Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080000087618828
cohesive_energy=3.810299677720723
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.141880900111604e-19, 1.7529574770257398e-19, 2.26714402417536e-19, 2.7172274841986397e-19, 3.11852466571662e-19, 3.47991162728166e-19, 3.8071241612434797e-19, 4.1042157744861e-19, 4.37419855908144e-19, 4.61937964938246e-19, 4.841617570284599e-19, 5.042402346057479e-19, 5.222999696241959e-19, 5.38448307918282e-19, 5.527749713795099e-19, 5.65361671016214e-19, 5.76277300423656e-19, 5.855843444905619e-19, 5.933388793991219e-19, 5.9959057262499e-19, 6.043858872905519e-19, 6.07766479988292e-19, 6.09769200780792e-19, 6.10429297554e-19, 6.097067158920659e-19, 6.07341903180282e-19, 6.02990391442338e-19, 5.962388191066619e-19, 5.8657769400364195e-19, 5.73385371599286e-19, 5.558976136391759e-19, 5.33165931555984e-19, 5.04006316817184e-19, 4.6693835821296e-19, 4.2008430472826397e-19, 3.6105851535507e-19, 2.8678961748599997e-19, 1.9329299783229597e-19, 7.53426766491768e-20, -7.472215363882859e-20, -2.6935152700154396e-19, -5.29029111486996e-19, -8.90515408003344e-19, -1.40992344880317e-18, -2.16825768232488e-18, -3.27611475943686e-18, -4.89290324433894e-18, -7.2465648067503e-18, -1.0675014520547881e-17, -1.5688129077735838e-17, -2.3074547882868e-17, -3.41226772979418e-17, -5.08197610891728e-17, -7.95270813641946e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011537240566846733
Energy: 0.01213510465029161
Energy: 0.012075495024721416
Energy: 0.011672156928362574
Energy: 0.27103135982080134
Energy: 0.011959705220552992
Energy: 0.012135104648595582
Energy: 0.06926068895454957
Energy: 0.06918963696741003
Energy: 0.06915856384626716
Energy: 0.0691703066098383
Energy: 0.06907162987061236
Energy: 0.012075495023982825
Energy: 0.06918963696259549
Energy: 0.06928858932625905
Energy: 0.012311774684726924
Energy: 0.06910369431195997
Energy: 0.07018692664993847
Energy: 0.011672156928608771
Energy: 0.06915856384722459
Energy: 0.012311774686176752
Energy: 0.011835258267611797
Energy: 0.06912274423051014
Energy: 0.012018101327435885
Energy: 0.2710313598203363
Energy: 0.06917030660888086
Energy: 0.06910369431146755
Energy: 0.06912274423267122
Energy: 0.06920720285167992
Energy: 0.0692006308650775
Energy: 0.011959705220306793
Energy: 0.06907162986243313
Energy: 0.070186926647285
Energy: 0.012018101327682083
Energy: 0.06920063086628113
Energy: 0.012250560735068238

minimum gb energy = 0.011537240566846733 eV
minimum distance =  2.8759995557107 Angstroms
sigma value = 1


