: 0.5195141475098314
Energy: 0.5195140325800446
Energy: 0.5233070521928237
Energy: 0.5266737983732397
Energy: 0.5266739855988781
   minimum gb energy = 0.45383106774855136 eV
   minimum distance = 2.45869558355597 Angstroms
   sigma value = 81

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

Energy: 0.5079731706827173
Energy: 0.526434206560128
Energy: 0.52643394166546
Energy: 0.49633768617426693
Energy: 0.4859844801794853
Energy: 0.4859843336894525
Energy: 0.5186277042003541
Energy: 0.49882370245371854
Energy: 0.4988235286755095
Energy: 0.5230468083567731
Energy: 0.5090152497246178
Energy: 0.5090152509827427
Energy: 0.49934336629690224
Energy: 0.5007195031252737
Energy: 0.5007198527947754
Energy: 0.4993433775191604
Energy: 0.5007198146759656
Energy: 0.5007197452226236
Energy: 0.5230466502619142
Energy: 0.5007199538359095
Energy: 0.5007197999714149
Energy: 0.5230466481428112
Energy: 0.49593963081505577
Energy: 0.4959407692975323
Energy: 0.4963376924035378
Energy: 0.48598447685143464
Energy: 0.4859842943471159
Energy: 0.5079762149894886
Energy: 0.4977157199921691
Energy: 0.4977157505737979
   minimum gb energy = 0.4859842943471159 eV
   minimum distance = 2.45203830868378 Angstroms
   sigma value = 1

========================================
theta = 15.18928673718289
========================================

Energy: 0.5527005180145964
Energy: 0.5164025643517326
Energy: 0.5164013960575484
Energy: 0.5373272748804296
Energy: 0.5095583807708021
Energy: 0.5095584155040765
Energy: 0.5462951385406545
Energy: 0.5084980099481653
Energy: 0.5084971223015198
Energy: 0.5035098935175283
Energy: 0.518072045502893
Energy: 0.5180720793869629
Energy: 0.5174690301328425
Energy: 0.5601452291656992
Energy: 0.5601436306585047
Energy: 0.5092711018470528
Energy: 0.4962502548620668
Energy: 0.49625199388390534
Energy: 0.510910578056559
Energy: 0.5398280470434048
Energy: 0.5398279646609007
Energy: 0.5165382433508445
Energy: 0.5576009088701049
Energy: 0.5576009085003596
Energy: 0.4913169345054338
Energy: 0.5192139696200144
Energy: 0.5192165340217266
Energy: 0.5415246945461377
Energy: 0.5332350343455237
Energy: 0.5332347450366739
   minimum gb energy = 0.4913169345054338 eV
   minimum distance = 2.43108095134222 Angstroms
   sigma value = 229

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

Energy: 0.533775762665394
Energy: 0.5304019920336553
Energy: 0.530402171376369
Energy: 0.5561734435949323
Energy: 0.5054195164467676
Energy: 0.5054185834372524
Energy: 0.5261584317761812
Energy: 0.5304022294705499
Energy: 0.5304018487120754
Energy: 0.4890869624298169
Energy: 0.5304021268286797
Energy: 0.530401900489606
Energy: 0.5159689823759733
Energy: 0.5758011985842107
Energy: 0.5757997801694305
Energy: 0.49476803681597026
Energy: 0.5285635198920383
Energy: 0.5285635196442056
Energy: 0.4974647163601291
Energy: 0.5645462322505523
Energy: 0.5645459696341691
Energy: 0.49827598715415045
Energy: 0.5304022143019375
Energy: 0.5304020258601531
Energy: 0.5261585169571745
Energy: 0.5285635205822994
Energy: 0.5285635159382368
Energy: 0.5337758467435441
Energy: 0.5304021454256456
Energy: 0.5304021371171715
   minimum gb energy = 0.4890869624298169 eV
   minimum distance = 2.44728512505196 Angstroms
   sigma value = 25

========================================
theta = 17.49232452511042
========================================

Energy: 0.5608119718946154
Energy: 0.5254960663226217
Energy: 0.5254976916444442
Energy: 0.5069960606404302
Energy: 0.5285329859435163
Energy: 0.5285314348703818
Energy: 0.5436842793514934
Energy: 0.5562042142513227
Energy: 0.5562039375283386
Energy: 0.5021530984668692
Energy: 0.5285305253626698
Energy: 0.528530442710653
Energy: 0.5261561298569579
Energy: 0.5254961206970484
Energy: 0.5254958915303494
Energy: 0.5345711219495712
Energy: 0.5556014112924954
Energy: 0.5556018430053552
Energy: 0.5387160710446093
Energy: 0.5231261039875955
Energy: 0.5231264808160702
Energy: 0.5231261165095872
Energy: 0.5336762135945462
Energy: 0.5336762137207072
Energy: 0.5219858274244019
Energy: 0.5417510827892649
Energy: 0.5417514037906506
Energy: 0.5339963313295313
Energy: 0.5710258862320483
Energy: 0.5710258713764343
   minimum gb energy = 0.5021530984668692 eV
   minimum distance = 2.43461449163977 Angstroms
   sigma value = 173

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

Energy: 0.52475396496256
Energy: 0.5808135383816804
Energy: 0.5822771996006846
Energy: 0.5530418898974908
Energy: 0.5111042459757592
Energy: 0.5111042498669539
Energy: 0.5502138742149936
Energy: 0.5503001617645239
Energy: 0.5503001617589061
Energy: 0.5505674945063437
Energy: 0.5785559672341047
Energy: 0.5785558660490963
Energy: 0.5111042529662403
Energy: 0.553041986101598
Energy: 0.5530419031324207
Energy: 0.511104247079135
Energy: 0.5141872774566467
Energy: 0.5141870457686007
Energy: 0.5510959288252252
Energy: 0.5494187116725442
Energy: 0.5494182690409516
Energy: 0.5189320774301712
Energy: 0.54538532743701
Energy: 0.5453852947122528
Energy: 0.5558545429750131
Energy: 0.5111042503860606
Energy: 0.5111042512938748
Energy: 0.5530418920954042
Energy: 0.5453853391573117
Energy: 0.5453853283222981
   minimum gb energy = 0.5111042459757592 eV
   minimum distance = 2.43724778963685 Angstroms
   sigma value = 9

========================================
theta = 20.609692937532067
========================================

Energy: 0.5707495002347018
Energy: 0.5681645894975387
Energy: 0.5681652125154363
Energy: 0.5363320150847937
Energy: 0.6613451929980095
Energy: 0.6613450926137607
Energy: 0.5379239600517858
Energy: 0.5345415438268003
Energy: 0.5345416234478106
Energy: 0.5629994602589864
Energy: 0.5589896588473231
Energy: 0.5589896462216896
Energy: 0.5309214318201683
Energy: 0.5345416365796142
Energy: 0.5345416062623076
Energy: 0.5565038943883661
Energy: 0.5672055366205302
Energy: 0.5672055675385862
Energy: 0.5280709777940472
Energy: 0.5506441986233094
Energy: 0.5506397829903372
Energy: 0.5619239009751112
Energy: 0.528071156421352
Energy: 0.5280710679971954
Energy: 0.558781372048259
Energy: 0.5488217608824227
Energy: 0.548821668653739
Energy: 0.5860695242645744
Energy: 0.5309212969668692
Energy: 0.5309211096616415
   minimum gb energy = 0.5280709777940472 eV
   minimum distance = 2.4794781093816 Angstroms
   sigma value = 31

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

Energy: 0.5761776267918316
Energy: 0.540627346373255
Energy: 0.5406272640253881
Energy: 0.5686070750977732
Energy: 0.5698944079275612
Energy: 0.5698944284739688
Energy: 0.5748366875491076
Energy: 0.5769059280086408
Energy: 0.5769059309522057
Energy: 0.5588136690231127
Energy: 0.5309864013833855
Energy: 0.5309864187846118
Energy: 0.5418858318078934
Energy: 0.5777706517595043
Energy: 0.5777706541923046
Energy: 0.55567249615524
Energy: 0.5698943832250304
Energy: 0.5698944277865607
Energy: 0.5274080819114687
Energy: 0.5427586434241052
Energy: 0.542758643199437
Energy: 0.5274080822167747
Energy: 0.5474779241593255
Energy: 0.5474779308893979
Energy: 0.5537690103445221
Energy: 0.5773736014307631
Energy: 0.5773738705165878
Energy: 0.5724127232307371
Energy: 0.5786841943797999
Energy: 0.578684154743421
   minimum gb energy = 0.5274080819114687 eV
   minimum distance = 2.47670946243625 Angstroms
   sigma value = 25

========================================
theta = 24.189514154024202
========================================

Energy: 0.5771717215150767
Energy: 0.5719134607206893
Energy: 0.5719141691420585
Energy: 0.5717294957961474
Energy: 0.5637970334337316
Energy: 0.5637967876299916
Energy: 0.5703377307707588
Energy: 0.5456420428219765
Energy: 0.5456313139068827
Energy: 0.5513818954325539
Energy: 0.5719152687397058
Energy: 0.5719130038444095
Energy: 0.5476329828596878
Energy: 0.5446293002440236
Energy: 0.544628221290202
Energy: 0.5703397570629309
Energy: 0.5602963024122432
Energy: 0.5602963125409688
Energy: 0.5402834852104663
Energy: 0.5719141878263995
Energy: 0.5719142024382787
Energy: 0.5721379519145411
Energy: 0.5466005755434906
Energy: 0.5466005196651988
Energy: 0.5703375068181357
Energy: 0.5603167530728613
Energy: 0.5602979301435232
Energy: 0.5356966503222237
Energy: 0.5719148234674949
Energy: 0.5719148839000578
   minimum gb energy = 0.5356966503222237 eV
   minimum distance = 2.45638631897985 Angstroms
   sigma value = 205

