model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_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=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538


Isolated atom energy: -0.0307342631051472 eV

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

Energy: 0.008138444484840569
Energy: 0.008138444490279883
Energy: 0.008138444485824424
Energy: 0.008138444487314262
Energy: 0.19264166295535992
Energy: 0.19264166295634377
Energy: 0.008138444488790045
Energy: 0.1926416629573417
Energy: 0.1926416629543761
Energy: 0.008138444489787955
Energy: 0.19264166295337817
Energy: 0.19264166295585186
Energy: 0.008138444488790045
Energy: 0.008138444488790045
Energy: 0.008138444489787955
Energy: 0.38459087325854874
Energy: 0.008138444493245503
Energy: 0.008138444491263736
Energy: 0.008138444490279883
Energy: 0.008138444498684817
Energy: 0.008138444486316352
Energy: 0.00813844448780619
Energy: 0.19264166295387009
Energy: 0.19264166295288626
Energy: 0.008138444490771808
Energy: 0.19264166295387009
Energy: 0.19264166295585186
Energy: 0.008138444488298117
Energy: 0.192641662954868
Energy: 0.1926416629543761
   minimum gb energy = 0.008138444484840569 eV
   minimum distance = 2.74485134990309 Angstroms
   sigma value = 1

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

Energy: 0.3986438749661146
Energy: 0.325999684804251
Energy: 0.3259996851526133
Energy: 0.35605900887777253
Energy: 0.32593810292992437
Energy: 0.32593812417840473
Energy: 0.35908740259378646
Energy: 0.3295558575703528
Energy: 0.3295566550922713
Energy: 0.3648551019333778
Energy: 0.3164495137995783
Energy: 0.31644949070963074
Energy: 0.37112602415966717
Energy: 0.32593810906252363
Energy: 0.32593810567831805
Energy: 0.345857550729156
Energy: 0.33350074412867553
Energy: 0.33350074415596054
Energy: 0.35053268244825103
Energy: 0.32593811935503586
Energy: 0.32593812093496205
Energy: 0.35053267831993135
Energy: 0.32105357532564066
Energy: 0.32105357531313505
Energy: 0.3697925646032918
Energy: 0.32004773272884746
Energy: 0.32004852393495037
Energy: 0.35908740538720635
Energy: 0.33350074564643273
Energy: 0.3335007445737319
   minimum gb energy = 0.31644949070963074 eV
   minimum distance = 2.67726724720915 Angstroms
   sigma value = 113

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

Energy: 0.4049031546376587
Energy: 0.3396762198289099
Energy: 0.33967604898966114
Energy: 0.36553055944311824
Energy: 0.3434469386705038
Energy: 0.3434467212620186
Energy: 0.3424084250313975
Energy: 0.33961485842752115
Energy: 0.3396164347817997
Energy: 0.3469394512269573
Energy: 0.3434467369259159
Energy: 0.34344738210053316
Energy: 0.3420041653117019
Energy: 0.33961485488519066
Energy: 0.3396164636510319
Energy: 0.3898165698765299
Energy: 0.3530702273306879
Energy: 0.3530757674180693
Energy: 0.350960655056738
Energy: 0.3396153076604258
Energy: 0.33961477126597195
Energy: 0.3382745300666173
Energy: 0.3530778665443147
Energy: 0.3530712992990067
Energy: 0.3604967247564936
Energy: 0.3396149951735416
Energy: 0.33961482706308416
Energy: 0.3445145265843577
Energy: 0.3513591354769135
Energy: 0.3513591323136825
   minimum gb energy = 0.3382745300666173 eV
   minimum distance = 2.67286368321911 Angstroms
   sigma value = 197

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

Energy: 0.4107568022464728
Energy: 0.34766451538335
Energy: 0.3476645153621183
Energy: 0.3596326465569609
Energy: 0.35942208963380734
Energy: 0.35942185953984335
Energy: 0.38380872110871295
Energy: 0.3467438084278192
Energy: 0.3467438089845889
Energy: 0.3721602047738147
Energy: 0.3629560981963019
Energy: 0.36296018913271466
Energy: 0.3799273768602723
Energy: 0.3600487199998895
Energy: 0.36004874511877416
Energy: 0.3650734800556675
Energy: 0.35599819461087256
Energy: 0.355998213761036
Energy: 0.35888425786952566
Energy: 0.3683501881194557
Energy: 0.36834956335908514
Energy: 0.38529521238240794
Energy: 0.383557609000137
Energy: 0.38354615892639377
Energy: 0.41398315986197004
Energy: 0.3600487416244798
Energy: 0.3600487122171006
Energy: 0.3536680874989424
Energy: 0.355998201049125
Energy: 0.35599819552151124
   minimum gb energy = 0.3467438084278192 eV
   minimum distance = 2.66951683372601 Angstroms
   sigma value = 169

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

Energy: 0.4181258055837759
Energy: 0.36347978314013785
Energy: 0.3634792349822411
Energy: 0.38536574448233324
Energy: 0.35686870746948274
Energy: 0.3568686161882044
Energy: 0.40297651527352935
Energy: 0.3735008306957938
Energy: 0.3735009254903937
Energy: 0.36869359264421897
Energy: 0.3754651769125631
Energy: 0.3754634613513596
Energy: 0.39353687161698103
Energy: 0.36949476040575546
Energy: 0.3694929849861057
Energy: 0.4003472054512602
Energy: 0.37312708052244753
Energy: 0.3731270827795147
Energy: 0.3935360869300657
Energy: 0.3694933814474159
Energy: 0.36949339971959794
Energy: 0.35804786364978514
Energy: 0.3754725820262052
Energy: 0.37546031482589426
Energy: 0.39636791072586586
Energy: 0.3528850566426082
Energy: 0.3528850566651867
Energy: 0.38589219481028947
Energy: 0.36949151146559983
Energy: 0.3694926981333108
   minimum gb energy = 0.3528850566426082 eV
   minimum distance = 2.66384331837414 Angstroms
   sigma value = 145

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

Energy: 0.4242654556132275
Energy: 0.3827439263599549
Energy: 0.38274390347806164
Energy: 0.405169487806674
Energy: 0.4004720491011323
Energy: 0.40047204910561146
Energy: 0.38761507600790585
Energy: 0.3804038395847516
Energy: 0.38040461716783075
Energy: 0.37154089932758655
Energy: 0.40367767370193725
Energy: 0.40366245165581455
Energy: 0.4143062134348037
Energy: 0.394763628484402
Energy: 0.3947634319812317
Energy: 0.38630109066650825
Energy: 0.38274377869369725
Energy: 0.38274371987136907
Energy: 0.4143063138763992
Energy: 0.38040489804359623
Energy: 0.3804044974860762
Energy: 0.3896677941316531
Energy: 0.38060214775803
Energy: 0.38060203461874953
Energy: 0.3851412778542537
Energy: 0.3804048319132049
Energy: 0.3804051690955825
Energy: 0.4143064162897381
Energy: 0.38370581327214315
Energy: 0.3836975273468487
   minimum gb energy = 0.37154089932758655 eV
   minimum distance = 2.54250249081006 Angstroms
   sigma value = 61

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

Energy: 0.42674658530670695
Energy: 0.39213195757877956
Energy: 0.39213208831348656
Energy: 0.40176776148238424
Energy: 0.3921253745672985
Energy: 0.3921295238070431
Energy: 0.4089627137753178
Energy: 0.4139687326641863
Energy: 0.4139687555796371
Energy: 0.40004760924252436
Energy: 0.3843101603707274
Energy: 0.38431002149334165
Energy: 0.4098496419589253
Energy: 0.401391895748448
Energy: 0.4014085139434526
Energy: 0.41161487960550597
Energy: 0.4120322139770146
Energy: 0.4120324627368829
Energy: 0.38552193095505166
Energy: 0.4100689146476745
Energy: 0.41006892215658314
Energy: 0.40524715193423844
Energy: 0.39808215655629436
Energy: 0.39808203638916384
Energy: 0.40896372573790146
Energy: 0.42288147754596406
Energy: 0.4228808476485025
Energy: 0.40984955875519774
Energy: 0.4046496226390594
Energy: 0.4046987044015163
   minimum gb energy = 0.38431002149334165 eV
   minimum distance = 2.52769757311862 Angstroms
   sigma value = 101

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

Energy: 0.4392348656570435
Energy: 0.4112190940069029
Energy: 0.4112189920988424
Energy: 0.4076733060924291
Energy: 0.42060513183480996
Energy: 0.420600830281565
Energy: 0.40376712171639156
Energy: 0.420603387498585
Energy: 0.42060068440933046
Energy: 0.4279235103907963
Energy: 0.42060315663933806
Energy: 0.4206030045868472
Energy: 0.417842506721928
Energy: 0.42060277464613427
Energy: 0.42060427123211347
Energy: 0.4160379347649669
Energy: 0.42060240374159646
Energy: 0.42060061622649725
Energy: 0.45600213044696686
Energy: 0.41121912555975376
Energy: 0.4112191093721026
Energy: 0.4037671216743228
Energy: 0.41121927439132827
Energy: 0.41121947714691454
Energy: 0.407673306844948
Energy: 0.41121923390967163
Energy: 0.4112190673395148
Energy: 0.4392348658694733
Energy: 0.4112193421498234
Energy: 0.41121916925358515
   minimum gb energy = 0.4037671216743228 eV
   minimum distance = 2.64177853008687 Angstroms
   sigma value = 81

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

Energy: 0.43672332727812674
Energy: 0.4296572024249195
Energy: 0.4296643931699045
Energy: 0.42158023274051093
Energy: 0.4199627794966288
Energy: 0.41996272509146326
Energy: 0.45108363811043706
Energy: 0.4263114510894203
Energy: 0.42631145116425745
Energy: 0.456342147842148
Energy: 0.42965763639033144
Energy: 0.4296641766558162
Energy: 0.4262632875798486
Energy: 0.42641616102562063
Energy: 0.4264161621867535
Energy: 0.42626325798387255
Energy: 0.4264161609317883
Energy: 0.426416160834274
Energy: 0.4896072043922706
Energy: 0.42641616134212323
Energy: 0.4264161608526556
Energy: 0.4251960532964121
Energy: 0.42631145122682157
Energy: 0.42631145137342763
Energy: 0.4215801891939245
Energy: 0.42286214418014256
Energy: 0.42286203342544076
Energy: 0.4367233275038375
Energy: 0.4259721742724083
Energy: 0.425972193905926
   minimum gb energy = 0.41996272509146326 eV
   minimum distance = 2.50311897997232 Angstroms
   sigma value = 1