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

Energy: 0.8482393518179061
Energy: 0.5406643179850754
Energy: 0.5571730420746894
Energy: 0.5127498746437948
Energy: 0.7644392055564587
Energy: 0.5560838648302863
Energy: 0.760777357640167
Energy: 0.5203157772853575
Energy: 0.5203304686005864
Energy: 0.5019061150367974
Energy: 0.5234578507617837
Energy: 0.5123442729459959
Energy: 0.7586218058114914
Energy: 0.5129579443311445
Energy: 0.5177415274320584
Energy: 0.5139508102792292
Energy: 0.5137044438269612
Energy: 0.4936343307843868
Energy: 0.8051652065545206
Energy: 0.514510822170158
Energy: 0.5204860642683031
Energy: 0.5108283575351931
Energy: 0.5147635767715979
Energy: 0.5115065412473323
Energy: 0.7428358746010628
Energy: 0.5211853938157106
Energy: 0.5200087103624195
Energy: 0.5103829717162031
Energy: 0.5175755871963222
Energy: 0.5171514792432091
Energy: 0.7398659800706623
Energy: 0.5342132527021419
Energy: 0.519912983688545
Energy: 0.5142644291744779
Energy: 0.48596309462684983
Energy: 0.5140952675920543
Energy: 0.7423802835002554
Energy: 0.49294110823282683
Energy: 0.49564089997938876
Energy: 0.5151249018887446
Energy: 0.48725481306623875
Energy: 0.5223532766120009
Energy: 0.7122680788688177
Energy: 0.5136152929026662
Energy: 0.5284790456794561
Energy: 0.4902370395520386
Energy: 0.5127987328237154
Energy: 0.4924865003497913
Energy: 0.618518690279802
Energy: 0.5150203814038493
Energy: 0.5137371472721196
Energy: 0.4910947958244133
Energy: 0.5194332748689932
Energy: 0.5179406327965035
Energy: 0.6246780896876977
Energy: 0.5116365919951518
Energy: 0.5179341718275178
Energy: 0.4881233642054035
Energy: 0.5118952765475366
Energy: 0.5200364118091895
Energy: 0.6037490845677604
Energy: 0.5118333063802845
Energy: 0.5127060698622262
Energy: 0.5420019196698465
Energy: 0.5104708644918299
Energy: 0.5145365425385805
Energy: 0.5554472942629722
Energy: 0.512434993656184
Energy: 0.49398319308335187
Energy: 0.5130059028098194
Energy: 0.5118285886328576
Energy: 0.5193293050117268
Energy: 0.5518109984191885
Energy: 0.5121094954882587
Energy: 0.5120758344421135
Energy: 0.5223180000339355
Energy: 0.5096441295267146
Energy: 0.5124650512183899
Energy: 0.589673522958753
Energy: 0.5110179984720329
Energy: 0.5103176666903236
Energy: 0.53799666975478
Energy: 0.5076161801973068
Energy: 0.5127300782986945
Energy: 0.5795651272831752
Energy: 0.510153367725643
Energy: 0.5167197614148238
Energy: 0.519420425992089
Energy: 0.5104606816059204
Energy: 0.5196047949374978
Energy: 0.5745362319905044
Energy: 0.5208411788694981
Energy: 0.5164598370489406
Energy: 0.5144285138001218
Energy: 0.5161704397312544
Energy: 0.5154925017058339
Energy: 0.7136891962345984
Energy: 0.5136421519508054
Energy: 0.5193362220147172
Energy: 0.5104501815820708
Energy: 0.5141589437069882
Energy: 0.5105360087960868
Energy: 0.6812478328255893
Energy: 0.48946434971166525
Energy: 0.516780116950923
Energy: 0.5180723381561257
Energy: 0.4875525276418579
Energy: 0.525809729459814
Energy: 0.681555064924608
Energy: 0.5277562044201487
Energy: 0.5258603478717521
Energy: 0.5157892047918979
Energy: 0.5175467344963256
Energy: 0.5252530820588105
Energy: 0.7167700171751727
Energy: 0.520415556775932
Energy: 0.5267029525149637
Energy: 0.4890835956496386
Energy: 0.5164345780505954
Energy: 0.5261299966538137
Energy: 0.7640015922947215
Energy: 0.5136553771889976
Energy: 0.5114521560751497
Energy: 0.5115870739445473
Energy: 0.5066255741903343
Energy: 0.5140591401380631
Energy: 0.7685062243660474
Energy: 0.510071374454989
Energy: 0.5191355722934898
Energy: 0.5105198900323102
Energy: 0.5201571375216593
Energy: 0.48952735966433825
Energy: 0.7610861862425885
Energy: 0.5205546933092876
Energy: 0.5203951570884409
Energy: 0.5075510046220321
Energy: 0.5242137434591022
Energy: 0.5115660221142088

minimum gb energy = 0.48596309462684983 eV
minimum distance =  2.69713239916425 Angstroms
sigma value = 33