========================================
theta = 25.057615418303023
========================================

Energy: 0.585820279343001
Energy: 0.5844890533128414
Energy: 0.5844893152553574
Energy: 0.5655562383092554
Energy: 0.5844888678464818
Energy: 0.5844898240519948
Energy: 0.5965772070273831
Energy: 0.5728242534984312
Energy: 0.5728239583324519
Energy: 0.5746501471935076
Energy: 0.5523505487666925
Energy: 0.5523509192343075
Energy: 0.6003675155734403
Energy: 0.5416530393289688
Energy: 0.5416529109648026
Energy: 0.6000786671473074
Energy: 0.5973591344278872
Energy: 0.5973587330640704
Energy: 0.5532928272912281
Energy: 0.5520862574700409
Energy: 0.5520862228612123
Energy: 0.5416582190590993
Energy: 0.5520862491984144
Energy: 0.5520860056894625
Energy: 0.5878788863588065
Energy: 0.5485797936403438
Energy: 0.548580053170604
Energy: 0.5980175054131948
Energy: 0.5747925475807257
Energy: 0.5747926451655095
   minimum gb energy = 0.5416529109648026 eV
   minimum distance = 2.45528357646504 Angstroms
   sigma value = 85

========================================
theta = 25.98923358383301
========================================

Energy: 0.6041681819844344
Energy: 0.5605112565193324
Energy: 0.5605112398751849
Energy: 0.5463595026143391
Energy: 0.5683238562000572
Energy: 0.5683238643414231
Energy: 0.5642123915062818
Energy: 0.5648536521818922
Energy: 0.5648542781451398
Energy: 0.5408337072214621
Energy: 0.5446895654888683
Energy: 0.5445296405552794
Energy: 0.5720010109522462
Energy: 0.5999545967983246
Energy: 0.5999542134457788
Energy: 0.5735600120638548
Energy: 0.5805105690398229
Energy: 0.580510889081869
Energy: 0.5789923605059566
Energy: 0.566522127427302
Energy: 0.5665222138501237
Energy: 0.5947709662487228
Energy: 0.5998233101849696
Energy: 0.5998243727094413
Energy: 0.5842612979699904
Energy: 0.5673615662920828
Energy: 0.5673615960857576
Energy: 0.5370571980111113
Energy: 0.5657871277589153
Energy: 0.5657869913193205
   minimum gb energy = 0.5370571980111113 eV
   minimum distance = 2.45491120506476 Angstroms
   sigma value = 89

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

Energy: 0.5401474288303352
Energy: 0.5964858602738432
Energy: 0.5964856658590111
Energy: 0.6603577882812421
Energy: 0.5222466463534974
Energy: 0.5222466477022863
Energy: 0.6440260563833099
Energy: 0.5964858249763197
Energy: 0.5964855448305887
Energy: 0.5222466463226406
Energy: 0.5641826017408585
Energy: 0.5641825845070705
Energy: 0.5798670849164429
Energy: 0.5947049985424543
Energy: 0.5947049988440299
Energy: 0.5222466464259284
Energy: 0.5709151091270331
Energy: 0.5709147004704781
Energy: 0.5866817103185014
Energy: 0.5964855824089483
Energy: 0.5964858754227343
Energy: 0.5222466480477849
Energy: 0.5709155588182026
Energy: 0.5709148454742309
Energy: 0.5947049960752087
Energy: 0.5964855084288627
Energy: 0.5964857564317226
Energy: 0.5284279659470622
Energy: 0.5222466466859567
Energy: 0.5222466547169232
   minimum gb energy = 0.5222466463226406 eV
   minimum distance = 2.60850538947097 Angstroms
   sigma value = 17

========================================
theta = 29.86283435627511
========================================

Energy: 0.61294812905078
Energy: 0.5735725296683613
Energy: 0.573572581259037
Energy: 0.5489751628573796
Energy: 0.5678513354426918
Energy: 0.5678514921083206
Energy: 0.5772243378551164
Energy: 0.5893350731223008
Energy: 0.5893333356044984
Energy: 0.5861862441278942
Energy: 0.579205978116065
Energy: 0.5792060558551017
Energy: 0.567952421160302
Energy: 0.5713149470912346
Energy: 0.5703862287434575
Energy: 0.6056480412738993
Energy: 0.597073977606651
Energy: 0.5970191978183879
Energy: 0.5819712554270744
Energy: 0.577473116235463
Energy: 0.5774734437441655
Energy: 0.5411139624601141
Energy: 0.5868759252499897
Energy: 0.5868213702703006
Energy: 0.6384777536129315
Energy: 0.5943208023410202
Energy: 0.5943208053582204
Energy: 0.5635291102531531
Energy: 0.579206392559436
Energy: 0.5792060867600513
   minimum gb energy = 0.5411139624601141 eV
   minimum distance = 2.46419214525058 Angstroms
   sigma value = 241

========================================
theta = 30.510237406115554
========================================

Energy: 0.5910762835445068
Energy: 0.5899717882260778
Energy: 0.589972334023797
Energy: 0.5589305636127226
Energy: 0.6074864319704408
Energy: 0.6074864298283926
Energy: 0.6269500515338778
Energy: 0.5788637418661507
Energy: 0.5788588446716832
Energy: 0.5585841949636386
Energy: 0.5899729148753577
Energy: 0.5899714559604883
Energy: 0.5907039031747464
Energy: 0.5899745055267273
Energy: 0.5899724186823504
Energy: 0.6307252249701205
Energy: 0.653241287026601
Energy: 0.6532401374635032
Energy: 0.566993479175656
Energy: 0.6042231109878069
Energy: 0.6042217437840697
Energy: 0.5585844716964304
Energy: 0.5899716976531643
Energy: 0.5899717824804512
Energy: 0.5463249324144308
Energy: 0.5881292328176041
Energy: 0.5881350257918676
Energy: 0.6085609794133099
Energy: 0.6205431067511623
Energy: 0.6205428166899101
   minimum gb energy = 0.5463249324144308 eV
   minimum distance = 2.44632238026296 Angstroms
   sigma value = 65

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

Energy: 0.5793778659209242
Energy: 0.5800665495011958
Energy: 0.5800675013058596
Energy: 0.5385600844434103
Energy: 0.5727913268056424
Energy: 0.5729889594437932
Energy: 0.5385900080038417
Energy: 0.5888339337600822
Energy: 0.5888339244448257
Energy: 0.5754054990739745
Energy: 0.5707168497559071
Energy: 0.5707170789978582
Energy: 0.6862043433211075
Energy: 0.579162669097722
Energy: 0.5791627491794008
Energy: 0.6422420512034738
Energy: 0.6084347531534307
Energy: 0.6084350648130987
Energy: 0.5386014262184952
Energy: 0.5888339258878708
Energy: 0.5888339006386029
Energy: 0.5676114590703645
Energy: 0.5924186528483348
Energy: 0.5924184002137088
Energy: 0.57916201214517
Energy: 0.5800674965228428
Energy: 0.5800673091742725
Energy: 0.5385600505096353
Energy: 0.6079529070370762
Energy: 0.607954695919564
   minimum gb energy = 0.5385600505096353 eV
   minimum distance = 2.62192247516872 Angstroms
   sigma value = 53

========================================
theta = 33.39848846798724
========================================

Energy: 0.586398978812065
Energy: 0.5589376588289598
Energy: 0.5589376322201233
Energy: 0.669304427155745
Energy: 0.6085786079992384
Energy: 0.6085786080015626
Energy: 0.5615107031328065
Energy: 0.5824308359078425
Energy: 0.582431043353851
Energy: 0.5332860125718023
Energy: 0.6488235903333227
Energy: 0.6488368273271942
Energy: 0.6922129866415856
Energy: 0.623059913249186
Energy: 0.6230600430481154
Energy: 0.5556481865204487
Energy: 0.6418662450905053
Energy: 0.641875554761575
Energy: 0.561510703327868
Energy: 0.5770613744699528
Energy: 0.5770599570897573
Energy: 0.6031148427780995
Energy: 0.5819969808216057
Energy: 0.5819974771531004
Energy: 0.5863993243850288
Energy: 0.5589375382297347
Energy: 0.558937642756664
Energy: 0.6525342294079997
Energy: 0.5798827106670005
Energy: 0.579880370241986
   minimum gb energy = 0.5332860125718023 eV
   minimum distance = 2.53430210701381 Angstroms
   sigma value = 109

========================================
theta = 34.20545793810475
========================================

Energy: 0.6054674176428612
Energy: 0.6067760839979107
Energy: 0.6067758526575233
Energy: 0.5586401368159369
Energy: 0.6171348001967064
Energy: 0.6171334515613797
Energy: 0.5614985670061803
Energy: 0.5919022282566467
Energy: 0.5919021228397949
Energy: 0.5647584976452059
Energy: 0.6019967985412331
Energy: 0.6019967821912788
Energy: 0.6742646862035719
Energy: 0.6054672353750541
Energy: 0.6054681939313897
Energy: 0.5647587038410512
Energy: 0.6019967842838504
Energy: 0.601996784312984
Energy: 0.5614988089493647
Energy: 0.5919022463154942
Energy: 0.5919022456719709
Energy: 0.5586401373860371
Energy: 0.6171327866485203
Energy: 0.6171343740353082
Energy: 0.6054685616695951
Energy: 0.6067808610649414
Energy: 0.6067768705649376
Energy: 0.5586400694988077
Energy: 0.6171325840065047
Energy: 0.6171343684425583
   minimum gb energy = 0.5586400694988077 eV
   minimum distance = 2.46292474827735 Angstroms
   sigma value = 185