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

Energy: 0.47248696849622357
Energy: 0.4395732911622977
Energy: 0.43957284238792166
Energy: 0.45161172387548043
Energy: 0.45464779462022753
Energy: 0.45464789018852636
Energy: 0.43803013358203774
Energy: 0.4374677075830713
Energy: 0.4374677074621658
Energy: 0.46636219727309025
Energy: 0.43754565001767254
Energy: 0.437545719390717
Energy: 0.45007423752142506
Energy: 0.45954351641832664
Energy: 0.4595435849590308
Energy: 0.45906662257104097
Energy: 0.43089395292192717
Energy: 0.4308943669908486
Energy: 0.4608343449384008
Energy: 0.4368509130897532
Energy: 0.43685092177251433
Energy: 0.44886493085294843
Energy: 0.4543738079785623
Energy: 0.4543805277325879
Energy: 0.43935404777108106
Energy: 0.4491560399879672
Energy: 0.4491554432975821
Energy: 0.44402909871501683
Energy: 0.4493355851876543
Energy: 0.44932382341118177
   minimum gb energy = 0.43089395292192717 eV
   minimum distance = 2.5080455137011 Angstroms
   sigma value = 229

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

Energy: 0.4511216437206002
Energy: 0.45220167020364765
Energy: 0.451749826653926
Energy: 0.4485493162247474
Energy: 0.4583810211732683
Energy: 0.45839556582401303
Energy: 0.5041203812399615
Energy: 0.448685927834778
Energy: 0.44867769666839696
Energy: 0.42557024314893943
Energy: 0.4442985363068262
Energy: 0.4442984900717525
Energy: 0.43689740833066437
Energy: 0.4576927914252438
Energy: 0.45769207810724083
Energy: 0.43573927859019
Energy: 0.4451052654619221
Energy: 0.4451052654591234
Energy: 0.4291618962185886
Energy: 0.46327224365469855
Energy: 0.46327325637440925
Energy: 0.44547211086639943
Energy: 0.4486790864203652
Energy: 0.4486798238381406
Energy: 0.4638184901323155
Energy: 0.4451052657913057
Energy: 0.4451052657346646
Energy: 0.44854973353426364
Energy: 0.45107202026529425
Energy: 0.4510663053445196
   minimum gb energy = 0.42557024314893943 eV
   minimum distance = 2.51565796032687 Angstroms
   sigma value = 25

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

Energy: 0.4732649138121082
Energy: 0.4507351056129267
Energy: 0.4507351055783386
Energy: 0.4495548291731955
Energy: 0.44885574109915616
Energy: 0.4488558254891798
Energy: 0.45899738242719607
Energy: 0.4708978354257329
Energy: 0.47083925762848744
Energy: 0.4392078443748991
Energy: 0.4483776936834893
Energy: 0.44837769369289293
Energy: 0.44885651675182653
Energy: 0.4498792159559205
Energy: 0.44987897691089956
Energy: 0.47582274306000644
Energy: 0.44813491992734544
Energy: 0.44813491635332237
Energy: 0.4945913699925846
Energy: 0.4457822567276054
Energy: 0.4457822604964021
Energy: 0.44310437521114454
Energy: 0.45215587947288777
Energy: 0.45305818669656556
Energy: 0.4490992109022434
Energy: 0.46010819329071706
Energy: 0.46007928613644894
Energy: 0.44483613613832157
Energy: 0.4695218465576448
Energy: 0.46950525610906835
   minimum gb energy = 0.4392078443748991 eV
   minimum distance = 2.53120083642922 Angstroms
   sigma value = 173

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

Energy: 0.45279824948418995
Energy: 0.47955792185885254
Energy: 0.47955852757753836
Energy: 0.43784777716193873
Energy: 0.43658730118720696
Energy: 0.43658748166397715
Energy: 0.505326626594605
Energy: 0.46775618254766754
Energy: 0.4677622350971456
Energy: 0.5079535472749579
Energy: 0.4766993603782967
Energy: 0.47669624816462625
Energy: 0.4365872023657473
Energy: 0.46793722329452336
Energy: 0.46794170041415467
Energy: 0.4378477966955143
Energy: 0.43934447192023757
Energy: 0.4393440750701878
Energy: 0.4765956652290355
Energy: 0.47669612862345645
Energy: 0.4766956484888734
Energy: 0.4456796332627906
Energy: 0.4582261524436019
Energy: 0.45822568004700026
Energy: 0.5202128672788069
Energy: 0.4378479608906478
Energy: 0.4378477722905371
Energy: 0.4365872705669786
Energy: 0.4605338053431646
Energy: 0.46052911240062955
   minimum gb energy = 0.4365872023657473 eV
   minimum distance = 2.52906416970169 Angstroms
   sigma value = 9

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

Energy: 0.4819490207144197
Energy: 0.48598113577337615
Energy: 0.48595638394235086
Energy: 0.4605331725821407
Energy: 0.48025803307110243
Energy: 0.4802562436026392
Energy: 0.4601620063736186
Energy: 0.4539782061976797
Energy: 0.45397867888633914
Energy: 0.49626302381868287
Energy: 0.47559758110497935
Energy: 0.47974634572124264
Energy: 0.4536375794237288
Energy: 0.4539786237805625
Energy: 0.4539785137755598
Energy: 0.48927254942883003
Energy: 0.4526482319055061
Energy: 0.45264823181704483
Energy: 0.4483167874095524
Energy: 0.4836887473832209
Energy: 0.48368525313209687
Energy: 0.5182317499346438
Energy: 0.4501945448008217
Energy: 0.45019456578318584
Energy: 0.4506331776775348
Energy: 0.47528590220527367
Energy: 0.4752582316256956
Energy: 0.5337487456618452
Energy: 0.4526482318382651
Energy: 0.45264832889328205
   minimum gb energy = 0.4483167874095524 eV
   minimum distance = 2.5189805477178 Angstroms
   sigma value = 31

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

Energy: 0.48038146995229913
Energy: 0.4645808448893304
Energy: 0.46458084470021743
Energy: 0.4914113832200512
Energy: 0.4832503583078537
Energy: 0.48324911538747417
Energy: 0.49633619734819834
Energy: 0.475231414998281
Energy: 0.47523234243251683
Energy: 0.4588464586913069
Energy: 0.4489624812125651
Energy: 0.4489623999261624
Energy: 0.454115726077791
Energy: 0.4750100371912811
Energy: 0.4750109466797466
Energy: 0.4484443211209577
Energy: 0.4593786074088315
Energy: 0.45937860261591285
Energy: 0.4482497209685444
Energy: 0.4570008898130098
Energy: 0.45700097500396786
Energy: 0.44824972097048493
Energy: 0.46281901237309225
Energy: 0.46281901376091994
Energy: 0.4732511298930224
Energy: 0.4807558829819198
Energy: 0.4807568640856557
Energy: 0.4860287937009824
Energy: 0.4841000132770818
Energy: 0.48409884756496085
   minimum gb energy = 0.4482497209685444 eV
   minimum distance = 2.530453487982 Angstroms
   sigma value = 25

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

Energy: 0.4912450425208184
Energy: 0.4847881303777406
Energy: 0.48478812747718025
Energy: 0.4574907366102565
Energy: 0.474788336116327
Energy: 0.47478818140745893
Energy: 0.45749073629666287
Energy: 0.4660875747877068
Energy: 0.4660875547069089
Energy: 0.4691249413597365
Energy: 0.4613413150294352
Energy: 0.4613413149575942
Energy: 0.46294399867344
Energy: 0.49262668941857474
Energy: 0.49262675942920714
Energy: 0.46022736869264724
Energy: 0.4698570216115143
Energy: 0.4698568919456242
Energy: 0.45631131573058215
Energy: 0.46134129145607194
Energy: 0.46134129099154
Energy: 0.4612352279216815
Energy: 0.48896824551580803
Energy: 0.48898879939218726
Energy: 0.45749073994670036
Energy: 0.46478946078289757
Energy: 0.46478978319819897
Energy: 0.4526201017623419
Energy: 0.46134129089689335
Energy: 0.46134131262761524
   minimum gb energy = 0.4526201017623419 eV
   minimum distance = 2.51647682010576 Angstroms
   sigma value = 205

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

Energy: 0.4925585042318808
Energy: 0.4984262460526607
Energy: 0.4984262458831622
Energy: 0.49272650803448875
Energy: 0.4894700560434583
Energy: 0.48947005618185724
Energy: 0.4822985997452203
Energy: 0.4771387401460882
Energy: 0.4771368372274859
Energy: 0.4566452459858853
Energy: 0.46266010607527785
Energy: 0.4626602061725872
Energy: 0.4835750565396076
Energy: 0.4749597005294743
Energy: 0.47495973786964185
Energy: 0.5450808049541617
Energy: 0.45793803823745916
Energy: 0.45793799245895284
Energy: 0.46188184469204874
Energy: 0.4611655809459627
Energy: 0.4611655645734633
Energy: 0.45434984480822777
Energy: 0.4611655645257286
Energy: 0.46116556462173464
Energy: 0.4978348241617942
Energy: 0.4579379923945829
Energy: 0.4579379923237735
Energy: 0.48409562224800184
Energy: 0.45730343792806444
Energy: 0.4573034503136286
   minimum gb energy = 0.45434984480822777 eV
   minimum distance = 2.51890689658384 Angstroms
   sigma value = 85

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

Energy: 0.4959034511511443
Energy: 0.4620877446837662
Energy: 0.46208783274162435
Energy: 0.45494946021619603
Energy: 0.4663823275948014
Energy: 0.46638237920145753
Energy: 0.4718700823708679
Energy: 0.46840157449303776
Energy: 0.4684016428812037
Energy: 0.44964193721945656
Energy: 0.45125637469769675
Energy: 0.4512563741987891
Energy: 0.48538433730444047
Energy: 0.49362516894084196
Energy: 0.49364526568894446
Energy: 0.48917393022028066
Energy: 0.4710527272363308
Energy: 0.47105278764981273
Energy: 0.5101610632559794
Energy: 0.4595411994536381
Energy: 0.45954119878904043
Energy: 0.512202765783257
Energy: 0.490772443794028
Energy: 0.49077251163068003
Energy: 0.5199961372285806
Energy: 0.47535543839199484
Energy: 0.47535493998095407
Energy: 0.4492439412445371
Energy: 0.4689550725927589
Energy: 0.46895520671779584
   minimum gb energy = 0.4492439412445371 eV
   minimum distance = 2.50241683837456 Angstroms
   sigma value = 89