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

Energy: 0.9724813516777083
Energy: 0.5794472025620708
Energy: 0.5547195373252707
Energy: 0.556731221863634
Energy: 0.5391847708430537
Energy: 0.5806194566609921
Energy: 0.6831971306174396
Energy: 0.519162669433501
Energy: 0.5263121375136137
Energy: 0.5232473012288298
Energy: 0.5320339114600415
Energy: 0.5281161400840709
Energy: 0.7261305606425109
Energy: 0.5260417340408765
Energy: 0.53723012360916
Energy: 0.5417504865413978
Energy: 0.5469578210572089
Energy: 0.539117887989782
Energy: 0.7564366832784705
Energy: 0.5911578303738907
Energy: 0.5385230229696415
Energy: 0.5494705575926565
Energy: 0.5492606234811162
Energy: 0.5531763934484321
Energy: 0.7312240638085948
Energy: 0.5235683142083424
Energy: 0.5254164719613249
Energy: 0.5168309350428024
Energy: 0.5432968278306806
Energy: 0.5415956000739242
Energy: 0.7761133575826635
Energy: 0.5324992962228515
Energy: 0.5423273427079613
Energy: 0.5297597865376161
Energy: 0.5419499498502033
Energy: 0.5348918258459461
Energy: 0.7715388323894783
Energy: 0.5785662967988181
Energy: 0.5700417835147219
Energy: 0.5867703126840838
Energy: 0.5770136286524894
Energy: 0.5742115070116571
Energy: 0.732491232004144
Energy: 0.5612020066583501
Energy: 0.5612154472241166
Energy: 0.5180259684447093
Energy: 0.5606318907153304
Energy: 0.5600740198212828
Energy: 0.6456989685094136
Energy: 0.5478828119922898
Energy: 0.5790967632490358
Energy: 0.5926912027801919
Energy: 0.5250007544483603
Energy: 0.5809964509287482
Energy: 0.6444802042470632
Energy: 0.5808983905133152
Energy: 0.5807140478967385
Energy: 0.578700333977808
Energy: 0.574297721467005
Energy: 0.5807854062480279
Energy: 0.6543951848855958
Energy: 0.5268379110530743
Energy: 0.5267296569576548
Energy: 0.548555980917854
Energy: 0.5264817105703932
Energy: 0.526546871682409
Energy: 0.6019034198977976
Energy: 0.5347990400174443
Energy: 0.5727573168659633
Energy: 0.5939360119315588
Energy: 0.5351278101982092
Energy: 0.5746336104162202
Energy: 0.5954215539165572
Energy: 0.5814791288312761
Energy: 0.5665130672008196
Energy: 0.5934394149147735
Energy: 0.5808542209999502
Energy: 0.574289885257873
Energy: 0.6013721209948734
Energy: 0.55381146913506
Energy: 0.5535446784050578
Energy: 0.6038157210687525
Energy: 0.5436154516583324
Energy: 0.5531733973473055
Energy: 0.6498825578937122
Energy: 0.5812368822175554
Energy: 0.580563306697796
Energy: 0.5903029897314029
Energy: 0.5843896632637998
Energy: 0.5812795439109444
Energy: 0.6457924107137537
Energy: 0.5660508923448266
Energy: 0.585194124853866
Energy: 0.5950873550381024
Energy: 0.5589283114311008
Energy: 0.592288324783258
Energy: 0.7343730783947229
Energy: 0.5741512829558975
Energy: 0.5744187370980699
Energy: 0.5780229282339924
Energy: 0.5745242184818246
Energy: 0.5749230257479384
Energy: 0.6852968123453281
Energy: 0.5686433495459211
Energy: 0.5700382258887906
Energy: 0.5521061761622773
Energy: 0.5585790369955064
Energy: 0.5596557219946918
Energy: 0.6898178740187012
Energy: 0.5880398251480536
Energy: 0.58251965900847
Energy: 0.5244219959600405
Energy: 0.5922757438119942
Energy: 0.5825874932099929
Energy: 0.74725278094564
Energy: 0.5832639914775296
Energy: 0.58097442932006
Energy: 0.5724930975038257
Energy: 0.5796810068305331
Energy: 0.5794915167520582
Energy: 0.8011272219371159
Energy: 0.5859225840302053