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

Energy: 0.5008381757839389
Energy: 0.5008381752978425
Energy: 0.500838175715829
Energy: 0.588163004098921
Energy: 0.5193034333716807
Energy: 0.519303435285091
Energy: 0.5095075156137746
Energy: 0.5342003203750137
Energy: 0.5342003082815637
Energy: 0.5957595740244588
Energy: 0.519303437517403
Energy: 0.5193034371133554
Energy: 0.5008381770177295
Energy: 0.5008381754387085
Energy: 0.5008381759000248
Energy: 0.5881630035245812
Energy: 0.5193034363749183
Energy: 0.519303432710646
Energy: 0.5095075156106773
Energy: 0.534200308340381
Energy: 0.5342003083883571
Energy: 0.5957596588242267
Energy: 0.5376821136137346
Energy: 0.5376821136447096
Energy: 0.5008381755594756
Energy: 0.5008381762080851
Energy: 0.5008381792624315
Energy: 0.5881630040555911
Energy: 0.5376821052108505
Energy: 0.5376821213169006
   minimum gb energy = 0.5008381752978425 eV
   minimum distance = 2.58073828379039 Angstroms
   sigma value = 9

========================================
theta = 39.30764811610662
========================================

Energy: 0.5921329979875306
Energy: 0.5931356919051307
Energy: 0.5931351725887589
Energy: 0.6877231560524973
Energy: 0.5756421148880925
Energy: 0.5756421055494758
Energy: 0.5762898276657682
Energy: 0.5981932931925223
Energy: 0.5981927391513872
Energy: 0.5762045948933229
Energy: 0.5880294093619982
Energy: 0.5880325634910841
Energy: 0.5756076162739903
Energy: 0.6162434473145518
Energy: 0.6162433431354098
Energy: 0.575678768738558
Energy: 0.5946440159777605
Energy: 0.5946429636510544
Energy: 0.709565408452423
Energy: 0.6350185810760164
Energy: 0.635018590958999
Energy: 0.5880327612909898
Energy: 0.6276817810424277
Energy: 0.6276828062423403
Energy: 0.6941006103481672
Energy: 0.590933608345995
Energy: 0.5909343788188354
Energy: 0.5756777727960005
Energy: 0.5963433210542975
Energy: 0.596343322647442
   minimum gb energy = 0.5756076162739903 eV
   minimum distance = 2.55763296256592 Angstroms
   sigma value = 221

========================================
theta = 39.96621304379996
========================================

Energy: 0.6033628269700477
Energy: 0.6078397914838046
Energy: 0.6078397973944087
Energy: 0.5508146097464278
Energy: 0.5843397683199615
Energy: 0.5843394033740809
Energy: 0.5456897647955982
Energy: 0.5851534127533407
Energy: 0.5851522996953713
Energy: 0.5539053440238599
Energy: 0.6403252855425658
Energy: 0.6318018806971301
Energy: 0.5876529463512433
Energy: 0.6033632145198436
Energy: 0.6033633686915775
Energy: 0.6459674261656457
Energy: 0.5995888020201019
Energy: 0.5995887888600945
Energy: 0.7171613193861207
Energy: 0.5456888183533252
Energy: 0.5456892056425544
Energy: 0.6656118056420628
Energy: 0.5445761983377537
Energy: 0.5445762341317844
Energy: 0.6798664975696095
Energy: 0.6095815950462441
Energy: 0.6131799186067989
Energy: 0.6465655493468184
Energy: 0.592144228171306
Energy: 0.5921441839818917
   minimum gb energy = 0.5445761983377537 eV
   minimum distance = 2.51029284640042 Angstroms
   sigma value = 137

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

Energy: 0.5653489470098702
Energy: 0.6420203856945721
Energy: 0.6420187532181076
Energy: 0.7011574160166656
Energy: 0.5629661675155344
Energy: 0.5629646148534649
Energy: 0.6220151891567005
Energy: 0.6525811399385659
Energy: 0.6525812434329922
Energy: 0.5668900218263875
Energy: 0.650697794137922
Energy: 0.6506987730629067
Energy: 0.6216672241049693
Energy: 0.6367859974668563
Energy: 0.636785942037785
Energy: 0.5629644014686448
Energy: 0.6381223546238909
Energy: 0.638121776893795
Energy: 0.7072426390247081
Energy: 0.6469312162361407
Energy: 0.6469322012608696
Energy: 0.5668905415977746
Energy: 0.6032476250299035
Energy: 0.6032595417512917
Energy: 0.660161934602423
Energy: 0.5862217985752595
Energy: 0.5862243649813015
Energy: 0.5666969149168143
Energy: 0.586222769675817
Energy: 0.5862246165805148
   minimum gb energy = 0.5629644014686448 eV
   minimum distance = 2.50128746480107 Angstroms
   sigma value = 73

========================================
theta = 42.075022050843636
========================================

Energy: 0.612070482365736
Energy: 0.6169296065764611
Energy: 0.6169307074902831
Energy: 0.5947798546975889
Energy: 0.5996261625874457
Energy: 0.5996290200666131
Energy: 0.595092542773414
Energy: 0.6140496671175607
Energy: 0.6140493106038022
Energy: 0.5624218875523164
Energy: 0.607486457101797
Energy: 0.6074865434869976
Energy: 0.6096678196177054
Energy: 0.5964751836805947
Energy: 0.5964749852539284
Energy: 0.5721056145369867
Energy: 0.6078312825992158
Energy: 0.6078318480285362
Energy: 0.560624920284579
Energy: 0.6279702873130062
Energy: 0.6279639691553928
Energy: 0.5851705411532181
Energy: 0.5967802443454813
Energy: 0.5967803590904364
Energy: 0.5819392148746242
Energy: 0.5889401476313019
Energy: 0.5889400490430311
Energy: 0.560624731364462
Energy: 0.6300159071093621
Energy: 0.6300158403839317
   minimum gb energy = 0.560624731364462 eV
   minimum distance = 2.56693370521045 Angstroms
   sigma value = 97

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

Energy: 0.5994321375062978
Energy: 0.5995060510113785
Energy: 0.5995060601855294
Energy: 0.5729762723452095
Energy: 0.5964052642149122
Energy: 0.596405016516886
Energy: 0.5740135488671833
Energy: 0.6063298997687945
Energy: 0.6063304460090725
Energy: 0.566692972897178
Energy: 0.6036563361756303
Energy: 0.6036564709164493
Energy: 0.6914737627924572
Energy: 0.5608041625582928
Energy: 0.5608041633591734
Energy: 0.6350839000444225
Energy: 0.5981954600342289
Energy: 0.5981955761794767
Energy: 0.6209682223111344
Energy: 0.5635557784483414
Energy: 0.5635556977616575
Energy: 0.6067378233938512
Energy: 0.6199155061248365
Energy: 0.6199161262757211
Energy: 0.6051457735531686
Energy: 0.6114678386834654
Energy: 0.6114679185983715
Energy: 0.5670411743374396
Energy: 0.6306615838422769
Energy: 0.630876849107446
   minimum gb energy = 0.5608041625582928 eV
   minimum distance = 2.4062722919629 Angstroms
   sigma value = 7

========================================
theta = 45.23972989608085
========================================

Energy: 0.5827810756225031
Energy: 0.5860140779008206
Energy: 0.5860119779497807
Energy: 0.5680143551146511
Energy: 0.6438765594733252
Energy: 0.643887628707388
Energy: 0.6659553611511019
Energy: 0.6053700543630327
Energy: 0.6053702813275037
Energy: 0.5856789689756037
Energy: 0.6094058835456528
Energy: 0.6094047607163696
Energy: 0.5759344584850947
Energy: 0.6536074855235628
Energy: 0.653609903599366
Energy: 0.5714729554056373
Energy: 0.629466107418003
Energy: 0.6295102272802384
Energy: 0.5881004255779696
Energy: 0.5773255624568459
Energy: 0.5773240114224798
Energy: 0.7259096774998611
Energy: 0.5710652537645637
Energy: 0.5710653248646516
Energy: 0.5884231004980973
Energy: 0.6279835551660784
Energy: 0.6279834967051658
Energy: 0.5714730141207442
Energy: 0.6282765945538696
Energy: 0.6282689583336192
   minimum gb energy = 0.5680143551146511 eV
   minimum distance = 2.52750395746091 Angstroms
   sigma value = 169

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

Energy: 0.582703765110449
Energy: 0.5903419819730604
Energy: 0.5903419708160302
Energy: 0.5962244859022484
Energy: 0.5800122647433453
Energy: 0.5800122637380014
Energy: 0.6270247547771745
Energy: 0.58763084728594
Energy: 0.5876451834233904
Energy: 0.5751517188179518
Energy: 0.5824430354896751
Energy: 0.5824444908619941
Energy: 0.5827036611487878
Energy: 0.6033932810489392
Energy: 0.603393473478861
Energy: 0.6519950828992297
Energy: 0.5737903521879814
Energy: 0.5737903697215935
Energy: 0.5694484350423582
Energy: 0.6334984951023654
Energy: 0.6334985242725435
Energy: 0.5694485266070074
Energy: 0.624914260269899
Energy: 0.6249141698115288
Energy: 0.6901717079577367
Energy: 0.592473295515155
Energy: 0.5924730522437858
Energy: 0.5693410737049022
Energy: 0.6046199605392647
Energy: 0.6046226713326228
   minimum gb energy = 0.5693410737049022 eV
   minimum distance = 2.48585607690501 Angstroms
   sigma value = 29

========================================
theta = 47.92497794915637
========================================