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

Energy: 0.43935411833366284
Energy: 0.5093619185153134
Energy: 0.509362311370112
Energy: 0.6562046155280479
Energy: 0.4277114477329118
Energy: 0.42771145601465904
Energy: 0.6327925823965012
Energy: 0.433131093412482
Energy: 0.4331310934604515
Energy: 0.42771144696289215
Energy: 0.4297276649661442
Energy: 0.4297277680136492
Energy: 0.5287993930868972
Energy: 0.47075347989842825
Energy: 0.47075338911459597
Energy: 0.4277114503499586
Energy: 0.4444495300352841
Energy: 0.44444953003765664
Energy: 0.5309133069295465
Energy: 0.47075350775532604
Energy: 0.47075338575392756
Energy: 0.42771144843933584
Energy: 0.4444495653511404
Energy: 0.444449692243647
Energy: 0.4265509537661649
Energy: 0.5093589512211403
Energy: 0.5093589762798855
Energy: 0.42815632359482797
Energy: 0.42771145336761424
Energy: 0.4277114497622719
   minimum gb energy = 0.4265509537661649 eV
   minimum distance = 2.62442732424534 Angstroms
   sigma value = 17

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

Energy: 0.48710390262057546
Energy: 0.4592707078141463
Energy: 0.4592689377497224
Energy: 0.4475025307952897
Energy: 0.47657904248532457
Energy: 0.4765784048459772
Energy: 0.48915357346684146
Energy: 0.4731292212819824
Energy: 0.473129304640802
Energy: 0.4773259409872748
Energy: 0.460433652109393
Energy: 0.46043356440782557
Energy: 0.47927946599196125
Energy: 0.48013188459163264
Energy: 0.48013188454608907
Energy: 0.5156700671455807
Energy: 0.4809120901146964
Energy: 0.48091251938724106
Energy: 0.4734145466278001
Energy: 0.45880631486895
Energy: 0.4588065230981078
Energy: 0.4429023638688197
Energy: 0.45048746913733395
Energy: 0.45048767747003676
Energy: 0.5159091965483829
Energy: 0.47844189963315104
Energy: 0.478438478947916
Energy: 0.46290295600624676
Energy: 0.4613011133500203
Energy: 0.46130119678179066
   minimum gb energy = 0.4429023638688197 eV
   minimum distance = 2.56518012369629 Angstroms
   sigma value = 241

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

Energy: 0.48176153165925545
Energy: 0.449569450487206
Energy: 0.44956932438607156
Energy: 0.4548355370405087
Energy: 0.4814205958335679
Energy: 0.48142072119953283
Energy: 0.5617922970470274
Energy: 0.47981828847561
Energy: 0.47981824141463164
Energy: 0.4597102112484006
Energy: 0.44956933715700154
Energy: 0.44956932528646376
Energy: 0.442965713027179
Energy: 0.44523825815544926
Energy: 0.44523822758805154
Energy: 0.5613342493768506
Energy: 0.4765721763712789
Energy: 0.47657334321297523
Energy: 0.47512556485978324
Energy: 0.5024932162214166
Energy: 0.5024676449684136
Energy: 0.4587108104268292
Energy: 0.44523816603251676
Energy: 0.44523829259687453
Energy: 0.442965736484593
Energy: 0.4765726022847594
Energy: 0.476573876076619
Energy: 0.5459665925986915
Energy: 0.4477667898469243
Energy: 0.44776680225265614
   minimum gb energy = 0.442965713027179 eV
   minimum distance = 2.50957636832953 Angstroms
   sigma value = 65

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

Energy: 0.46775863955063596
Energy: 0.44369266911765354
Energy: 0.4436926679988867
Energy: 0.4365692248449463
Energy: 0.4594630282843001
Energy: 0.45946303600085114
Energy: 0.4354525347782172
Energy: 0.46237602236587233
Energy: 0.4623761686196727
Energy: 0.4865597429477503
Energy: 0.4566229074943276
Energy: 0.4566229254950829
Energy: 0.6358911931150357
Energy: 0.4677585846449361
Energy: 0.46775858492615685
Energy: 0.5950871174001786
Energy: 0.5153740838547644
Energy: 0.5153529582990198
Energy: 0.43545253472928785
Energy: 0.4623760540472274
Energy: 0.462376180002967
Energy: 0.4848772918798172
Energy: 0.47356829752397755
Energy: 0.47356830524188775
Energy: 0.4388044520602416
Energy: 0.44232070428565945
Energy: 0.44232069753639175
Energy: 0.43545254158861596
Energy: 0.5203293950433564
Energy: 0.5203293888232311
   minimum gb energy = 0.43545253472928785 eV
   minimum distance = 2.56020658643353 Angstroms
   sigma value = 53

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

Energy: 0.45243507961448737
Energy: 0.43497420748812227
Energy: 0.4349741746187412
Energy: 0.5879503214223144
Energy: 0.49871897261374276
Energy: 0.49871231106588293
Energy: 0.47860077218835556
Energy: 0.46427769944502095
Energy: 0.4642776832087973
Energy: 0.42789183146585824
Energy: 0.531818004328557
Energy: 0.53182117371335
Energy: 0.6431287781543834
Energy: 0.5289145759114248
Energy: 0.5289144617187849
Energy: 0.4278917381248419
Energy: 0.4867253993725238
Energy: 0.48670485153675586
Energy: 0.47668310463440844
Energy: 0.4597003892395036
Energy: 0.459703263784577
Energy: 0.4934107526947874
Energy: 0.46982095461175266
Energy: 0.46982091940154375
Energy: 0.4524353448725181
Energy: 0.43497513024707213
Energy: 0.4349746835310343
Energy: 0.5824757185072317
Energy: 0.4930317146195784
Energy: 0.49302651237410056
   minimum gb energy = 0.4278917381248419 eV
   minimum distance = 2.48686930753807 Angstroms
   sigma value = 109

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

Energy: 0.4961950888854866
Energy: 0.46755343261380644
Energy: 0.46755260971712975
Energy: 0.4331028239464443
Energy: 0.49343834511760387
Energy: 0.49343834527612795
Energy: 0.4660902178396114
Energy: 0.47140959537348404
Energy: 0.47140962434371053
Energy: 0.4675556172389319
Energy: 0.45900845870803253
Energy: 0.45900868889369684
Energy: 0.5823889862099819
Energy: 0.4961951845641945
Energy: 0.49619530687276575
Energy: 0.46755561724293304
Energy: 0.45900846052191635
Energy: 0.4590084804048837
Energy: 0.4660902178625104
Energy: 0.4714096890132528
Energy: 0.47140968901107033
Energy: 0.43310398653943055
Energy: 0.4934381616320132
Energy: 0.49343809547434836
Energy: 0.4961958495507802
Energy: 0.4675526955577881
Energy: 0.4675524295684644
Energy: 0.43310431876168
Energy: 0.49343802763842476
Energy: 0.4934381204172233
   minimum gb energy = 0.4331028239464443 eV
   minimum distance = 2.50878909595259 Angstroms
   sigma value = 185

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

Energy: 0.3945405373377232
Energy: 0.39454053735477274
Energy: 0.39454144738578334
Energy: 0.5184001901851725
Energy: 0.41896359488877233
Energy: 0.4189634527708601
Energy: 0.3918789710658591
Energy: 0.42567306992753745
Energy: 0.42567309138638937
Energy: 0.5185572252686909
Energy: 0.4189636798100137
Energy: 0.4189635712495042
Energy: 0.39454057818402805
Energy: 0.3945406510544182
Energy: 0.39454061515897587
Energy: 0.5184001905116908
Energy: 0.42070705961472205
Energy: 0.4207070682869807
Energy: 0.3917005844939079
Energy: 0.4256729681015457
Energy: 0.42567270794754763
Energy: 0.5189928040728675
Energy: 0.4271543624698594
Energy: 0.4271543306326431
Energy: 0.3945405373654043
Energy: 0.39454055358644996
Energy: 0.39454066269538807
Energy: 0.5184001901801767
Energy: 0.42715421038486867
Energy: 0.42715422186101487
   minimum gb energy = 0.3917005844939079 eV
   minimum distance = 2.60402731713171 Angstroms
   sigma value = 9

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

Energy: 0.49158151851249354
Energy: 0.4805508491869596
Energy: 0.48055020301580254
Energy: 0.6062987629427258
Energy: 0.46469231708476516
Energy: 0.46469419906419523
Energy: 0.4848636245550055
Energy: 0.4836042547255357
Energy: 0.48360527237364287
Energy: 0.4872237545969024
Energy: 0.48433762292184257
Energy: 0.48438304026187756
Energy: 0.4846409467246961
Energy: 0.4824218172520693
Energy: 0.4824187124271187
Energy: 0.4828620448287364
Energy: 0.48214549964077624
Energy: 0.48214512145463506
Energy: 0.6348458759605801
Energy: 0.47647463534893114
Energy: 0.47647306162109926
Energy: 0.48794777812070494
Energy: 0.4803180194754915
Energy: 0.4803180514025095
Energy: 0.6100834253361508
Energy: 0.47470967398617747
Energy: 0.47470547043683
Energy: 0.4828620116769038
Energy: 0.4813896569762735
Energy: 0.4813898838764495
   minimum gb energy = 0.46469231708476516 eV
   minimum distance = 2.51012518603448 Angstroms
   sigma value = 221

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

Energy: 0.5063769925152287
Energy: 0.4981798936643907
Energy: 0.4981934834568631
Energy: 0.44511977302558925
Energy: 0.4672661875786949
Energy: 0.4672661934801276
Energy: 0.4374607432641386
Energy: 0.4707414013599014
Energy: 0.4707413938846828
Energy: 0.4383896279287295
Energy: 0.46890509614732984
Energy: 0.4688956780907509
Energy: 0.5005878888842334
Energy: 0.5019346797688515
Energy: 0.5019347887571862
Energy: 0.5842268134749763
Energy: 0.49795465906211533
Energy: 0.4979539898694025
Energy: 0.6621555934084159
Energy: 0.44041754510356407
Energy: 0.4404171854086252
Energy: 0.5612875175557592
Energy: 0.441292823250909
Energy: 0.44129267793973226
Energy: 0.571518956006423
Energy: 0.47074112736826784
Energy: 0.47074114673759393
Energy: 0.5413071021792238
Energy: 0.47797400646717736
Energy: 0.4779757088101148
   minimum gb energy = 0.4374607432641386 eV
   minimum distance = 2.54528443736501 Angstroms
   sigma value = 137