Energy: 0.5265093386210121
Energy: 0.5090740595137684
Energy: 0.584937982334981
Energy: 0.5264519249283943
Energy: 0.6528794174783149
Energy: 0.5756966387940629
Energy: 0.57157041831973
Energy: 0.5352099529520254
Energy: 0.5842111430253106
Energy: 0.5728064592184184
Energy: 0.7454573753271734
Energy: 0.5713330382741649
Energy: 0.5679296497379367
Energy: 0.5826574735976425
Energy: 0.5976247130427188
Energy: 0.5802832497361379
Energy: 0.7561709807666803
Energy: 0.5975260486790219
Energy: 0.6193303297664174
Energy: 0.5502035385022238
Energy: 0.6018390795050684
Energy: 0.5728398153696862
Energy: 0.7310363230494816
Energy: 0.5596516706000785
Energy: 0.5785907274647869
Energy: 0.5802895955107319
Energy: 0.5768012348079522
Energy: 0.5824651581809563
Energy: 0.7778414934035117
Energy: 0.5870685919334196
Energy: 0.5910577690707519
Energy: 0.573075362773972
Energy: 0.5967686408512215
Energy: 0.5818539263768955
Energy: 0.7693608209545566
Energy: 0.582405287180971
Energy: 0.5819823360278806
Energy: 0.5662155279573656
Energy: 0.5784797059660781
Energy: 0.5735229864283065
Energy: 0.7325732767213866
Energy: 0.561306718574979
Energy: 0.5593971467060433
Energy: 0.5612392007527245
Energy: 0.5486921978596786
Energy: 0.5737458442466454
Energy: 0.6502902310471202
Energy: 0.5623738228970209
Energy: 0.5599878236847597
Energy: 0.5809907911790231
Energy: 0.5500495850498353
Energy: 0.5792521889136358
Energy: 0.6484160495862222
Energy: 0.579100923351459
Energy: 0.578766311465348
Energy: 0.5917240389701653
Energy: 0.5722602677733095
Energy: 0.5784940585122768
Energy: 0.6942785893456859
Energy: 0.509095833013457
Energy: 0.514434376555606
Energy: 0.5927813799089697
Energy: 0.5090149405462258
Energy: 0.5271555174134182
Energy: 0.5976155113277617
Energy: 0.5253126170288165
Energy: 0.5101807523757731
Energy: 0.5988051120089674
Energy: 0.5361705244546046
Energy: 0.5730051479699696
Energy: 0.595673264228202
Energy: 0.5789641550237175
Energy: 0.5784602390153033
Energy: 0.5963836628958036
Energy: 0.5732645722962788
Energy: 0.5764243841126834
Energy: 0.5988331527036818
Energy: 0.5533236558328949
Energy: 0.5506099477589244
Energy: 0.5990684441867291
Energy: 0.5542649659408604
Energy: 0.5512782518085889
Energy: 0.6438076106718844
Energy: 0.583072934695969
Energy: 0.5833795544784286
Energy: 0.5397396409383963
Energy: 0.5882400292662893
Energy: 0.5776262717268627
Energy: 0.6465445861909085
Energy: 0.5382343132717005
Energy: 0.5833626978768547
Energy: 0.5973971372485426
Energy: 0.5397414158894157
Energy: 0.5254792270424349
Energy: 0.6614266515089828
Energy: 0.5300560279732056
Energy: 0.5118884388401034
Energy: 0.5301798253501976
Energy: 0.5305512156792731
Energy: 0.5341458723777975
Energy: 0.691558890303743
Energy: 0.539020360419885
Energy: 0.5388394267126291
Energy: 0.5242827146569025
Energy: 0.5292735979041028
Energy: 0.5312727822583672
Energy: 0.6840512182453735
Energy: 0.5232025331339225
Energy: 0.5432414213813431
Energy: 0.5528870081559656
Energy: 0.5350516228175325
Energy: 0.5596217642291021
Energy: 0.7309074140867058
Energy: 0.5514144895334178
Energy: 0.5362232993084604
Energy: 0.5325192589479302
Energy: 0.545091161403451
Energy: 0.5355783337340735
Energy: 0.8367423842453492
Energy: 0.5437891066508647
Energy: 0.518708634279169
Energy: 0.509956243239252
Energy: 0.5304606569377832
Energy: 0.5397176822180556