Energy: 0.5922640958111461
Energy: 0.5984671460367081
Energy: 0.5984713094631265
Energy: 0.5780850106683997
Energy: 0.6297013803248598
Energy: 0.6297013525604882
Energy: 0.6153216885961946
Energy: 0.5781197773590008
Energy: 0.5781197803423264
Energy: 0.5809762783433325
Energy: 0.6176524905794809
Energy: 0.617652146880327
Energy: 0.5809453354786611
Energy: 0.6471597918435813
Energy: 0.6471598709843701
Energy: 0.6292758156592726
Energy: 0.6137558286218608
Energy: 0.6137548036068247
Energy: 0.584830721518417
Energy: 0.6024173489340824
Energy: 0.6024138267302687
Energy: 0.5816046022004902
Energy: 0.6288252147201353
Energy: 0.628812372455881
Energy: 0.6026483207989486
Energy: 0.6257239847804863
Energy: 0.625723952422843
Energy: 0.610448777802213
Energy: 0.6219207719134346
Energy: 0.6219206911860715
   minimum gb energy = 0.5780850106683997 eV
   minimum distance = 2.49833847883242 Angstroms
   sigma value = 97

========================================
theta = 48.88790956083307
========================================

Energy: 0.5839191898256743
Energy: 0.592332291634615
Energy: 0.59233227955598
Energy: 0.5764885062089359
Energy: 0.6224563552219798
Energy: 0.6224569365504288
Energy: 0.5865531199527004
Energy: 0.6112134246554346
Energy: 0.6112150411825185
Energy: 0.579662829957118
Energy: 0.6145322871955962
Energy: 0.6145330365407063
Energy: 0.6150994140229769
Energy: 0.5723093730149688
Energy: 0.5723091249052921
Energy: 0.6154881600670413
Energy: 0.5867213295376466
Energy: 0.5867209042051668
Energy: 0.5699152752059197
Energy: 0.578941060868087
Energy: 0.5789409239844927
Energy: 0.5772009769362243
Energy: 0.5780873004324306
Energy: 0.5780849272623161
Energy: 0.5729233048048128
Energy: 0.6461697972662886
Energy: 0.6461698970153876
Energy: 0.5713323245739622
Energy: 0.58438408439749
Energy: 0.5848836358888745
   minimum gb energy = 0.5699152752059197 eV
   minimum distance = 2.49849165024921 Angstroms
   sigma value = 73

========================================
theta = 49.55028113766384
========================================

Energy: 0.5879782104911494
Energy: 0.5904772099406017
Energy: 0.5904761659480945
Energy: 0.6400269512338052
Energy: 0.5792842673319385
Energy: 0.5792840893627583
Energy: 0.5732816733995503
Energy: 0.6199345597611239
Energy: 0.6199347781693627
Energy: 0.6706093943078908
Energy: 0.572741979360623
Energy: 0.5727431253516586
Energy: 0.5775115919118233
Energy: 0.6191621557269886
Energy: 0.6191614573560441
Energy: 0.593654250153523
Energy: 0.5777789513318305
Energy: 0.5777789879531079
Energy: 0.5724036229265974
Energy: 0.6317850710211419
Energy: 0.6317922544232639
Energy: 0.5849164961856765
Energy: 0.5817162730952105
Energy: 0.5817213322555225
Energy: 0.5792869419936316
Energy: 0.596236996212614
Energy: 0.5962373252471402
Energy: 0.6004421803399018
Energy: 0.5898057415770168
Energy: 0.5898028175757234
   minimum gb energy = 0.5724036229265974 eV
   minimum distance = 2.49306426621969 Angstroms
   sigma value = 205

========================================
theta = 50.033786956200046
========================================

Energy: 0.5876032892324159
Energy: 0.5918515736046851
Energy: 0.5918595107810548
Energy: 0.5795266749738393
Energy: 0.6184137277073749
Energy: 0.6184159076465753
Energy: 0.5742849073778744
Energy: 0.6185602807461791
Energy: 0.6185611285732243
Energy: 0.5766414755784708
Energy: 0.5980286386226102
Energy: 0.5980283471276444
Energy: 0.5762180228351524
Energy: 0.605161774145913
Energy: 0.6051613246705346
Energy: 0.5848170662371982
Energy: 0.5886682358149837
Energy: 0.5886702622817538
Energy: 0.6182091714165022
Energy: 0.5753222684935566
Energy: 0.5753222041696647
Energy: 0.6334046073865216
Energy: 0.5829205789306126
Energy: 0.5829222723550814
Energy: 0.5916663606201138
Energy: 0.5829206264545926
Energy: 0.5829255382052372
Energy: 0.6047402581842998
Energy: 0.5762340276665947
Energy: 0.5762287767848951
   minimum gb energy = 0.5742849073778744 eV
   minimum distance = 2.49316176739739 Angstroms
   sigma value = 137

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

Energy: 0.5563101928035107
Energy: 0.5734974798443879
Energy: 0.5734974803052392
Energy: 0.5651835172959624
Energy: 0.5563102133990299
Energy: 0.5563101968324504
Energy: 0.5736587831882652
Energy: 0.5565961291816902
Energy: 0.5565961273011002
Energy: 0.5563102061314623
Energy: 0.5397592891345823
Energy: 0.5397592516328934
Energy: 0.5563101927778996
Energy: 0.5563101927763564
Energy: 0.5563101937164274
Energy: 0.5563101963317761
Energy: 0.5565961271347148
Energy: 0.5565961271034041
Energy: 0.5971574620151554
Energy: 0.5841046990896097
Energy: 0.5841047126225001
Energy: 0.556310193106937
Energy: 0.5563101927901452
Energy: 0.5563101930953386
Energy: 0.5563101928407204
Energy: 0.5563101933324345
Energy: 0.5563101993801248
Energy: 0.5971573675927785
Energy: 0.5841046989195159
Energy: 0.5841047055092715
   minimum gb energy = 0.5397592516328934 eV
   minimum distance = 2.57637026108964 Angstroms
   sigma value = 5

========================================
theta = 56.144973871705915
========================================

Energy: 0.5656533366768444
Energy: 0.587519892139103
Energy: 0.587520102546689
Energy: 0.5564723310660694
Energy: 0.6119139525161764
Energy: 0.6119116374318734
Energy: 0.5523287160157012
Energy: 0.5936062556727049
Energy: 0.5936067454243998
Energy: 0.5534951448807786
Energy: 0.579876592314228
Energy: 0.5798761833922603
Energy: 0.5813423400257259
Energy: 0.578600136748264
Energy: 0.578600086293078
Energy: 0.597786591662906
Energy: 0.552097068438331
Energy: 0.5520958355929103
Energy: 0.5516641839784192
Energy: 0.5666922859681416
Energy: 0.5666920157729697
Energy: 0.5542786524657121
Energy: 0.560443856904666
Energy: 0.560436600859254
Energy: 0.5598036513032821
Energy: 0.5596212242549361
Energy: 0.5596229799803673
Energy: 0.5599729994839647
Energy: 0.6385552412717008
Energy: 0.6385550010862137
   minimum gb energy = 0.5516641839784192 eV
   minimum distance = 2.57622945005232 Angstroms
   sigma value = 289

========================================
theta = 56.60151153201276
========================================

Energy: 0.5622296478515686
Energy: 0.5859443802626334
Energy: 0.5859431875129231
Energy: 0.5531102657337499
Energy: 0.5505483872894747
Energy: 0.5505490819719531
Energy: 0.5839038684252238
Energy: 0.5481606661170096
Energy: 0.5481604641812624
Energy: 0.5577786080459242
Energy: 0.5628026405084092
Energy: 0.5628098689907235
Energy: 0.5497876805009506
Energy: 0.6053023244837177
Energy: 0.6053022614478216
Energy: 0.5527932526066908
Energy: 0.5729437811754695
Energy: 0.5729440067708882
Energy: 0.5477036155858733
Energy: 0.5917178132196655
Energy: 0.5917173504527776
Energy: 0.555433582041975
Energy: 0.6485815839907173
Energy: 0.6485814915422553
Energy: 0.5650672462805546
Energy: 0.5568008092812962
Energy: 0.5568008082783383
Energy: 0.5642707790695616
Energy: 0.5521894381701921
Energy: 0.5521904860652683
   minimum gb energy = 0.5477036155858733 eV
   minimum distance = 2.51266846684915 Angstroms
   sigma value = 109

========================================
theta = 57.22091933193044
========================================

Energy: 0.5579196806646602
Energy: 0.5837916215529099
Energy: 0.5837915574549718
Energy: 0.5551978445061018
Energy: 0.5808747185024967
Energy: 0.5808746699745508
Energy: 0.5557209829904565
Energy: 0.5791996711336914
Energy: 0.5792013540301109
Energy: 0.5503934163930245
Energy: 0.5871659693880812
Energy: 0.5871659537211887
Energy: 0.5516540008784144
Energy: 0.5817301506469061
Energy: 0.5817300164757404
Energy: 0.6011255222583841
Energy: 0.5462753619011835
Energy: 0.5462753263154518
Energy: 0.5454703193456935
Energy: 0.5888676675691822
Energy: 0.5888674482029099
Energy: 0.5424508146620081
Energy: 0.6109307069453921
Energy: 0.6109306668592274
Energy: 0.5513009338017101
Energy: 0.5503937275946674
Energy: 0.5503935996019719
Energy: 0.5412311607011007
Energy: 0.5566290056897908
Energy: 0.5566291637859571
   minimum gb energy = 0.5412311607011007 eV
   minimum distance = 2.47134722838149 Angstroms
   sigma value = 157

========================================
theta = 58.10920819815429
========================================