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

Energy: 0.4578199194159844
Energy: 0.46064439682988306
Energy: 0.4606444656764695
Energy: 0.629326924557929
Energy: 0.46064444403142973
Energy: 0.4606453115806647
Energy: 0.542816166623784
Energy: 0.4915269549517412
Energy: 0.4915251207972928
Energy: 0.45974759954616085
Energy: 0.5000329964886474
Energy: 0.5000330895061059
Energy: 0.5425645808353866
Energy: 0.4510528662117219
Energy: 0.4510524066288302
Energy: 0.45974764760430337
Energy: 0.4784419241648859
Energy: 0.4784403590271007
Energy: 0.6428776102765292
Energy: 0.5394968662969971
Energy: 0.5394969923784213
Energy: 0.45974775096763343
Energy: 0.4790693137798706
Energy: 0.47906863711807773
Energy: 0.5510308132777315
Energy: 0.473613958391654
Energy: 0.4736143763791809
Energy: 0.4510527569794803
Energy: 0.47361477397533264
Energy: 0.47361564319730476
   minimum gb energy = 0.4510524066288302 eV
   minimum distance = 2.54165204921531 Angstroms
   sigma value = 73

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

Energy: 0.515053765198086
Energy: 0.4671245735607047
Energy: 0.4671252982148658
Energy: 0.4846853405429267
Energy: 0.48667939837596036
Energy: 0.48667941494479067
Energy: 0.49250435408067333
Energy: 0.4852907105564508
Energy: 0.48529090718189216
Energy: 0.45782647069860466
Energy: 0.46712540932977037
Energy: 0.46712531452275213
Energy: 0.5114649781435692
Energy: 0.4867492552760198
Energy: 0.4867490438530578
Energy: 0.4634688905500772
Energy: 0.45982163390683306
Energy: 0.4598215872238827
Energy: 0.4592901329856988
Energy: 0.4956809900780139
Energy: 0.4956815994870511
Energy: 0.48178700486686493
Energy: 0.48361450606172773
Energy: 0.483614257939305
Energy: 0.48961264320691217
Energy: 0.45982157643268073
Energy: 0.4598215901604634
Energy: 0.45928961935967694
Energy: 0.48192287539244943
Energy: 0.4819228816153069
   minimum gb energy = 0.45782647069860466 eV
   minimum distance = 2.53658743185074 Angstroms
   sigma value = 97

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

Energy: 0.5026904545737477
Energy: 0.48648345763608275
Energy: 0.48648446660194167
Energy: 0.4695946201763902
Energy: 0.4775934150067014
Energy: 0.477592534283056
Energy: 0.47471953966779784
Energy: 0.490981021315109
Energy: 0.49106716363800407
Energy: 0.47118232774186214
Energy: 0.48990320510784463
Energy: 0.4899032468123781
Energy: 0.6222691436456642
Energy: 0.45765821825389774
Energy: 0.4576584204209955
Energy: 0.5335867758300068
Energy: 0.4910936178153483
Energy: 0.4910614703595511
Energy: 0.5144636059184926
Energy: 0.46232005040067775
Energy: 0.46232057508157737
Energy: 0.5091829111798296
Energy: 0.4591544811330269
Energy: 0.4591545051125392
Energy: 0.4992151365593971
Energy: 0.4767159807782208
Energy: 0.47671600727847563
Energy: 0.47209185226848355
Energy: 0.48755968665241367
Energy: 0.4875574380514403
   minimum gb energy = 0.45765821825389774 eV
   minimum distance = 2.54062447060306 Angstroms
   sigma value = 7

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

Energy: 0.48075027642690205
Energy: 0.47766185654629617
Energy: 0.47766143678874856
Energy: 0.4679324164086841
Energy: 0.5329809387066479
Energy: 0.5329808038338391
Energy: 0.5856527091368444
Energy: 0.47229150147909543
Energy: 0.47228992131349906
Energy: 0.47328323752601914
Energy: 0.48979508813232814
Energy: 0.4911236794360155
Energy: 0.4762533218900817
Energy: 0.49772369350199586
Energy: 0.4977251105284489
Energy: 0.4722896860617291
Energy: 0.48173734651704786
Energy: 0.48053039097835326
Energy: 0.4921801811944694
Energy: 0.4765389833803719
Energy: 0.47653911609593025
Energy: 0.6408038282173191
Energy: 0.4698353812063155
Energy: 0.4698353968346398
Energy: 0.49294580380827785
Energy: 0.4900066334573602
Energy: 0.4900066431571595
Energy: 0.4733427655608994
Energy: 0.516360069083944
Energy: 0.5163483498365693
   minimum gb energy = 0.4679324164086841 eV
   minimum distance = 2.56614627724686 Angstroms
   sigma value = 169

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

Energy: 0.4834345347949189
Energy: 0.48543596654169835
Energy: 0.48543595305241266
Energy: 0.5045646566007514
Energy: 0.48118383958274513
Energy: 0.4811842402069269
Energy: 0.5330798256534811
Energy: 0.4856722097420163
Energy: 0.48567303784366256
Energy: 0.4807794825291354
Energy: 0.4780841404295304
Energy: 0.47808442257666556
Energy: 0.4816446607468992
Energy: 0.48622149128942926
Energy: 0.48622133316201765
Energy: 0.5411329910366096
Energy: 0.4844357130910326
Energy: 0.48444218344435896
Energy: 0.4723297932119252
Energy: 0.4854358322793305
Energy: 0.4854358327552979
Energy: 0.47057296238425045
Energy: 0.5248575219669576
Energy: 0.5248574403610976
Energy: 0.6095356619662295
Energy: 0.4915887581372049
Energy: 0.49158885299207844
Energy: 0.4723297261765313
Energy: 0.47866724374166253
Energy: 0.47866729904423483
   minimum gb energy = 0.47057296238425045 eV
   minimum distance = 2.55111919069759 Angstroms
   sigma value = 29

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

Energy: 0.49572900228097144
Energy: 0.5056123785264751
Energy: 0.5056114884001477
Energy: 0.47828687982108087
Energy: 0.48516563092824566
Energy: 0.48516564344879787
Energy: 0.551334892971205
Energy: 0.488603075663384
Energy: 0.48860093140261934
Energy: 0.4834972807560966
Energy: 0.49073850258188206
Energy: 0.49073851447682687
Energy: 0.4889334592780027
Energy: 0.49441952293228947
Energy: 0.494419528536316
Energy: 0.534636660435661
Energy: 0.4888955638818191
Energy: 0.4888956488756379
Energy: 0.48994873720101617
Energy: 0.490765235456958
Energy: 0.4907654007870062
Energy: 0.4855644769982623
Energy: 0.4986169737300097
Energy: 0.49861463423162455
Energy: 0.5033257868346881
Energy: 0.4832674675458983
Energy: 0.4832679836420202
Energy: 0.5017347924668042
Energy: 0.5325202988331942
Energy: 0.5325203007251322
   minimum gb energy = 0.47828687982108087 eV
   minimum distance = 2.52309885432635 Angstroms
   sigma value = 97

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

Energy: 0.4876703438116833
Energy: 0.49838076392325564
Energy: 0.49838061265907646
Energy: 0.48133697944960746
Energy: 0.4835444756840593
Energy: 0.4835442905857875
Energy: 0.49668903771436074
Energy: 0.5168605275627417
Energy: 0.5168606853698716
Energy: 0.47911053181919416
Energy: 0.5031156971871512
Energy: 0.5011012807147395
Energy: 0.5881469028385592
Energy: 0.4852417524855307
Energy: 0.4852413915883641
Energy: 0.5223522839699967
Energy: 0.49145316023262975
Energy: 0.4914531210899437
Energy: 0.4733340768388845
Energy: 0.4872508952093889
Energy: 0.48725111160713636
Energy: 0.4837831606616143
Energy: 0.4875808343948172
Energy: 0.48757972643969033
Energy: 0.480384024974677
Energy: 0.4899111328409507
Energy: 0.4899120983835246
Energy: 0.4776058209104955
Energy: 0.497141551108909
Energy: 0.4968645224693688
   minimum gb energy = 0.4733340768388845 eV
   minimum distance = 2.52019022621781 Angstroms
   sigma value = 73

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

Energy: 0.49394157139027955
Energy: 0.4952136951399447
Energy: 0.4952131575060589
Energy: 0.5510621871492406
Energy: 0.48900038439688626
Energy: 0.4890028395330183
Energy: 0.47968091430793663
Energy: 0.4990931038179511
Energy: 0.49909310368633164
Energy: 0.6075239897298861
Energy: 0.48508111144123434
Energy: 0.4850859298205146
Energy: 0.4838133245527254
Energy: 0.4885540490077838
Energy: 0.488552922180295
Energy: 0.504928394402647
Energy: 0.4908484647787603
Energy: 0.4908644157482901
Energy: 0.48251672653120725
Energy: 0.49663862541584824
Energy: 0.4966307896518852
Energy: 0.48796600486940245
Energy: 0.4938754875066485
Energy: 0.49381678057560435
Energy: 0.48778313059860096
Energy: 0.4970254396523925
Energy: 0.49702337173411504
Energy: 0.5072962440759093
Energy: 0.5022175210355607
Energy: 0.5022209744392405
   minimum gb energy = 0.47968091430793663 eV
   minimum distance = 2.53679927311966 Angstroms
   sigma value = 205

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

Energy: 0.49497970736415897
Energy: 0.4957469351025584
Energy: 0.49574736745924364
Energy: 0.48527664757643785
Energy: 0.4991802835658691
Energy: 0.49917841033080823
Energy: 0.48448119335202267
Energy: 0.5011525090351862
Energy: 0.5011504878296492
Energy: 0.48145682193516864
Energy: 0.4810634641387659
Energy: 0.4810633726116792
Energy: 0.4910031631329892
Energy: 0.47848036034218333
Energy: 0.4784810839019626
Energy: 0.5027746835851081
Energy: 0.4802980855789456
Energy: 0.48029835355272876
Energy: 0.5342301398866319
Energy: 0.48676996650870014
Energy: 0.4867699602925962
Energy: 0.5500956247068446
Energy: 0.4962748292897475
Energy: 0.49629013198332006
Energy: 0.5020392294585443
Energy: 0.4963103877144168
Energy: 0.4963142366673535
Energy: 0.5119264013711632
Energy: 0.48868803806038347
Energy: 0.48868803571070507
   minimum gb energy = 0.47848036034218333 eV
   minimum distance = 2.5296987059453 Angstroms
   sigma value = 137