minimum gb energy = 0.5090149405462258 eV
minimum distance =  2.63583860713177 Angstroms
sigma value = 51


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

Energy: 0.8817140984717258
Energy: 0.5372039230489543
Energy: 0.5379348352917174
Energy: 0.525159163339675
Energy: 0.5519679542912542
Energy: 0.5842990183372486
Energy: 0.7061144972450942
Energy: 0.5272062240699759
Energy: 0.5275953182508337
Energy: 0.5004134447948514
Energy: 0.5282229474928083
Energy: 0.5083246601317314
Energy: 0.749942657331023
Energy: 0.5409373706776305
Energy: 0.5535156908419662
Energy: 0.5240448985728278
Energy: 0.5412829996861914
Energy: 0.5332149877614607
Energy: 0.7489405892172585
Energy: 0.5415502814135061
Energy: 0.5414497622012979
Energy: 0.5075841860979771
Energy: 0.5271461314500806
Energy: 0.5379751673811
Energy: 0.6633418008753118
Energy: 0.5057682156028157
Energy: 0.5064821214889739
Energy: 0.5060240972628172
Energy: 0.51469241862907
Energy: 0.5067679995181226
Energy: 0.6659682659451461
Energy: 0.5060289276638187
Energy: 0.5460607398358637
Energy: 0.5113465972686215
Energy: 0.511078282193294
Energy: 0.5458373357033752
Energy: 0.6656579873587616
Energy: 0.5067214710496901
Energy: 0.5071569041773273
Energy: 0.5116118396383359
Energy: 0.518603198512384
Energy: 0.5065287596599397
Energy: 0.6488287287211707
Energy: 0.5226364096565991
Energy: 0.5137171760286534
Energy: 0.5359242017780315
Energy: 0.4886006461571486
Energy: 0.5383890191226549
Energy: 0.5639049522495565
Energy: 0.512283020889154
Energy: 0.5279040404100914
Energy: 0.5416207805569127
Energy: 0.4888020749742957
Energy: 0.542441408392007
Energy: 0.5634921711066812
Energy: 0.506369474608171
Energy: 0.5183097269400889
Energy: 0.5620914121438486
Energy: 0.5078361024872837
Energy: 0.5306885825964399
Energy: 0.5627404376455827
Energy: 0.5197206444743121
Energy: 0.519630140206267
Energy: 0.5634751263862433
Energy: 0.5170529272996536
Energy: 0.5267014514111804
Energy: 0.5936585545263254
Energy: 0.4998988222919456
Energy: 0.5192733658556232
Energy: 0.546573443307879
Energy: 0.5179319613034163
Energy: 0.5081250535717295
Energy: 0.5926126610689156
Energy: 0.5206297487021909
Energy: 0.5400001157682712
Energy: 0.5658757512154734
Energy: 0.5401962770153115
Energy: 0.5391917591605534
Energy: 0.5942640748969807
Energy: 0.5213850656171345
Energy: 0.5356107890822597
Energy: 0.5415135608508721
Energy: 0.5224195980665978
Energy: 0.5359045954766284
Energy: 0.7054334562899687
Energy: 0.5396924556380248
Energy: 0.5400381100645192
Energy: 0.48834806701882094
Energy: 0.5303133164579328
Energy: 0.5051364549416812
Energy: 0.7067711083107215
Energy: 0.5467468719492855
Energy: 0.5410691962399758
Energy: 0.48873153401491326
Energy: 0.5415115013043014
Energy: 0.5408790164462441
Energy: 0.7079136100186352
Energy: 0.5347660640305518
Energy: 0.5358039422618768
Energy: 0.5057552318052381
Energy: 0.5419323448383708
Energy: 0.5343290024322526
Energy: 0.792850895987227
Energy: 0.5139351709505087
Energy: 0.5228065466612624
Energy: 0.4878905028164668
Energy: 0.5124149846158843
Energy: 0.4907085521827332