Energy: 0.5521388041477118
Energy: 0.5804824402043274
Energy: 0.5804824286752801
Energy: 0.5506023782918112
Energy: 0.6148094618923248
Energy: 0.6148094305627192
Energy: 0.5358964233901208
Energy: 0.5937956708217323
Energy: 0.593796411677483
Energy: 0.5448175749383422
Energy: 0.5572247690114973
Energy: 0.5572274925820468
Energy: 0.6060508882179789
Energy: 0.5410117944566032
Energy: 0.5410122230580061
Energy: 0.6248772620436303
Energy: 0.5325842202242819
Energy: 0.532583561741313
Energy: 0.5701248231784443
Energy: 0.5358972443344315
Energy: 0.5358961320442029
Energy: 0.5321614442514601
Energy: 0.5645392123853242
Energy: 0.5645393017206128
Energy: 0.5448167859588838
Energy: 0.5422209160169084
Energy: 0.5422136892362662
Energy: 0.5377027269715673
Energy: 0.5962595968133008
Energy: 0.5962616577655798
   minimum gb energy = 0.5321614442514601 eV
   minimum distance = 2.53227203675169 Angstroms
   sigma value = 53

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

Energy: 0.5422813750342693
Energy: 0.588890089448178
Energy: 0.5888898866962021
Energy: 0.55974870441019
Energy: 0.5327139105754077
Energy: 0.5327136443157553
Energy: 0.5347807755045036
Energy: 0.5683424024758663
Energy: 0.5683418243552151
Energy: 0.5542368755850362
Energy: 0.5319784040222927
Energy: 0.5319784772397106
Energy: 0.5411553961466942
Energy: 0.595511787186248
Energy: 0.5955117672585618
Energy: 0.6190800597464965
Energy: 0.5506467375655774
Energy: 0.5506464810715257
Energy: 0.537514814901701
Energy: 0.595511832165821
Energy: 0.5955118114475406
Energy: 0.5472187089259923
Energy: 0.5642142281247372
Energy: 0.5642141838853384
Energy: 0.5319784610310924
Energy: 0.6243625446622352
Energy: 0.6243627408916703
Energy: 0.6016835439048286
Energy: 0.5297695365418944
Energy: 0.5297694743840432
   minimum gb energy = 0.5297694743840432 eV
   minimum distance = 2.52934281514696 Angstroms
   sigma value = 1

========================================
theta = 60.512874327058526
========================================

Energy: 0.5579044609911765
Energy: 0.5485714572329909
Energy: 0.548571135651712
Energy: 0.5365000849519116
Energy: 0.5429701978972135
Energy: 0.5429703937271753
Energy: 0.5290709757303705
Energy: 0.5372548212276339
Energy: 0.5372548165424069
Energy: 0.5359846062115537
Energy: 0.593477296984798
Energy: 0.5934774544047509
Energy: 0.5822734876723568
Energy: 0.560366903892796
Energy: 0.560367324945708
Energy: 0.5308017085104375
Energy: 0.6240009177619636
Energy: 0.623998758220227
Energy: 0.5895143978464695
Energy: 0.5726486635867333
Energy: 0.5726485658100583
Energy: 0.5220017216573336
Energy: 0.5948123232092132
Energy: 0.5948109733300805
Energy: 0.5221654877319035
Energy: 0.6496317349195059
Energy: 0.6496308045463278
Energy: 0.5465850728702524
Energy: 0.5449575491932259
Energy: 0.5449583958281357
   minimum gb energy = 0.5220017216573336 eV
   minimum distance = 2.48186708866416 Angstroms
   sigma value = 3

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

Energy: 0.5949468778994027
Energy: 0.5706524894612912
Energy: 0.570652824849975
Energy: 0.5116878318963762
Energy: 0.6085067486859221
Energy: 0.6085063699778934
Energy: 0.5026553856401639
Energy: 0.6133092382300266
Energy: 0.6133092653333656
Energy: 0.5102487791930922
Energy: 0.6122921912889627
Energy: 0.6123010963973995
Energy: 0.5345181803132678
Energy: 0.530943246973351
Energy: 0.5309432955441145
Energy: 0.6107957854643704
Energy: 0.5168793277098248
Energy: 0.5168791821461446
Energy: 0.5617336629115633
Energy: 0.5168793553639272
Energy: 0.5168791569737803
Energy: 0.5964490980381724
Energy: 0.5625526097882582
Energy: 0.5625525727865627
Energy: 0.5116878320542062
Energy: 0.6163274208536287
Energy: 0.6163274202541876
Energy: 0.5042552609679746
Energy: 0.6638849446214871
Energy: 0.6638847730903938
   minimum gb energy = 0.5026553856401639 eV
   minimum distance = 2.4795005902734 Angstroms
   sigma value = 17

========================================
theta = 63.2150044924978
========================================

Energy: 0.5398897185515003
Energy: 0.5318896642054394
Energy: 0.531889581236875
Energy: 0.5121874267695218
Energy: 0.5536262079381119
Energy: 0.5536238940734939
Energy: 0.5134197854460099
Energy: 0.6043510322585424
Energy: 0.6043526649552092
Energy: 0.5700492367789445
Energy: 0.5295941875669553
Energy: 0.5295915907549971
Energy: 0.5781704916458158
Energy: 0.5108332982897358
Energy: 0.5108333102374096
Energy: 0.5360352447451487
Energy: 0.5346914906968618
Energy: 0.5346911270079258
Energy: 0.5346911460012538
Energy: 0.5672776288523074
Energy: 0.5672772680907864
Energy: 0.5047063828271321
Energy: 0.60835939260274
Energy: 0.6083593832434875
Energy: 0.5125901671262814
Energy: 0.5958159337599803
Energy: 0.5958197684568614
Energy: 0.5062702333829034
Energy: 0.6423335528553016
Energy: 0.6423312592357389
   minimum gb energy = 0.5047063828271321 eV
   minimum distance = 2.48746251130103 Angstroms
   sigma value = 233

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

Energy: 0.5317007616936749
Energy: 0.5055666063627269
Energy: 0.5055665386115078
Energy: 0.5066089886325196
Energy: 0.5776609995746342
Energy: 0.5776609991423775
Energy: 0.5180296438743492
Energy: 0.516487280442844
Energy: 0.5164871806649404
Energy: 0.5295014406839141
Energy: 0.5071677918512999
Energy: 0.50716763406322
Energy: 0.5108629204071726
Energy: 0.5731312382733454
Energy: 0.5731312028487809
Energy: 0.5108745991131929
Energy: 0.5400616740788067
Energy: 0.5416314907212554
Energy: 0.5074990405163157
Energy: 0.5267905525568379
Energy: 0.5267905688646519
Energy: 0.5969015115049866
Energy: 0.5227706790628172
Energy: 0.522770678210244
Energy: 0.5039064541625012
Energy: 0.518029577631663
Energy: 0.5180295550662507
Energy: 0.5066089952714518
Energy: 0.5048808467300542
Energy: 0.5048816091628647
   minimum gb energy = 0.5039064541625012 eV
   minimum distance = 2.53464322748063 Angstroms
   sigma value = 89

========================================
theta = 64.94238458169698
========================================

Energy: 0.5481850647761914
Energy: 0.5184406044184005
Energy: 0.5184405187683955
Energy: 0.5406965169222329
Energy: 0.5405459109200568
Energy: 0.5405458275671138
Energy: 0.505421664398813
Energy: 0.6313285366270603
Energy: 0.6313174485787152
Energy: 0.5574928259795563
Energy: 0.5002424214883165
Energy: 0.5002420317211137
Energy: 0.4962663973525199
Energy: 0.680588523974067
Energy: 0.6805885416387151
Energy: 0.6285224177230668
Energy: 0.5430974601208269
Energy: 0.5430974938356438
Energy: 0.5009803074237076
Energy: 0.5778941244323178
Energy: 0.577894189590842
Energy: 0.5364248264240143
Energy: 0.557591721709439
Energy: 0.5575918335016191
Energy: 0.5008419246818949
Energy: 0.6274150696174964
Energy: 0.6274150818233272
Energy: 0.6343478241964443
Energy: 0.5575665592113281
Energy: 0.5575665568485655
   minimum gb energy = 0.4962663973525199 eV
   minimum distance = 2.41301529788657 Angstroms
   sigma value = 85

========================================
theta = 65.4704525442152
========================================

Energy: 0.5399441139782465
Energy: 0.6289453153970722
Energy: 0.6289453619421012
Energy: 0.49822447383124013
Energy: 0.6295405391101472
Energy: 0.6295415569763916
Energy: 0.49934554261883046
Energy: 0.5242943078709611
Energy: 0.5242946609715553
Energy: 0.5310101922466941
Energy: 0.5093516375456716
Energy: 0.5093516577443137
Energy: 0.4995814198877388
Energy: 0.4986002149400574
Energy: 0.4986009541595199
Energy: 0.5006671026069686
Energy: 0.6005671150404462
Energy: 0.6005662322274455
Energy: 0.5024765445254125
Energy: 0.5531886908284134
Energy: 0.5531883533293968
Energy: 0.49597402622550746
Energy: 0.5671056741293814
Energy: 0.5671054856227381
Energy: 0.516824714732452
Energy: 0.5344269259190553
Energy: 0.5344269020054805
Energy: 0.5880517987578652
Energy: 0.5525529012144983
Energy: 0.5525003347442824
   minimum gb energy = 0.49597402622550746 eV
   minimum distance = 2.45705318238004 Angstroms
   sigma value = 69

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

Energy: 0.46443889385287507
Energy: 0.4644388938623835
Energy: 0.4644388939289115
Energy: 0.47183852092025735
Energy: 0.49406961720485904
Energy: 0.4940696172062174
Energy: 0.46836429983229744
Energy: 0.47720860550824673
Energy: 0.47720859216029754
Energy: 0.4718385203961837
Energy: 0.4772085882228606
Energy: 0.47720860098017726
Energy: 0.4718385207342569
Energy: 0.4772085785869559
Energy: 0.4772085950998149
Energy: 0.6714553880006524
Energy: 0.47183852062972614
Energy: 0.4718385202861887
Energy: 0.47183853554721056
Energy: 0.4940696209182619
Energy: 0.4940696172021423
Energy: 0.46443889394385324
Energy: 0.5382341928337571
Energy: 0.5382336427858907
Energy: 0.4644388998540991
Energy: 0.47720858159028456
Energy: 0.4772085906178983
Energy: 0.4718385201314302
Energy: 0.4772085785489531
Energy: 0.4772086058286923
   minimum gb energy = 0.46443889385287507 eV
   minimum distance = 2.57505903218008 Angstroms
   sigma value = 13