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

Energy: 0.4706610115309246
Energy: 0.4824206642594389
Energy: 0.4824206623588184
Energy: 0.4852895667108302
Energy: 0.4538783683607404
Energy: 0.4538783667827985
Energy: 0.49264094678519027
Energy: 0.45398298548437244
Energy: 0.45398299185718627
Energy: 0.470660935442794
Energy: 0.45115743732687213
Energy: 0.4511574440588714
Energy: 0.4706609357809478
Energy: 0.4538783702250805
Energy: 0.45387836616112553
Energy: 0.4706609354385952
Energy: 0.45398298548569244
Energy: 0.4539829854848124
Energy: 0.4852895667094977
Energy: 0.47172764271636514
Energy: 0.4717276407887668
Energy: 0.4706609354385952
Energy: 0.45387837165175265
Energy: 0.45387836612972254
Energy: 0.4706609354368227
Energy: 0.45387836891451616
Energy: 0.45387836612153876
Energy: 0.4565899705820049
Energy: 0.4717276483759497
Energy: 0.4717276408893995
   minimum gb energy = 0.45115743732687213 eV
   minimum distance = 2.67454736672456 Angstroms
   sigma value = 5

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

Energy: 0.48200890304203026
Energy: 0.5119659836921714
Energy: 0.5119444960144464
Energy: 0.4725115418216417
Energy: 0.5096195061891317
Energy: 0.5096211597483978
Energy: 0.46837840520760365
Energy: 0.49766842264401967
Energy: 0.49766842333432554
Energy: 0.47599721509159626
Energy: 0.48662986166213534
Energy: 0.48662985188898494
Energy: 0.5106445406063183
Energy: 0.4677364333249516
Energy: 0.4677364333813835
Energy: 0.519474928219317
Energy: 0.4689109930861766
Energy: 0.4689111117416292
Energy: 0.46864539634074803
Energy: 0.48460792510016026
Energy: 0.48460445847865435
Energy: 0.471762554978189
Energy: 0.4754548539358806
Energy: 0.475455434444073
Energy: 0.4806247453982597
Energy: 0.4742000043518492
Energy: 0.47419776514371287
Energy: 0.4795283455040554
Energy: 0.5555847898786666
Energy: 0.5555821223141841
   minimum gb energy = 0.4677364333249516 eV
   minimum distance = 2.5586800246143 Angstroms
   sigma value = 289

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

Energy: 0.4785292131339012
Energy: 0.5136433229428937
Energy: 0.5136467249968067
Energy: 0.470202202142813
Energy: 0.46546508615365895
Energy: 0.4654651498681538
Energy: 0.5167582388264275
Energy: 0.46541629878472945
Energy: 0.465416302643106
Energy: 0.47760559619232845
Energy: 0.48110467085141684
Energy: 0.4811075443599277
Energy: 0.46713961564234396
Energy: 0.5277493437797924
Energy: 0.5277752864478815
Energy: 0.50340306013101
Energy: 0.489910548713029
Energy: 0.48990979294040327
Energy: 0.46854263981549826
Energy: 0.5015884420753004
Energy: 0.505025928504653
Energy: 0.47402149280938727
Energy: 0.4681012415543272
Energy: 0.46810122665999404
Energy: 0.4892366448965701
Energy: 0.47408907090156405
Energy: 0.47408968594176215
Energy: 0.48103392173603526
Energy: 0.46949241441105594
Energy: 0.4694942146332256
   minimum gb energy = 0.46541629878472945 eV
   minimum distance = 2.54486627532607 Angstroms
   sigma value = 109

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

Energy: 0.47394251847486757
Energy: 0.5064155038071906
Energy: 0.5064131965777887
Energy: 0.48130966248241763
Energy: 0.49716720482802373
Energy: 0.4971668947357653
Energy: 0.48969168280308845
Energy: 0.494299819064511
Energy: 0.49429982221081037
Energy: 0.4678264314650369
Energy: 0.5087666358008144
Energy: 0.508764814568073
Energy: 0.4703480384249829
Energy: 0.4801900392633039
Energy: 0.4801747732485126
Energy: 0.526958220313083
Energy: 0.4652822927679016
Energy: 0.4652823086643895
Energy: 0.46197147097637076
Energy: 0.46753517827057567
Energy: 0.4675338826616311
Energy: 0.46127969953509895
Energy: 0.5339985045142895
Energy: 0.5331073736440406
Energy: 0.49559868664725426
Energy: 0.4678271525940815
Energy: 0.4678275086870004
Energy: 0.46180573757723903
Energy: 0.473254870709992
Energy: 0.47325482560839216
   minimum gb energy = 0.46127969953509895 eV
   minimum distance = 2.52359005804899 Angstroms
   sigma value = 157

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

Energy: 0.46756625777835187
Energy: 0.5056439472904375
Energy: 0.505644736617289
Energy: 0.4654484443245693
Energy: 0.45719004406006575
Energy: 0.45719001994228864
Energy: 0.45104598905306637
Energy: 0.46037219020595826
Energy: 0.4603718191766427
Energy: 0.464951895850692
Energy: 0.47576007547352195
Energy: 0.47575900640923957
Energy: 0.5319429138788537
Energy: 0.45858161187806273
Energy: 0.45858159897718276
Energy: 0.5335509525377466
Energy: 0.4516320638967867
Energy: 0.4516322822643319
Energy: 0.49922216900911404
Energy: 0.4543284287606393
Energy: 0.4543280736779283
Energy: 0.4513376000144747
Energy: 0.4801813527613875
Energy: 0.4801813173719543
Energy: 0.4649517651111672
Energy: 0.45718943885975544
Energy: 0.45718945497349806
Energy: 0.45470905111517546
Energy: 0.5200018798615456
Energy: 0.5200019664232206
   minimum gb energy = 0.45104598905306637 eV
   minimum distance = 2.55875277948595 Angstroms
   sigma value = 53

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

Energy: 0.45880161592275437
Energy: 0.4786109882367901
Energy: 0.4786109947171048
Energy: 0.5030155508145837
Energy: 0.4508183964632832
Energy: 0.45081840689679986
Energy: 0.4524794505116468
Energy: 0.5209372105472779
Energy: 0.5209406970806256
Energy: 0.4685080317450463
Energy: 0.45127522210654064
Energy: 0.4512752176043751
Energy: 0.4636052596771342
Energy: 0.5011486731703546
Energy: 0.5011485627873281
Energy: 0.4689085496431161
Energy: 0.4724725986201086
Energy: 0.47247018041282246
Energy: 0.45857999160823576
Energy: 0.4521279533604646
Energy: 0.4521273157562965
Energy: 0.471460824986717
Energy: 0.4842464306095822
Energy: 0.4842464276114113
Energy: 0.4512752091931622
Energy: 0.4488872914239537
Energy: 0.4488872914214991
Energy: 0.5134835134745196
Energy: 0.4497209516062524
Energy: 0.4497209587496134
   minimum gb energy = 0.4488872914214991 eV
   minimum distance = 2.5529539548333 Angstroms
   sigma value = 1

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

Energy: 0.4834381115827932
Energy: 0.47199479077489803
Energy: 0.4719948059349849
Energy: 0.47096467380688994
Energy: 0.468565286731935
Energy: 0.46856550630954386
Energy: 0.44616628872773967
Energy: 0.456178667418617
Energy: 0.45617867457523303
Energy: 0.45826181443799524
Energy: 0.46998724946762027
Energy: 0.46998701682655225
Energy: 0.5049299945147933
Energy: 0.44246334654682873
Energy: 0.44246312805064475
Energy: 0.4536081152497945
Energy: 0.5255853936425808
Energy: 0.5255853915623346
Energy: 0.511506387964017
Energy: 0.45449921673043997
Energy: 0.45449921674076743
Energy: 0.4421190832736273
Energy: 0.5166483858082014
Energy: 0.5166479441174695
Energy: 0.44808685096098305
Energy: 0.458262158034705
Energy: 0.4582620910290414
Energy: 0.47083490620149326
Energy: 0.46896306437804725
Energy: 0.4689620251148858
   minimum gb energy = 0.4421190832736273 eV
   minimum distance = 2.51889240649435 Angstroms
   sigma value = 3

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

Energy: 0.5282814301055437
Energy: 0.451585663500826
Energy: 0.4515861662392993
Energy: 0.43510584902858923
Energy: 0.4797278393560484
Energy: 0.4797276856536125
Energy: 0.426612301785936
Energy: 0.4749375980769522
Energy: 0.47493809238198437
Energy: 0.4351058915647058
Energy: 0.43385047059514853
Energy: 0.4338506277645856
Energy: 0.4634422624118949
Energy: 0.4556084650852158
Energy: 0.4556089405380046
Energy: 0.532627252431227
Energy: 0.43899141685839244
Energy: 0.4389915903536196
Energy: 0.49160366201199673
Energy: 0.4389916142596568
Energy: 0.4389914030497418
Energy: 0.5282810628405794
Energy: 0.4242717628036853
Energy: 0.42427177861383725
Energy: 0.4372217058931866
Energy: 0.5075532161011128
Energy: 0.5075529356172767
Energy: 0.42966446526530183
Energy: 0.48091426914756774
Energy: 0.4809143492847157
   minimum gb energy = 0.4242717628036853 eV
   minimum distance = 2.585828944698 Angstroms
   sigma value = 17

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

Energy: 0.46943180113096145
Energy: 0.46108596508642363
Energy: 0.4610860292049557
Energy: 0.4381140079098684
Energy: 0.4463680850910464
Energy: 0.4463680829437616
Energy: 0.4415098683329138
Energy: 0.47816943880625634
Energy: 0.47816943938777584
Energy: 0.5027609683897192
Energy: 0.4433601515840391
Energy: 0.44336011951684695
Energy: 0.4925721900270758
Energy: 0.4382807244901449
Energy: 0.43828072234642534
Energy: 0.4744700395848283
Energy: 0.4652122991857122
Energy: 0.46521224775804093
Energy: 0.4652123860450264
Energy: 0.44465230325348976
Energy: 0.444652398430424
Energy: 0.432887536054763
Energy: 0.5280430695427855
Energy: 0.5280430934728596
Energy: 0.4327889679830077
Energy: 0.4405168639443582
Energy: 0.4405182942076073
Energy: 0.43151143994709273
Energy: 0.4525972102302781
Energy: 0.45259731921900687
   minimum gb energy = 0.43151143994709273 eV
   minimum distance = 2.53251925613241 Angstroms
   sigma value = 233

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

Energy: 0.46303689819908034
Energy: 0.44367390027641923
Energy: 0.44367387652385265
Energy: 0.4352257072690941
Energy: 0.5007719804397617
Energy: 0.5007719636536624
Energy: 0.44743850338351626
Energy: 0.4464731702346635
Energy: 0.4464731702131622
Energy: 0.4458139011376398
Energy: 0.433825353868734
Energy: 0.43382535381316917
Energy: 0.43488102338218815
Energy: 0.49770802632111705
Energy: 0.4977080377982318
Energy: 0.4372590028061263
Energy: 0.46158804210034654
Energy: 0.46158842385095555
Energy: 0.43488102058825934
Energy: 0.459463403373702
Energy: 0.45946340432195204
Energy: 0.46979036688973996
Energy: 0.4543572087785053
Energy: 0.454357208800531
Energy: 0.4325673508953484
Energy: 0.44743852322094013
Energy: 0.44743833739540073
Energy: 0.4352257091414946
Energy: 0.47660241818017746
Energy: 0.4766026417079996
   minimum gb energy = 0.4325673508953484 eV
   minimum distance = 2.55029722957201 Angstroms
   sigma value = 89