minimum gb energy = 0.4878905028164668 eV
minimum distance =  2.7072807068631 Angstroms
sigma value = 19


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

Energy: 0.7372952976298464
Energy: 0.5403393994897098
Energy: 0.5401146826099668
Energy: 0.5676305077393551
Energy: 0.5314445902097561
Energy: 0.5670252349618365
Energy: 0.51345160627599
Energy: 0.5292615953078854
Energy: 0.5293415309451723
Energy: 0.5207779346947085
Energy: 0.5293753112816882
Energy: 0.529759923963579
Energy: 0.6190044374292598
Energy: 0.5294877621383446
Energy: 0.5297410633382664
Energy: 0.548722026177899
Energy: 0.5294588138491387
Energy: 0.5295321703143513
Energy: 0.6256602562727468
Energy: 0.5292588462542225
Energy: 0.5294115045061497
Energy: 0.5409214491930407
Energy: 0.5294738407148832
Energy: 0.5298488644454078
Energy: 0.5912876166295776
Energy: 0.529220564807071
Energy: 0.5322994096551857
Energy: 0.520478291914281
Energy: 0.5300827568920795
Energy: 0.5475032620158405
Energy: 0.6208246089878934
Energy: 0.5139973669680726
Energy: 0.5467352973010132
Energy: 0.5481914845141932
Energy: 0.5140307563055266
Energy: 0.5467628895084862
Energy: 0.6205443152465662
Energy: 0.5209480506976764
Energy: 0.5471081417090472
Energy: 0.564895827923109
Energy: 0.5209918222210773
Energy: 0.5476932644420859
Energy: 0.5922748601894015
Energy: 0.5133213137750986
Energy: 0.5138814555601187
Energy: 0.5915543975687482
Energy: 0.5141782460666067
Energy: 0.5138065215200135
Energy: 0.5294941354987449
Energy: 0.5139388130483734
Energy: 0.5138009165100643
Energy: 0.5296235964351577
Energy: 0.5377169108975541
Energy: 0.5136405811135735
Energy: 0.5296151692213569
Energy: 0.5481830038613472
Energy: 0.529514400028218
Energy: 0.5299296766981227
Energy: 0.5209482899626544
Energy: 0.5291810520132965
Energy: 0.527929911317488
Energy: 0.5510217669593157
Energy: 0.5503407598980475
Energy: 0.5281760567189605
Energy: 0.5389195557761485
Energy: 0.5294769252706811
Energy: 0.5894485569057801
Energy: 0.5482641075321302
Energy: 0.5474860063158967
Energy: 0.5292595239517048
Energy: 0.5488081569329081
Energy: 0.5292954764983789
Energy: 0.5129761017433133
Energy: 0.5478446910551878
Energy: 0.5492554704533839
Energy: 0.5152570686325252
Energy: 0.5481168690421168
Energy: 0.5482505085317626
Energy: 0.5897279710670982
Energy: 0.5490722043081883
Energy: 0.5489053997911276
Energy: 0.5296174415524176
Energy: 0.5485673955700869
Energy: 0.5488903149222887
Energy: 0.716697134546024
Energy: 0.5294038049609437
Energy: 0.5295357446194208