========================================
theta = 69.39030706246794
========================================

Energy: 0.5533847173842185
Energy: 0.47997493127797786
Energy: 0.4799749092502747
Energy: 0.4689899334401848
Energy: 0.49994187906613036
Energy: 0.4999402612126747
Energy: 0.4756692537008765
Energy: 0.5387132838006787
Energy: 0.5387122168992592
Energy: 0.470011688284908
Energy: 0.5258141149073668
Energy: 0.525814189102294
Energy: 0.4673579248045531
Energy: 0.4731275487893227
Energy: 0.4731271378394486
Energy: 0.46560474890790476
Energy: 0.623684192191745
Energy: 0.6236839633949269
Energy: 0.46551224880245795
Energy: 0.5098850943602837
Energy: 0.509885095757566
Energy: 0.508306772501344
Energy: 0.5123461307064535
Energy: 0.512346145117066
Energy: 0.5558160830043228
Energy: 0.5489838133725988
Energy: 0.5489837747660896
Energy: 0.4758322600054393
Energy: 0.5083161148860328
Energy: 0.5083158860288417
   minimum gb energy = 0.46551224880245795 eV
   minimum distance = 2.42272633032516 Angstroms
   sigma value = 125

========================================
theta = 69.98404039711733
========================================

Energy: 0.48311039823166174
Energy: 0.6600792393574653
Energy: 0.6600801272066964
Energy: 0.47228210556764766
Energy: 0.4721024929295799
Energy: 0.4721026286258572
Energy: 0.46493690692596734
Energy: 0.4652183215845396
Energy: 0.4652182816193911
Energy: 0.45605411232735704
Energy: 0.5539564766451965
Energy: 0.553956508371222
Energy: 0.5838718872068047
Energy: 0.4594806760032706
Energy: 0.4594806756214866
Energy: 0.46493690071976124
Energy: 0.5377577440324622
Energy: 0.5377577336886578
Energy: 0.4608116994882567
Energy: 0.5097436578270231
Energy: 0.5097436686147834
Energy: 0.515211104320512
Energy: 0.4641823329214355
Energy: 0.46418223969444433
Energy: 0.46404696213136487
Energy: 0.49378646024526485
Energy: 0.49378646133891346
Energy: 0.45781999815110375
Energy: 0.5616683738532802
Energy: 0.5616685472576135
   minimum gb energy = 0.45605411232735704 eV
   minimum distance = 2.46799606137699 Angstroms
   sigma value = 37

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

Energy: 0.470501715848721
Energy: 0.4542872884157975
Energy: 0.4542872881073491
Energy: 0.45234924669996873
Energy: 0.5253921082706192
Energy: 0.5253920886078124
Energy: 0.4523489061397115
Energy: 0.46092730858302833
Energy: 0.46092730574162244
Energy: 0.4542872875274587
Energy: 0.46152708028068873
Energy: 0.4615272367250572
Energy: 0.5275204408451019
Energy: 0.5333579163755945
Energy: 0.5333578643190997
Energy: 0.4514156176008816
Energy: 0.4609273167134493
Energy: 0.4609272266094648
Energy: 0.45685671118101134
Energy: 0.4870287758800362
Energy: 0.4870288649727838
Energy: 0.5981295705253424
Energy: 0.5333578711725092
Energy: 0.5333579170300414
Energy: 0.4571373879612245
Energy: 0.4547041574041478
Energy: 0.4547040140184145
Energy: 0.45685688668215885
Energy: 0.662637384461831
Energy: 0.6626377422725584
   minimum gb energy = 0.4514156176008816 eV
   minimum distance = 2.42488593090692 Angstroms
   sigma value = 37

========================================
theta = 72.05474677020722
========================================

Energy: 0.5406249894086695
Energy: 0.4478016954206034
Energy: 0.44780168117042224
Energy: 0.44203969031937584
Energy: 0.450942245613996
Energy: 0.45094176034624067
Energy: 0.44159016445767274
Energy: 0.6244590352826701
Energy: 0.6244613245666847
Energy: 0.4428741933648121
Energy: 0.44893549808272964
Energy: 0.44893543927225754
Energy: 0.44197835875870334
Energy: 0.4903235616065167
Energy: 0.49032357426335677
Energy: 0.5345495338941669
Energy: 0.540559635237891
Energy: 0.5405599444823612
Energy: 0.4450217940597414
Energy: 0.5680530813525041
Energy: 0.5680525703190081
Energy: 0.6241400145662847
Energy: 0.4453395239370333
Energy: 0.4453395863373101
Energy: 0.4464459693017666
Energy: 0.5337328496543667
Energy: 0.5337321253263678
Energy: 0.44158955454449156
Energy: 0.5214094439014438
Energy: 0.5214098259380806
   minimum gb energy = 0.44158955454449156 eV
   minimum distance = 2.42802992099257 Angstroms
   sigma value = 185

========================================
theta = 72.50767547488958
========================================

Energy: 0.5199916089844386
Energy: 0.45498316119840154
Energy: 0.45498254271968813
Energy: 0.4457689770647355
Energy: 0.5153041772950965
Energy: 0.5153036679001977
Energy: 0.5117401562037557
Energy: 0.5145512729944679
Energy: 0.5145507333056131
Energy: 0.4471713203837894
Energy: 0.5381431937279876
Energy: 0.5381429911091972
Energy: 0.476303074334747
Energy: 0.4761480235211216
Energy: 0.4761507549846029
Energy: 0.44428854447827476
Energy: 0.6474844759603207
Energy: 0.6474845130019156
Energy: 0.44469870447343435
Energy: 0.5875799020048543
Energy: 0.5875798866625831
Energy: 0.5612684409941224
Energy: 0.48034303692580754
Energy: 0.48034351242960865
Energy: 0.446357912633027
Energy: 0.5465844964593275
Energy: 0.5465844672425847
Energy: 0.5117394187822986
Energy: 0.5499174122216782
Energy: 0.5499171512912366
   minimum gb energy = 0.44428854447827476 eV
   minimum distance = 2.4154839457975 Angstroms
   sigma value = 173

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

Energy: 0.49446786915965907
Energy: 0.4429876999239251
Energy: 0.45069730937661345
Energy: 0.4765103370217651
Energy: 0.7001745896807561
Energy: 0.7001717808843645
Energy: 0.4229526191971891
Energy: 0.6603639053394079
Energy: 0.6603639059415427
Energy: 0.41846519205158084
Energy: 0.5797431745469729
Energy: 0.5797433225144607
Energy: 0.42283547687052875
Energy: 0.48776951708428623
Energy: 0.48776977788786835
Energy: 0.4229526179782265
Energy: 0.4294445744764561
Energy: 0.4294446196923405
Energy: 0.4765103003326748
Energy: 0.4722920262317429
Energy: 0.4722919452216223
Energy: 0.4944681081757656
Energy: 0.546473137912108
Energy: 0.5464731647859183
Energy: 0.4765103240871288
Energy: 0.5797421340750208
Energy: 0.5797419974139475
Energy: 0.4229526186097468
Energy: 0.4868153960125445
Energy: 0.4868154856160439
   minimum gb energy = 0.41846519205158084 eV
   minimum distance = 2.45419241908268 Angstroms
   sigma value = 25

========================================
theta = 75.13718405765499
========================================

Energy: 0.49679924965104055
Energy: 0.42256077222995503
Energy: 0.4225608070133645
Energy: 0.41509352035165503
Energy: 0.5313102035384463
Energy: 0.531309372347038
Energy: 0.4507407022355851
Energy: 0.4557134538108668
Energy: 0.4557133951891844
Energy: 0.4121708501051261
Energy: 0.5280689871790362
Energy: 0.5280692922483221
Energy: 0.41863616645548757
Energy: 0.45071479103808215
Energy: 0.4507147781524925
Energy: 0.42613361232610864
Energy: 0.47844394400936535
Energy: 0.4784439423686088
Energy: 0.4142648966697018
Energy: 0.4903829178548394
Energy: 0.49038291810018864
Energy: 0.6330667569164001
Energy: 0.45123796989335374
Energy: 0.4512379698223387
Energy: 0.414841967032616
Energy: 0.6098774494460603
Energy: 0.609877437352033
Energy: 0.41518393095407696
Energy: 0.4980844657743535
Energy: 0.49808449222994816
   minimum gb energy = 0.4121708501051261 eV
   minimum distance = 2.39805003151605 Angstroms
   sigma value = 269

========================================
theta = 75.74996730219641
========================================

Energy: 0.5114142674843564
Energy: 0.41191407677812014
Energy: 0.41191414204011484
Energy: 0.40120219604123053
Energy: 0.51748854346237
Energy: 0.5174873223669605
Energy: 0.41188529050057987
Energy: 0.5024599902359076
Energy: 0.5024599779142837
Energy: 0.40917662170447017
Energy: 0.5588600279301877
Energy: 0.5588600280632884
Energy: 0.40917669851312943
Energy: 0.4750108414754578
Energy: 0.4750105006261924
Energy: 0.403351619816405
Energy: 0.5177242192346241
Energy: 0.5177239665710703
Energy: 0.4463394812088041
Energy: 0.4022820710659504
Energy: 0.4022820574300523
Energy: 0.5114136660907354
Energy: 0.5588600280409716
Energy: 0.5588600254227521
Energy: 0.4012021960863133
Energy: 0.5167938779056241
Energy: 0.5167937724422258
Energy: 0.4033516198434664
Energy: 0.5715424796613677
Energy: 0.5715424013628478
   minimum gb energy = 0.40120219604123053 eV
   minimum distance = 2.43485516130579 Angstroms
   sigma value = 65