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

Energy: 0.48548318043271105
Energy: 0.4525585222441762
Energy: 0.45255850170092415
Energy: 0.47432288427300373
Energy: 0.4456023652075438
Energy: 0.4456023398057296
Energy: 0.4364266564988235
Energy: 0.46894618934019416
Energy: 0.46894600693558053
Energy: 0.4903305795682903
Energy: 0.4325392143118315
Energy: 0.4325392117482865
Energy: 0.4275117944190081
Energy: 0.47359040832632665
Energy: 0.47359038710643414
Energy: 0.5256414197033557
Energy: 0.4271627524982146
Energy: 0.4271627802765754
Energy: 0.4332641340077265
Energy: 0.44701823653246475
Energy: 0.44701836699902375
Energy: 0.47225406446355983
Energy: 0.4351639704680315
Energy: 0.43516398306691906
Energy: 0.43326415737699747
Energy: 0.4267183839986847
Energy: 0.42671838376996424
Energy: 0.5149563809634684
Energy: 0.4317823974047294
Energy: 0.4317823975374842
   minimum gb energy = 0.42671838376996424 eV
   minimum distance = 2.55082662998819 Angstroms
   sigma value = 85

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

Energy: 0.477246526999115
Energy: 0.4438233456194155
Energy: 0.4438233450471367
Energy: 0.4317868445772204
Energy: 0.48365152678609924
Energy: 0.4836515511107709
Energy: 0.4342059330836809
Energy: 0.433741962383081
Energy: 0.4337418364345685
Energy: 0.4668949237958357
Energy: 0.4430799966624112
Energy: 0.44307999752022137
Energy: 0.4331190693062691
Energy: 0.43007185187754243
Energy: 0.4300718526364191
Energy: 0.4355590907397107
Energy: 0.47711648650072336
Energy: 0.47711648667099904
Energy: 0.4353261938638299
Energy: 0.4747626331952506
Energy: 0.47476265730892203
Energy: 0.429336218647984
Energy: 0.5011643978955402
Energy: 0.5011643277770008
Energy: 0.4418870965063956
Energy: 0.4461837750647863
Energy: 0.4461837557708009
Energy: 0.5016788489169669
Energy: 0.4308792849387976
Energy: 0.43087913693894675
   minimum gb energy = 0.429336218647984 eV
   minimum distance = 2.54621052298027 Angstroms
   sigma value = 69

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

Energy: 0.4041262801152443
Energy: 0.4041262822761123
Energy: 0.40412627757718883
Energy: 0.41228916574059504
Energy: 0.43740643011712516
Energy: 0.43740643013098707
Energy: 0.41105405879208146
Energy: 0.4142781985867975
Energy: 0.4142781984268787
Energy: 0.4122891892353687
Energy: 0.4142781984272841
Energy: 0.4142781984285159
Energy: 0.41228916589037856
Energy: 0.4142781994036992
Energy: 0.4142781984229026
Energy: 0.6017617871307137
Energy: 0.412289174816406
Energy: 0.4122891844245207
Energy: 0.4122891811718984
Energy: 0.4374064301104047
Energy: 0.4374064301148018
Energy: 0.4041262759798878
Energy: 0.4689208936088932
Energy: 0.46892089414598387
Energy: 0.40412627685328195
Energy: 0.4142782021008471
Energy: 0.414278198426598
Energy: 0.4122891713452987
Energy: 0.4142781984333185
Energy: 0.4142781984227622
   minimum gb energy = 0.4041262759798878 eV
   minimum distance = 2.57415769614315 Angstroms
   sigma value = 13

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

Energy: 0.5089758172948723
Energy: 0.4236869260693164
Energy: 0.4236869258757166
Energy: 0.4121554691337355
Energy: 0.44835880867059186
Energy: 0.44835880875754963
Energy: 0.4179184597521298
Energy: 0.4203539759065379
Energy: 0.4274668638048969
Energy: 0.4083577926633436
Energy: 0.4409160641733512
Energy: 0.4409160652892953
Energy: 0.40878320575890564
Energy: 0.4135447848601288
Energy: 0.41354457921148685
Energy: 0.40835777317299277
Energy: 0.4234018489411093
Energy: 0.42340185053493734
Energy: 0.4086760494669882
Energy: 0.4116625238156971
Energy: 0.4116625213483088
Energy: 0.45612141397996664
Energy: 0.41336532647346297
Energy: 0.4133653264506497
Energy: 0.503542926382245
Energy: 0.41201027116387534
Energy: 0.4120103632379855
Energy: 0.45077116622404634
Energy: 0.4100374700066439
Energy: 0.41003778024264265
   minimum gb energy = 0.40835777317299277 eV
   minimum distance = 2.5546098097672 Angstroms
   sigma value = 125

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

Energy: 0.42455741560327437
Energy: 0.41859421763062316
Energy: 0.4185942220894272
Energy: 0.41590128686605526
Energy: 0.4149669334040222
Energy: 0.4149669362192383
Energy: 0.4092236728848313
Energy: 0.4079057000443941
Energy: 0.40790573321000084
Energy: 0.4002014096443358
Energy: 0.4156589548722275
Energy: 0.4156588262557637
Energy: 0.5199001953132041
Energy: 0.4021104099339383
Energy: 0.40211028144750394
Energy: 0.40922369745447684
Energy: 0.43158669990171084
Energy: 0.4315859954367575
Energy: 0.4020944562340897
Energy: 0.4013921388774534
Energy: 0.40139211737339225
Energy: 0.4762500245418926
Energy: 0.40803172885599925
Energy: 0.408031876162524
Energy: 0.4074641792013063
Energy: 0.44061728540654677
Energy: 0.44061720875717303
Energy: 0.4020944604611694
Energy: 0.4916934424867459
Energy: 0.4916936892281346
   minimum gb energy = 0.4002014096443358 eV
   minimum distance = 2.52613188540988 Angstroms
   sigma value = 37

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

Energy: 0.4147385367830979
Energy: 0.4892228840853604
Energy: 0.48922444596158543
Energy: 0.3975174820259126
Energy: 0.40660197176132556
Energy: 0.4066019538582775
Energy: 0.3975174817430572
Energy: 0.4066020020930195
Energy: 0.4066019612326473
Energy: 0.3975454898933426
Energy: 0.4052218102562042
Energy: 0.4052218052284101
Energy: 0.47971671536055993
Energy: 0.4052218423630641
Energy: 0.40522187624741673
Energy: 0.3985218627389618
Energy: 0.40660202374651605
Energy: 0.4066020111396871
Energy: 0.400526146160882
Energy: 0.45361837609796707
Energy: 0.4536396484580072
Energy: 0.5527918816785011
Energy: 0.40522180026960447
Energy: 0.4052218600919549
Energy: 0.404256645152896
Energy: 0.3998768110961111
Energy: 0.3998768110460755
Energy: 0.4005261962156496
Energy: 0.4343958363496071
Energy: 0.4343958300030846
   minimum gb energy = 0.3975174817430572 eV
   minimum distance = 2.57681387784331 Angstroms
   sigma value = 37

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

Energy: 0.5034940367998143
Energy: 0.48514712863757586
Energy: 0.4851485540582331
Energy: 0.3896803878457601
Energy: 0.39846269253718863
Energy: 0.398462699804744
Energy: 0.3883263851196869
Energy: 0.39209712516581025
Energy: 0.39209709123494396
Energy: 0.390343706341659
Energy: 0.3957816831081893
Energy: 0.39578189247176176
Energy: 0.3916171564378557
Energy: 0.39209716000962835
Energy: 0.3920971902734597
Energy: 0.5000906310668622
Energy: 0.39834057972138004
Energy: 0.3983405672593832
Energy: 0.3928290671635173
Energy: 0.46912329597092967
Energy: 0.4691232996768847
Energy: 0.5786757570122311
Energy: 0.3935381195991805
Energy: 0.39353819907650567
Energy: 0.3929123009174169
Energy: 0.4230036673155563
Energy: 0.4117967957518467
Energy: 0.38881902161009096
Energy: 0.42115634561681126
Energy: 0.4211563000583655
   minimum gb energy = 0.3883263851196869 eV
   minimum distance = 2.56603978745936 Angstroms
   sigma value = 185

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

Energy: 0.4787562409957787
Energy: 0.4040374879272325
Energy: 0.4040373640417249
Energy: 0.39565069382334206
Energy: 0.397442749753913
Energy: 0.39744275921888017
Energy: 0.4738656477450032
Energy: 0.3978646986417919
Energy: 0.3978646934956234
Energy: 0.39514399348391066
Energy: 0.4403676227209218
Energy: 0.4330033019395571
Energy: 0.45342429858926797
Energy: 0.3914698776815419
Energy: 0.391469878857675
Energy: 0.39187173850451756
Energy: 0.4660730837902392
Energy: 0.4660743214846567
Energy: 0.3917248390193019
Energy: 0.3935963553564837
Energy: 0.39359613979459357
Energy: 0.4922875284280599
Energy: 0.3945808975088317
Energy: 0.3945808585884557
Energy: 0.39425417635848203
Energy: 0.4337281432076222
Energy: 0.43372767931160355
Energy: 0.4738652757061563
Energy: 0.3978646850042145
Energy: 0.39786467601751535
   minimum gb energy = 0.3914698776815419 eV
   minimum distance = 2.54933933926747 Angstroms
   sigma value = 173

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

Energy: 0.45399031080709307
Energy: 0.39856817171279163
Energy: 0.398568193525028
Energy: 0.37891947579815927
Energy: 0.395555868873124
Energy: 0.3955559151165854
Energy: 0.3761557713031436
Energy: 0.4273371935800856
Energy: 0.42733718287969996
Energy: 0.380808842437343
Energy: 0.4177626483904188
Energy: 0.41776264858921375
Energy: 0.377682137180119
Energy: 0.4646568700588958
Energy: 0.46465687004901235
Energy: 0.3761557727748334
Energy: 0.3785403011192423
Energy: 0.37854029833213254
Energy: 0.44061960852091475
Energy: 0.3785403053088009
Energy: 0.37854029932710803
Energy: 0.4539903170943994
Energy: 0.37854030088087953
Energy: 0.3785403003220723
Energy: 0.44061960845070686
Energy: 0.3785403003270197
Energy: 0.378540300027343
Energy: 0.3761557806297752
Energy: 0.3785403122953641
Energy: 0.3785403027650014
   minimum gb energy = 0.3761557713031436 eV
   minimum distance = 2.57806224678813 Angstroms
   sigma value = 25