Energy: 0.5135906697915418
Energy: 0.5293449700131396
Energy: 0.5133472712663665
Energy: 0.7356896514749898
Energy: 0.5491266360259511
Energy: 0.5141856651509921
Energy: 0.514345484986514
Energy: 0.5309945277138903
Energy: 0.5148030409575288
Energy: 0.5904705776529622
Energy: 0.5295043505752229
Energy: 0.5291789149582322
Energy: 0.5204299280771749
Energy: 0.5287934792490709
Energy: 0.5292503429196085
Energy: 0.6129960573846477
Energy: 0.5292529231749635
Energy: 0.5294709125868945
Energy: 0.5400776560809746
Energy: 0.5296500477030597
Energy: 0.5303049715812593
Energy: 0.6122917000387864
Energy: 0.5294120155327192
Energy: 0.5295642891796881
Energy: 0.5401421743262513
Energy: 0.5291047178342829
Energy: 0.5295889972918152
Energy: 0.6205700153856925
Energy: 0.513943570720208
Energy: 0.5475900642261416
Energy: 0.5212104843649688
Energy: 0.5138489952458595
Energy: 0.5465330499440945
Energy: 0.628799437692347
Energy: 0.5303823248112846
Energy: 0.5483770608651762
Energy: 0.5497797050297856
Energy: 0.5291929407300107
Energy: 0.5491101683848222
Energy: 0.6207291067992238
Energy: 0.5212730255388827
Energy: 0.5475148425637549
Energy: 0.5297375761825182
Energy: 0.5210543290266916
Energy: 0.5478270050746684
Energy: 0.5914808169930852
Energy: 0.5143616727586183
Energy: 0.5151758953633188
Energy: 0.5914965515717545
Energy: 0.5148184620851413
Energy: 0.5146030257596734
Energy: 0.5294894568748
Energy: 0.5480575685840979
Energy: 0.5309735144729013
Energy: 0.5295541084789644
Energy: 0.5378514660984511
Energy: 0.5292926352464825
Energy: 0.5295421919251004
Energy: 0.5482771766875854
Energy: 0.529359068251603
Energy: 0.5294021625452009
Energy: 0.5485319566357701
Energy: 0.5295210355377118
Energy: 0.5906674941027842
Energy: 0.5409990034836315
Energy: 0.5417239302052181
Energy: 0.5911484915031306
Energy: 0.5409950659944124
Energy: 0.5292201815376387
Energy: 0.6212673352986643
Energy: 0.5476425106617973
Energy: 0.5483937896315537
Energy: 0.53005528041525
Energy: 0.5207558563575633
Energy: 0.5475653868208155
Energy: 0.5137288969053581
Energy: 0.548492114634423
Energy: 0.5474501478975575
Energy: 0.5139562883845945
Energy: 0.5484802043954843
Energy: 0.546301834315914
Energy: 0.5895551533911381
Energy: 0.5482261783957132
Energy: 0.5478880679124685
Energy: 0.5206700112887115
Energy: 0.5481117475336684
Energy: 0.5469046877002385
Energy: 0.7154619633409633
Energy: 0.5307110578659212
Energy: 0.5142552992144596
Energy: 0.5138988507069535
Energy: 0.5301562078662312
Energy: 0.5143601096954759