========================================
theta = 76.31445317473812
========================================

Energy: 0.5361083342626624
Energy: 0.6485930752454871
Energy: 0.6485938086821452
Energy: 0.4058833474960728
Energy: 0.46984718412857823
Energy: 0.4698472495976665
Energy: 0.40617521361633235
Energy: 0.5689020572939286
Energy: 0.5689015995179502
Energy: 0.43488526133590366
Energy: 0.40215086961557034
Energy: 0.4021509031166995
Energy: 0.4047199093578821
Energy: 0.60146248043554
Energy: 0.6014552688931634
Energy: 0.49748730749346864
Energy: 0.4348661995970323
Energy: 0.43486611144868015
Energy: 0.40372942733510353
Energy: 0.4935985200433747
Energy: 0.4935992633423349
Energy: 0.6001033804580322
Energy: 0.434866217157994
Energy: 0.4348660352233948
Energy: 0.4037296571064097
Energy: 0.4679451828550263
Energy: 0.4679461248558298
Energy: 0.4640373606791125
Energy: 0.4342827474108966
Energy: 0.43428285033964864
   minimum gb energy = 0.40215086961557034 eV
   minimum distance = 2.43688772117665 Angstroms
   sigma value = 79

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

Energy: 0.404291175227605
Energy: 0.3864526389778101
Energy: 0.3864526456705196
Energy: 0.3844473509723414
Energy: 0.561355554320804
Energy: 0.5613555005129524
Energy: 0.49469576898727946
Energy: 0.38645265632353354
Energy: 0.38645263998699064
Energy: 0.38645264340214924
Energy: 0.584014091632645
Energy: 0.5840140984599373
Energy: 0.38645268369615277
Energy: 0.5011572059324768
Energy: 0.5011576169701889
Energy: 0.38112362492621993
Energy: 0.5740562748338617
Energy: 0.5740562706916217
Energy: 0.3844473516550602
Energy: 0.38645264117278744
Energy: 0.38645265176082194
Energy: 0.40429274505809515
Energy: 0.599404473220986
Energy: 0.5994029146107674
Energy: 0.38444734722842644
Energy: 0.41775633113988947
Energy: 0.41775631064577434
Energy: 0.37895172496960483
Energy: 0.47063657947849946
Energy: 0.47063656465647496
   minimum gb energy = 0.37895172496960483 eV
   minimum distance = 2.44442083342621 Angstroms
   sigma value = 41

========================================
theta = 78.57881372500071
========================================

Energy: 0.4634434903070903
Energy: 0.37782244269716186
Energy: 0.37782239576693966
Energy: 0.3661768965295855
Energy: 0.4665133210828854
Energy: 0.46651343505994286
Energy: 0.3699811280544625
Energy: 0.45416495395514694
Energy: 0.45416558014457115
Energy: 0.5346049142495567
Energy: 0.4149559168914834
Energy: 0.414955855042918
Energy: 0.4474011223348832
Energy: 0.49174485164235315
Energy: 0.4917447333133135
Energy: 0.3739823514172799
Energy: 0.49967087674397215
Energy: 0.4996707536795755
Energy: 0.37313698531962375
Energy: 0.5455881047897151
Energy: 0.5455879773051068
Energy: 0.5307157276980642
Energy: 0.45683902927110653
Energy: 0.45683901739034494
Energy: 0.4052092257556209
Energy: 0.3692006540983189
Energy: 0.3692004327302413
Energy: 0.3678296481457002
Energy: 0.5256035376072473
Energy: 0.5256035405408248
   minimum gb energy = 0.3661768965295855 eV
   minimum distance = 2.43342752711353 Angstroms
   sigma value = 101

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

Energy: 0.4955458613789933
Energy: 0.5828062304746335
Energy: 0.5828062206051698
Energy: 0.43830599925320274
Energy: 0.35649934294745467
Energy: 0.3564993354716903
Energy: 0.35326532978568104
Energy: 0.5468291581244239
Energy: 0.5468294274676798
Energy: 0.35272181906295186
Energy: 0.3623240412985636
Energy: 0.3623243635819387
Energy: 0.3532653190361809
Energy: 0.4801197185250971
Energy: 0.48011972201631253
Energy: 0.35326538745681973
Energy: 0.4288914394191157
Energy: 0.4288912316412778
Energy: 0.35210930171271115
Energy: 0.428891517074908
Energy: 0.42889124113216187
Energy: 0.49554586368934916
Energy: 0.5468291406231409
Energy: 0.5468291352985422
Energy: 0.49009885500853734
Energy: 0.4288912140077114
Energy: 0.4288912145818515
Energy: 0.35326532162985874
Energy: 0.5961933647887653
Energy: 0.5961933666384239
   minimum gb energy = 0.35210930171271115 eV
   minimum distance = 2.58198587964529 Angstroms
   sigma value = 15

========================================
theta = 80.47271661854764
========================================

Energy: 0.4984823024472272
Energy: 0.5666759898421536
Energy: 0.5666770072977081
Energy: 0.41709682298984013
Energy: 0.429355355521236
Energy: 0.4293553677331493
Energy: 0.3420320387878723
Energy: 0.4936246659854112
Energy: 0.4936244719292945
Energy: 0.3638415651718427
Energy: 0.4638206303521325
Energy: 0.46382008679357883
Energy: 0.514328557523415
Energy: 0.3746829019492471
Energy: 0.3746829025718917
Energy: 0.3437742655336047
Energy: 0.5621849687493436
Energy: 0.562183650359933
Energy: 0.33904998584278806
Energy: 0.486003206617771
Energy: 0.4860025181313949
Energy: 0.5634802852368549
Energy: 0.4427184379453608
Energy: 0.4427184272550116
Energy: 0.3442366602939432
Energy: 0.522350793718076
Energy: 0.5223533176740063
Energy: 0.3401550396461061
Energy: 0.4752315031864138
Energy: 0.4752321938589876
   minimum gb energy = 0.33904998584278806 eV
   minimum distance = 2.44656939273539 Angstroms
   sigma value = 145

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

Energy: 0.4527422727222658
Energy: 0.536051493490944
Energy: 0.536051453613748
Energy: 0.3327504875824797
Energy: 0.4464884442295275
Energy: 0.44648655737563553
Energy: 0.3277438777335976
Energy: 0.45639262813993414
Energy: 0.45639262063929653
Energy: 0.32818061423176664
Energy: 0.4450062863585397
Energy: 0.4450062878574889
Energy: 0.3277440443708299
Energy: 0.4450062885775293
Energy: 0.445006306572453
Energy: 0.3277438695793218
Energy: 0.44648841038903175
Energy: 0.4464863603317901
Energy: 0.3327504986242574
Energy: 0.5373536453318617
Energy: 0.5373559489309555
Energy: 0.4527424906119312
Energy: 0.4518657483309379
Energy: 0.4518657719569538
Energy: 0.40364706193377076
Energy: 0.44843832265867317
Energy: 0.4484383461890701
Energy: 0.35703668063853833
Energy: 0.3270218840233612
Energy: 0.3270218117148912
   minimum gb energy = 0.3270218117148912 eV
   minimum distance = 2.55590869997728 Angstroms
   sigma value = 85

========================================
theta = 81.82876644005026
========================================

Energy: 0.4947470057984271
Energy: 0.5277792082487522
Energy: 0.5277791809471453
Energy: 0.31894495080761154
Energy: 0.5635850448416303
Energy: 0.5635849428589262
Energy: 0.3193722660696053
Energy: 0.5255111986821133
Energy: 0.525511454559918
Energy: 0.3758021059397838
Energy: 0.5290073695425711
Energy: 0.5290074589374121
Energy: 0.3758021021195417
Energy: 0.3561075262195718
Energy: 0.35610746389202796
Energy: 0.3182320825740853
Energy: 0.43149694790616216
Energy: 0.4314969488310199
Energy: 0.31726595782430417
Energy: 0.40569145249478517
Energy: 0.4056914784449048
Energy: 0.5550462950897462
Energy: 0.4298191938753714
Energy: 0.42981914130930277
Energy: 0.39030760395820224
Energy: 0.43871090147388436
Energy: 0.43871062687215134
Energy: 0.31850907306406306
Energy: 0.43149700193470475
Energy: 0.4314969488704978
   minimum gb energy = 0.31726595782430417 eV
   minimum distance = 2.45660887985409 Angstroms
   sigma value = 197

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

Energy: 0.4225174313641434
Energy: 0.5075551644027703
Energy: 0.5075551114889448
Energy: 0.31590900834617297
Energy: 0.5018721423472033
Energy: 0.5018721721709818
Energy: 0.29516573768941157
Energy: 0.4714749859097113
Energy: 0.4714749859157007
Energy: 0.296050662143021
Energy: 0.40648251552237763
Energy: 0.4064803467825384
Energy: 0.3706201947816442
Energy: 0.4064803885876892
Energy: 0.406480254781067
Energy: 0.2951659284758023
Energy: 0.36113472431884763
Energy: 0.36113470921652185
Energy: 0.39676607037663075
Energy: 0.5017734729486537
Energy: 0.5017753362692358
Energy: 0.4225180967586756
Energy: 0.42207108160729895
Energy: 0.422071079473261
Energy: 0.3159089964628933
Energy: 0.4898545068688526
Energy: 0.4898545069020248
Energy: 0.3031243538488539
Energy: 0.5018721428077193
Energy: 0.5018721720659993
   minimum gb energy = 0.29516573768941157 eV
   minimum distance = 2.55478620142994 Angstroms
   sigma value = 113