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

Energy: 0.46174052805785165
Energy: 0.38362862392620267
Energy: 0.3836286247885303
Energy: 0.3705175018368879
Energy: 0.379668015314925
Energy: 0.37966801402143346
Energy: 0.4118092554686925
Energy: 0.376686439496396
Energy: 0.37668643934592877
Energy: 0.3681461697956254
Energy: 0.3730692233577229
Energy: 0.37306919189389426
Energy: 0.37390965593789016
Energy: 0.3780589354634205
Energy: 0.37805891133752206
Energy: 0.37966800739868184
Energy: 0.37306919193036614
Energy: 0.373069191872779
Energy: 0.37147388887769744
Energy: 0.37805884018092284
Energy: 0.3780589204389928
Energy: 0.4947189335260162
Energy: 0.37184606746052845
Energy: 0.3718460099872325
Energy: 0.36924486361526254
Energy: 0.376243129241916
Energy: 0.376243127852528
Energy: 0.3700241434069712
Energy: 0.3779237958378396
Energy: 0.37792380349598215
   minimum gb energy = 0.3681461697956254 eV
   minimum distance = 2.55366570470578 Angstroms
   sigma value = 269

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

Energy: 0.48364101762914874
Energy: 0.3772257054277828
Energy: 0.37722601690029717
Energy: 0.35791954668742043
Energy: 0.3755741078988945
Energy: 0.37557396519011926
Energy: 0.4665931763062467
Energy: 0.36421958509885793
Energy: 0.3642196003649931
Energy: 0.3654358853625949
Energy: 0.3691184810101222
Energy: 0.36911847849408913
Energy: 0.36543519760084897
Energy: 0.42640161502092094
Energy: 0.42640056977918717
Energy: 0.35878320504481315
Energy: 0.37557397933638054
Energy: 0.3755739652946532
Energy: 0.4515138708061618
Energy: 0.3600803444230942
Energy: 0.3600803433583077
Energy: 0.4844513543521566
Energy: 0.36911848103613737
Energy: 0.36911847836484185
Energy: 0.3587832049355061
Energy: 0.37442527655928326
Energy: 0.37442527658314856
Energy: 0.35878320577562367
Energy: 0.3755739536006396
Energy: 0.3755739625335768
   minimum gb energy = 0.35791954668742043 eV
   minimum distance = 2.57122637240839 Angstroms
   sigma value = 65

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

Energy: 0.5147474182023483
Energy: 0.37366893590832445
Energy: 0.3736689098568088
Energy: 0.36391385849149016
Energy: 0.36632040216176054
Energy: 0.3663204022809175
Energy: 0.3637500615833172
Energy: 0.3663204022534081
Energy: 0.366320402156481
Energy: 0.4254187241168842
Energy: 0.36011998943034285
Energy: 0.36011948085573203
Energy: 0.3630294243330627
Energy: 0.3845756215810597
Energy: 0.38457564941740324
Energy: 0.4610489297423873
Energy: 0.36146539039376
Energy: 0.3614653904815173
Energy: 0.36195690079640347
Energy: 0.36411275270419463
Energy: 0.3641127611941705
Energy: 0.47534780559841816
Energy: 0.3614653908000859
Energy: 0.3614653904628998
Energy: 0.36195690338112635
Energy: 0.3660939306904239
Energy: 0.36609393067875323
Energy: 0.43505869434075883
Energy: 0.3610086886443739
Energy: 0.3610086886896672
   minimum gb energy = 0.36011948085573203 eV
   minimum distance = 2.56423955193787 Angstroms
   sigma value = 79

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

Energy: 0.36241949084705744
Energy: 0.3552085698360774
Energy: 0.3552086280913213
Energy: 0.3452878303718897
Energy: 0.3527991653015572
Energy: 0.3527991581901399
Energy: 0.45312412623576
Energy: 0.3477411347478261
Energy: 0.3477411214571609
Energy: 0.34774113725706557
Energy: 0.3932559133478596
Energy: 0.3932559082320967
Energy: 0.3477411428369991
Energy: 0.35520860910489516
Energy: 0.3552085647589119
Energy: 0.3444415486406341
Energy: 0.3759493874767137
Energy: 0.3759493861243973
Energy: 0.34528783114187234
Energy: 0.3477411056456841
Energy: 0.34774112455953365
Energy: 0.3624194657941378
Energy: 0.36241948425926984
Energy: 0.36241948583245925
Energy: 0.34528783078429265
Energy: 0.34528783503354404
Energy: 0.3452878317427321
Energy: 0.34196555795872113
Energy: 0.34528784243301996
Energy: 0.3452878303162763
   minimum gb energy = 0.34196555795872113 eV
   minimum distance = 2.5718023170771 Angstroms
   sigma value = 41

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

Energy: 0.43891067424661395
Energy: 0.35066215460332756
Energy: 0.3506621535302717
Energy: 0.3319732412719855
Energy: 0.34592231125297523
Energy: 0.3459207626060115
Energy: 0.3344478958361161
Energy: 0.34592261737611
Energy: 0.34592077136128
Energy: 0.4476394423375005
Energy: 0.34236406817218495
Energy: 0.34236407689337156
Energy: 0.42492516629257915
Energy: 0.34236406921704504
Energy: 0.3423640750781415
Energy: 0.3390112369522175
Energy: 0.34236407630986626
Energy: 0.34236407507640093
Energy: 0.3386622256021753
Energy: 0.34592076619539625
Energy: 0.34592076359137874
Energy: 0.4967288216120078
Energy: 0.3459207616216886
Energy: 0.34592076164675156
Energy: 0.3783353493428623
Energy: 0.334218625439495
Energy: 0.3342185994655845
Energy: 0.3368942356150707
Energy: 0.3392134449530308
Energy: 0.3392134209425764
   minimum gb energy = 0.3319732412719855 eV
   minimum distance = 2.56861982285469 Angstroms
   sigma value = 101

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

Energy: 0.4860055244428846
Energy: 0.3324450539876799
Energy: 0.33244505392879803
Energy: 0.3654198824785227
Energy: 0.3237839570276138
Energy: 0.3237839580982846
Energy: 0.3213401976978409
Energy: 0.32884024317386046
Energy: 0.3288402392102335
Energy: 0.3188011250632284
Energy: 0.32884023750510705
Energy: 0.3288402395673253
Energy: 0.32134019764275973
Energy: 0.3288402396287409
Energy: 0.3288402443629284
Energy: 0.32134019763452487
Energy: 0.3288402678217473
Energy: 0.3288402373734075
Energy: 0.319963418421825
Energy: 0.3288402877291409
Energy: 0.3288402375076409
Energy: 0.486005524420714
Energy: 0.32884023747786884
Energy: 0.3288402390734663
Energy: 0.4630220131116167
Energy: 0.32884024299211856
Energy: 0.3288402434119217
Energy: 0.32134019763072424
Energy: 0.34477815714035215
Energy: 0.3447781621486786
   minimum gb energy = 0.3188011250632284 eV
   minimum distance = 2.58052655981377 Angstroms
   sigma value = 15

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

Energy: 0.4697348701361139
Energy: 0.3266536987550795
Energy: 0.3266537119266447
Energy: 0.379865213981632
Energy: 0.32274949331037567
Energy: 0.32274717836590755
Energy: 0.31166106205972155
Energy: 0.3227471773472106
Energy: 0.32274719229860993
Energy: 0.31720729434938233
Energy: 0.3227492992940045
Energy: 0.32274718548109765
Energy: 0.4592454789243011
Energy: 0.31547932090563924
Energy: 0.3154793262921268
Energy: 0.3139845160460616
Energy: 0.31975887072103093
Energy: 0.31975878856260215
Energy: 0.3096000855595478
Energy: 0.32274731720034133
Energy: 0.3227471925927752
Energy: 0.511194214516257
Energy: 0.32253447831522164
Energy: 0.32253798288304747
Energy: 0.31318718031985054
Energy: 0.3227471927025391
Energy: 0.32274722217378277
Energy: 0.313358315738671
Energy: 0.3238095716600721
Energy: 0.3238089966572952
   minimum gb energy = 0.3096000855595478 eV
   minimum distance = 2.57379385566635 Angstroms
   sigma value = 145

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

Energy: 0.4431538247068222
Energy: 0.3120495722555487
Energy: 0.3120496046792344
Energy: 0.3044098847518689
Energy: 0.3141947069224129
Energy: 0.31419475050446327
Energy: 0.30018959736002687
Energy: 0.3044098826884213
Energy: 0.30440988360133275
Energy: 0.30289497257014886
Energy: 0.3052507246788517
Energy: 0.30525074070540237
Energy: 0.3001895835943266
Energy: 0.30440988211555575
Energy: 0.30440988368770405
Energy: 0.3001895786108162
Energy: 0.31419471296367324
Energy: 0.31419471976283514
Energy: 0.3044098811822528
Energy: 0.30893243860995684
Energy: 0.30893243528169745
Energy: 0.44315379670451377
Energy: 0.3141947293018534
Energy: 0.31419475085524157
Energy: 0.373237544956973
Energy: 0.3089324352768679
Energy: 0.30893243533855475
Energy: 0.3347220674677057
Energy: 0.2993450709942482
Energy: 0.2993450709610022
   minimum gb energy = 0.2993450709610022 eV
   minimum distance = 2.56823209597666 Angstroms
   sigma value = 85

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

Energy: 0.3096673787920931
Energy: 0.3069601529898519
Energy: 0.3069601540842897
Energy: 0.2928334500660041
Energy: 0.3317157746933297
Energy: 0.3317157057696457
Energy: 0.2933400702618827
Energy: 0.3006656853300432
Energy: 0.3006659700046937
Energy: 0.3579298688046778
Energy: 0.30823360914609227
Energy: 0.30823325055581985
Energy: 0.357929868038338
Energy: 0.30287425788307604
Energy: 0.3028742439325002
Energy: 0.2922304205995686
Energy: 0.30287422890568144
Energy: 0.3028742591942669
Energy: 0.2912798296738873
Energy: 0.3028742369990742
Energy: 0.302874231744318
Energy: 0.5209263914945531
Energy: 0.3022490776299542
Energy: 0.3022492791351019
Energy: 0.3651207996269772
Energy: 0.3274017064160602
Energy: 0.32740168046142676
Energy: 0.2930777710110993
Energy: 0.30438981336406545
Energy: 0.3043897149475015
   minimum gb energy = 0.2912798296738873 eV
   minimum distance = 2.57710711913371 Angstroms
   sigma value = 197