========================================
theta = 83.2670786731404
========================================

Energy: 0.4345004850735285
Energy: 0.47714388271701447
Energy: 0.4771439358157699
Energy: 0.46485128785744734
Energy: 0.3310975768956499
Energy: 0.3310972424070286
Energy: 0.2820997409648921
Energy: 0.38634544056694387
Energy: 0.38634569407949493
Energy: 0.28209896387335176
Energy: 0.4732090136088687
Energy: 0.4732074896797255
Energy: 0.27764342480287935
Energy: 0.3825055262148357
Energy: 0.3825055324162137
Energy: 0.2868070803818167
Energy: 0.47067561195745455
Energy: 0.47067551214429104
Energy: 0.422077587902377
Energy: 0.3767156586117196
Energy: 0.376715658674743
Energy: 0.474856533774688
Energy: 0.47501421226614293
Energy: 0.4750142402150222
Energy: 0.37172865371194436
Energy: 0.4827113683138086
Energy: 0.48271136928258274
Energy: 0.3363785601996039
Energy: 0.3797534654674977
Energy: 0.3797534855579408
   minimum gb energy = 0.27764342480287935 eV
   minimum distance = 2.4632558795233 Angstroms
   sigma value = 145

========================================
theta = 83.97442499163331
========================================

Energy: 0.4683224981727864
Energy: 0.4557247068185949
Energy: 0.45572465477684476
Energy: 0.39212746114456665
Energy: 0.4247675592908418
Energy: 0.42476760262804053
Energy: 0.28460748453997026
Energy: 0.33406748218284443
Energy: 0.3340674886193642
Energy: 0.2713664393361948
Energy: 0.44869698685048276
Energy: 0.4486981126886348
Energy: 0.2651406332844479
Energy: 0.44733701999569486
Energy: 0.4473351243322489
Energy: 0.33493967261364344
Energy: 0.3588773873551716
Energy: 0.3588773687951255
Energy: 0.3008825326702448
Energy: 0.448695240244466
Energy: 0.44869518108826545
Energy: 0.4683186980911062
Energy: 0.44118066489050084
Energy: 0.4411591591724941
Energy: 0.4972698550785212
Energy: 0.30762555864208846
Energy: 0.30762561063399907
Energy: 0.2735393957398197
Energy: 0.46020407412423064
Energy: 0.460203912910876
   minimum gb energy = 0.2651406332844479 eV
   minimum distance = 2.58066438198778 Angstroms
   sigma value = 181

========================================
theta = 84.54737801218748
========================================

Energy: 0.4181007811599502
Energy: 0.4297287393172601
Energy: 0.42972896047281217
Energy: 0.3275395456765682
Energy: 0.4839774813663159
Energy: 0.4839769453359734
Energy: 0.2555103980263942
Energy: 0.46981547054627854
Energy: 0.4698111559271356
Energy: 0.25551039764771016
Energy: 0.42711275634746776
Energy: 0.4271124547079002
Energy: 0.2555107900029501
Energy: 0.4278185050563137
Energy: 0.4278184916946133
Energy: 0.25551039034118067
Energy: 0.43664490606329276
Energy: 0.43664538787233426
Energy: 0.3275395796999095
Energy: 0.4278186213277079
Energy: 0.4278189815530866
Energy: 0.4552706458150702
Energy: 0.3827898210785626
Energy: 0.38278815089560225
Energy: 0.32753967458023775
Energy: 0.41347440927227924
Energy: 0.4134730885116901
Energy: 0.25074473058472313
Energy: 0.3707335480965446
Energy: 0.3707337732623019
   minimum gb energy = 0.25074473058472313 eV
   minimum distance = 2.47451426087714 Angstroms
   sigma value = 55

========================================
theta = 85.02089415600169
========================================

Energy: 0.41645945945675705
Energy: 0.4129443166813973
Energy: 0.4129441792026012
Energy: 0.33220018632711984
Energy: 0.3970138756802523
Energy: 0.3970138703583593
Energy: 0.3524305947273404
Energy: 0.26380244803324804
Energy: 0.26380279071977314
Energy: 0.23918637807288817
Energy: 0.39397385694800247
Energy: 0.39397384985666695
Energy: 0.24750962938205093
Energy: 0.40740265988403723
Energy: 0.40740023432314487
Energy: 0.2435947696118072
Energy: 0.38573982914799343
Energy: 0.3857399501589273
Energy: 0.44940755857744463
Energy: 0.24455378140237735
Energy: 0.24455411912065175
Energy: 0.48186827003990046
Energy: 0.3994093359003572
Energy: 0.39941382556273397
Energy: 0.3321995329698864
Energy: 0.40221844967531384
Energy: 0.402219761066338
Energy: 0.25853768709972885
Energy: 0.4086907696863259
Energy: 0.40868689649191176
   minimum gb energy = 0.23918637807288817 eV
   minimum distance = 2.57466052621002 Angstroms
   sigma value = 265

========================================
theta = 85.41877991472295
========================================

Energy: 0.43719134980071833
Energy: 0.3914239678371688
Energy: 0.3914206860923326
Energy: 0.461677970396851
Energy: 0.2931156500012618
Energy: 0.29311562512192235
Energy: 0.23528331109980805
Energy: 0.38875263658841036
Energy: 0.3887527255406229
Energy: 0.22804285668272772
Energy: 0.35913615433800883
Energy: 0.35913601446081816
Energy: 0.2352834929619095
Energy: 0.3894708888686601
Energy: 0.3894712764014338
Energy: 0.23121536224778927
Energy: 0.3689765594873181
Energy: 0.3689762287207832
Energy: 0.29546545220605797
Energy: 0.3899939544316285
Energy: 0.3899946768435866
Energy: 0.439638052414692
Energy: 0.383681113272083
Energy: 0.38367871810055587
Energy: 0.3592912447584081
Energy: 0.39219902180561156
Energy: 0.3921993022130037
Energy: 0.2330219883211893
Energy: 0.3836806191782028
Energy: 0.38368060476384724
   minimum gb energy = 0.22804285668272772 eV
   minimum distance = 2.57195856636718 Angstroms
   sigma value = 39

========================================
theta = 85.7578072066771
========================================

Energy: 0.4159519424779643
Energy: 0.3765160539669758
Energy: 0.37651596815676347
Energy: 0.2849514267193184
Energy: 0.37037950212549026
Energy: 0.3703806440959096
Energy: 0.25846916575118595
Energy: 0.3624561976269445
Energy: 0.36245549817649814
Energy: 0.2198395578006786
Energy: 0.3571123608197611
Energy: 0.35711307797799774
Energy: 0.2219999674796478
Energy: 0.37347523125779225
Energy: 0.3734731405763335
Energy: 0.22500182259116625
Energy: 0.4138151377544679
Energy: 0.4138192739873162
Energy: 0.28495075472004866
Energy: 0.3734492042986982
Energy: 0.373448679509931
Energy: 0.47037649204342724
Energy: 0.3624495036223128
Energy: 0.3624566424276951
Energy: 0.43748533569198755
Energy: 0.27854300786955827
Energy: 0.27854266597133504
Energy: 0.27457931830959953
Energy: 0.3480020679492055
Energy: 0.3480020885416896
   minimum gb energy = 0.2198395578006786 eV
   minimum distance = 2.51533061592107 Angstroms
   sigma value = 91

========================================
theta = 86.05013197823605
========================================

Energy: 0.39748454786623155
Energy: 0.361490136809761
Energy: 0.36149026117580085
Energy: 0.2757089517043056
Energy: 0.3612945249065531
Energy: 0.3612978496858579
Energy: 0.21609726975868107
Energy: 0.3624412260683176
Energy: 0.36244189180815156
Energy: 0.21385834013825455
Energy: 0.35477242708271123
Energy: 0.3547714017487679
Energy: 0.21242406336994113
Energy: 0.3437765710029972
Energy: 0.3437780919831246
Energy: 0.31728190810218937
Energy: 0.2675253147904745
Energy: 0.2675249142881905
Energy: 0.38378073591698786
Energy: 0.2711747613491801
Energy: 0.27117472431803613
Energy: 0.4487014215377126
Energy: 0.3568586378931743
Energy: 0.3568596915212176
Energy: 0.3261225709127716
Energy: 0.3626729948772759
Energy: 0.3626692384529341
Energy: 0.2195091754124181
Energy: 0.39395720302624027
Energy: 0.3939596978507306
   minimum gb energy = 0.21242406336994113 eV
   minimum distance = 2.58646973896727 Angstroms
   sigma value = 105

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

Energy: 0.01188640255052482
Energy: 0.011886402561957018
Energy: 0.011886402549147445
Energy: 0.011886402562645707
Energy: 0.173962847214386
Energy: 0.1739628472147402
Energy: 0.011886402557805221
Energy: 0.1739628472199152
Energy: 0.1739628472185378
Energy: 0.011886402562291525
Energy: 0.17396284721576338
Energy: 0.1739628472109229
Energy: 0.011886402562645707
Energy: 0.17396284721542887
Energy: 0.17396284721300864
Energy: 0.011886402546038519
Energy: 0.17396284721300864
Energy: 0.17396284721403182
Energy: 0.01188640254048967
Energy: 0.1739628472095455
Energy: 0.17396284721647176
Energy: 0.011886402542221224
Energy: 0.011886402550879001
Energy: 0.011886402549836132
Energy: 0.011886402539800982
Energy: 0.17396284721403182
Energy: 0.17396284721230026
Energy: 0.011886402561268331
Energy: 0.1739628472147402
Energy: 0.17396284721576338
   minimum gb energy = 0.011886402539800982 eV
   minimum distance = 2.84225765652496 Angstroms
   sigma value = 1