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

Energy: 0.4478092757867477
Energy: 0.3025984419155794
Energy: 0.3025984444709602
Energy: 0.32185774537530737
Energy: 0.2913356222118163
Energy: 0.2913357391060246
Energy: 0.30256553722526774
Energy: 0.30891125459441654
Energy: 0.3089111860619218
Energy: 0.2743830110066473
Energy: 0.29596248051522517
Energy: 0.2959624679951855
Energy: 0.2753928165951243
Energy: 0.2976054348663261
Energy: 0.2976054378445539
Energy: 0.3014923734359633
Energy: 0.29133697377210127
Energy: 0.29133684509984525
Energy: 0.4160220269913044
Energy: 0.2997198250551934
Energy: 0.2997198580139852
Energy: 0.3173525757979954
Energy: 0.29133562442666444
Energy: 0.2913359582293227
Energy: 0.32185774626570185
Energy: 0.27934113530956267
Energy: 0.27934084947642457
Energy: 0.2831040987671183
Energy: 0.2913356096108375
Energy: 0.29133675672174336
   minimum gb energy = 0.2743830110066473 eV
   minimum distance = 2.58604881904629 Angstroms
   sigma value = 113

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

Energy: 0.4351798561467321
Energy: 0.28214020031350007
Energy: 0.28214018120518464
Energy: 0.44613378302238976
Energy: 0.26979535044024755
Energy: 0.2697965224998083
Energy: 0.2623783751901406
Energy: 0.28198689916343844
Energy: 0.2819868261001462
Energy: 0.2623784430468906
Energy: 0.2819870415602724
Energy: 0.2819868708177835
Energy: 0.2584091965790596
Energy: 0.2827460030237714
Energy: 0.28274486513200386
Energy: 0.2669069190542909
Energy: 0.2697958631083781
Energy: 0.26979536782168945
Energy: 0.41225555836561245
Energy: 0.27559113369529015
Energy: 0.2755911203553092
Energy: 0.4671074118840022
Energy: 0.2819867967314922
Energy: 0.28198679252331627
Energy: 0.36263874855487954
Energy: 0.2819868449238677
Energy: 0.2819867928847033
Energy: 0.31686901545618273
Energy: 0.27055647166071595
Energy: 0.27055640622283655
   minimum gb energy = 0.2584091965790596 eV
   minimum distance = 2.58160577797231 Angstroms
   sigma value = 145

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

Energy: 0.4795624280409488
Energy: 0.2718636024196184
Energy: 0.2718636027416216
Energy: 0.38396874092187383
Energy: 0.26147206725445965
Energy: 0.26147206580400745
Energy: 0.2698782234246685
Energy: 0.2622784604621983
Energy: 0.26227816603289084
Energy: 0.2532640624254943
Energy: 0.2614720740758673
Energy: 0.26147337601765613
Energy: 0.24747420341111107
Energy: 0.2730850602098676
Energy: 0.27308506876439975
Energy: 0.3203662782682776
Energy: 0.30068682631942606
Energy: 0.300684873751713
Energy: 0.2850538835606586
Energy: 0.26147227472038803
Energy: 0.26147206945621376
Energy: 0.457231208077088
Energy: 0.2670651298785898
Energy: 0.2670642136484332
Energy: 0.47362488237909084
Energy: 0.25271627789351375
Energy: 0.25271619964052006
Energy: 0.25528339092003005
Energy: 0.27308506595098314
Energy: 0.2730850589829155
   minimum gb energy = 0.24747420341111107 eV
   minimum distance = 2.58844116176562 Angstroms
   sigma value = 181

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

Energy: 0.4249008945355194
Energy: 0.2554970372975374
Energy: 0.2554973844152168
Energy: 0.32200038875833903
Energy: 0.28526854778036637
Energy: 0.28526853128660556
Energy: 0.23911885678768047
Energy: 0.28981586507460055
Energy: 0.2898157454252424
Energy: 0.23911887522975694
Energy: 0.24934647513351152
Energy: 0.24934647627881784
Energy: 0.23911885590882362
Energy: 0.25383956481758185
Energy: 0.2538426626379386
Energy: 0.2391188559124844
Energy: 0.25906432408487134
Energy: 0.25906515335292585
Energy: 0.31980022447353174
Energy: 0.253839419974691
Energy: 0.2538395798330274
Energy: 0.4397504456200141
Energy: 0.2538394336558921
Energy: 0.25383955260201957
Energy: 0.31980022653926427
Energy: 0.2538393938454233
Energy: 0.25383939353471185
Energy: 0.23448431063101247
Energy: 0.25384083546617936
Energy: 0.2538431395846668
   minimum gb energy = 0.23448431063101247 eV
   minimum distance = 2.58423185567701 Angstroms
   sigma value = 55

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

Energy: 0.40225635102194357
Energy: 0.2463833431045094
Energy: 0.246383346863198
Energy: 0.30599534770665177
Energy: 0.24246154402155812
Energy: 0.24246106658848088
Energy: 0.3277479954471659
Energy: 0.23185968286749725
Energy: 0.23185969834663137
Energy: 0.224094037865277
Energy: 0.24671452344361217
Energy: 0.2467142834341756
Energy: 0.23217011692790018
Energy: 0.2387715309112659
Energy: 0.2387708928639653
Energy: 0.22726240125541136
Energy: 0.23846318660739996
Energy: 0.23846315077769814
Energy: 0.41587826383732285
Energy: 0.2292688122927845
Energy: 0.2292689202254133
Energy: 0.44424934718547787
Energy: 0.24671461129787092
Energy: 0.24671448151612238
Energy: 0.3080017675640116
Energy: 0.23502888980730707
Energy: 0.23502943791949485
Energy: 0.2269520408304706
Energy: 0.2467163106125799
Energy: 0.24671436961612556
   minimum gb energy = 0.224094037865277 eV
   minimum distance = 2.58519692226579 Angstroms
   sigma value = 265

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

Energy: 0.24220061041874416
Energy: 0.23466738238706428
Energy: 0.23466801177045934
Energy: 0.254329931256144
Energy: 0.22316596726071788
Energy: 0.22316596049216794
Energy: 0.22094280602810998
Energy: 0.2289655815703502
Energy: 0.22896557703599354
Energy: 0.21369496864653714
Energy: 0.23230251516849146
Energy: 0.23229342777224046
Energy: 0.2209428010275125
Energy: 0.22896607422218299
Energy: 0.2289655517541006
Energy: 0.21690185527684633
Energy: 0.23230288646733477
Energy: 0.23230252310292293
Energy: 0.288378410120852
Energy: 0.23606325814047055
Energy: 0.23606323843859492
Energy: 0.422412028067265
Energy: 0.23230193431287946
Energy: 0.23230191781372708
Energy: 0.28929730573405915
Energy: 0.2360632456982484
Energy: 0.23606324160946432
Energy: 0.21869309862944925
Energy: 0.23229342741447567
Energy: 0.23229342423857272
   minimum gb energy = 0.21369496864653714 eV
   minimum distance = 2.58235862606742 Angstroms
   sigma value = 39

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

Energy: 0.23548158381362388
Energy: 0.22745922782705005
Energy: 0.22745920208276382
Energy: 0.2796764225973123
Energy: 0.22340345286502936
Energy: 0.22340343908940533
Energy: 0.24463403692041283
Energy: 0.22039923160735936
Energy: 0.2203991962579442
Energy: 0.206100241086926
Energy: 0.22039916637167184
Energy: 0.22039932799249293
Energy: 0.2081989692301831
Energy: 0.2265691380827155
Energy: 0.22656924015927513
Energy: 0.21138578419843215
Energy: 0.26104051607271456
Energy: 0.26104061919007343
Energy: 0.2796769913013368
Energy: 0.22039930119679013
Energy: 0.22039914295440574
Energy: 0.22656912343918195
Energy: 0.22039932708343266
Energy: 0.2203992698234632
Energy: 0.4570671694309585
Energy: 0.21314598286767683
Energy: 0.21314643754851445
Energy: 0.26765089676162984
Energy: 0.22039915062806112
Energy: 0.22040081848158496
   minimum gb energy = 0.206100241086926 eV
   minimum distance = 2.58086910124017 Angstroms
   sigma value = 91

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

Energy: 0.22927722064849468
Energy: 0.21811342567729913
Energy: 0.21811261902323198
Energy: 0.2703871774856989
Energy: 0.21539847137115242
Energy: 0.2153988156410105
Energy: 0.2029837045176051
Energy: 0.2182530525186606
Energy: 0.2182483600586244
Energy: 0.2007389591855368
Energy: 0.2212292980632719
Energy: 0.22122932752648305
Energy: 0.19923481320621939
Energy: 0.21539826266963658
Energy: 0.21539825388371983
Energy: 0.3096489223528699
Energy: 0.20641698225868646
Energy: 0.20641708988222116
Energy: 0.20626210603051934
Energy: 0.21056009754896798
Energy: 0.21056031108500015
Energy: 0.22122930974903923
Energy: 0.2182483683434483
Energy: 0.2182486720694973
Energy: 0.26548033051330894
Energy: 0.22122924159325708
Energy: 0.22122930542815408
Energy: 0.20641698304609937
Energy: 0.24771064434257986
Energy: 0.24771189619560507
   minimum gb energy = 0.19923481320621939 eV
   minimum distance = 2.57945457766724 Angstroms
   sigma value = 105

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

Energy: 0.009207407477795262
Energy: 0.009207407471156384
Energy: 0.009207407474654714
Energy: 0.009207407466962364
Energy: 0.16766103687995093
Energy: 0.1676610368768104
Energy: 0.009207407459607922
Energy: 0.1676610368750612
Energy: 0.16766103687961298
Energy: 0.009207407468015839
Energy: 0.16766103687995093
Energy: 0.16766103687541897
Energy: 0.009207407461357087
Energy: 0.16766103687995093
Energy: 0.16766103687820175
Energy: 0.009207407461019178
Energy: 0.16766103687995093
Energy: 0.1676610368740077
Energy: 0.009207407460661395
Energy: 0.1676610368806466
Energy: 0.16766103687995093
Energy: 0.00920740747429693
Energy: 0.009207407461357087
Energy: 0.009207407460661395
Energy: 0.009207407463821819
Energy: 0.16766103687855952
Energy: 0.16766103688170006
Energy: 0.009207407459965705
Energy: 0.1676610368803087
Energy: 0.16766103688100437
   minimum gb energy = 0.009207407459607922 eV
   minimum distance = 2.82238628765994 Angstroms
   sigma value = 1