minimum gb energy = 0.5129761017433133 eV
minimum distance =  2.7091878169583 Angstroms
sigma value = 27


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

Energy: 0.6371803137487257
Energy: 0.5417110167937133
Energy: 0.5432653871297762
Energy: 0.5119579752277716
Energy: 0.5300985664400192
Energy: 0.5421219979026746
Energy: 0.5544874369465682
Energy: 0.5300588699093876
Energy: 0.45627780920913075
Energy: 0.483393869262683
Energy: 0.5273827932374753
Energy: 0.4566029209701989
Energy: 0.5764649224796036
Energy: 0.5289152317279795
Energy: 0.4566100188486247
Energy: 0.45730897356228184
Energy: 0.5267457697240845
Energy: 0.4573351492078177
Energy: 0.5542668845531354
Energy: 0.45698905589483435
Energy: 0.45605550631454395
Energy: 0.4560419839605329
Energy: 0.4866392163418705
Energy: 0.45559722153023546
Energy: 0.6197500022542932
Energy: 0.43275726813459037
Energy: 0.45746576560474467
Energy: 0.49240301429968236
Energy: 0.43297351756904623
Energy: 0.4571866752364172
Energy: 0.5270104022597696
Energy: 0.4336320212644109
Energy: 0.43296673362398264
Energy: 0.5270692032031782
Energy: 0.43540756563106847
Energy: 0.43238826469718933
Energy: 0.5287020645505989
Energy: 0.4818118255159679
Energy: 0.45694911955794654
Energy: 0.5284525082848528
Energy: 0.4572257815769763
Energy: 0.4569305707892583
Energy: 0.5273729694839581
Energy: 0.4553764536551183
Energy: 0.4548518863793661
Energy: 0.5271644807648174
Energy: 0.45527792594424804
Energy: 0.4541750352180384
Energy: 0.5749023759474379
Energy: 0.4544817779888344
Energy: 0.47992844283731956
Energy: 0.5275746451668327
Energy: 0.45494714985765244
Energy: 0.4565888650159384
Energy: 0.5761302924342767
Energy: 0.48651033963405066
Energy: 0.48655716883750855
Energy: 0.491224381118543
Energy: 0.45820700501321976
Energy: 0.4885425875330333
Energy: 0.5754875926240407
Energy: 0.5172301406781223
Energy: 0.5184700031621811
Energy: 0.49065981768562705
Energy: 0.5174694345484406
Energy: 0.4579231275804641
Energy: 0.5757781299863622
Energy: 0.49036655027175435
Energy: 0.4564105798367546
Energy: 0.48335259666790864
Energy: 0.49102873045003764
Energy: 0.45641995182463285

minimum gb energy = 0.43238826469718933 eV
minimum distance =  2.73612970191673 Angstroms
sigma value = 9


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

Energy: 0.5097249338055885
Energy: 0.4428646025047627
Energy: 0.44156772437084707
Energy: 0.4515862257441308
Energy: 0.4292519945567599
Energy: 0.44131200105517654
Energy: 0.45322908710140625
Energy: 0.41884795027704297
Energy: 0.4410072846797106
Energy: 0.4398769494633868
Energy: 0.44893198231169196
Energy: 0.4409192152824324
Energy: 0.4912802372238717
Energy: 0.419429146047353
Energy: 0.41919007578478484
Energy: 0.45345364962308027
Energy: 0.46480266811099896
Energy: 0.4189512307901368
Energy: 0.4935015795779297
Energy: 0.42221457717201105
Energy: 0.41823339579958535
Energy: 0.4539076344399809
Energy: 0.44780839805525613
Energy: 0.4182545131788075
Energy: 0.5109121344557176
Energy: 0.4143758062276982
Energy: 0.4155287020755263
Energy: 0.4571832598759658
Energy: 0.4321734506548163
Energy: 0.44034611067791946
Energy: 0.47006888356753956
Energy: 0.41409096328681966
Energy: 0.431634319888929
Energy: 0.4702048789253686
Energy: 0.4160430001899926
Energy: 0.4398134533548936
Energy: 0.4618219434148883
Energy: 0.4231719406035152
Energy: 0.4179716952017757
Energy: 0.46260029827020005
Energy: 0.42047000627557524
Energy: 0.42144724229117786
Energy: 0.4621501205194234
Energy: 0.438652803026678
Energy: 0.43452468643746717
Energy: 0.4626270259046772
Energy: 0.43751411323965683
Energy: 0.43723753175020713
Energy: 0.46830445364549217
Energy: 0.41944334649254505
Energy: 0.4306935023366123
Energy: 0.4566051971270566
Energy: 0.44866285359831
Energy: 0.418882200308685
Energy: 0.4582721197105055
Energy: 0.4215867817679544
Energy: 0.4182671915608422
Energy: 0.44573265503640447
Energy: 0.43152388415602266
Energy: 0.41377347925517854
Energy: 0.4518776532128576
Energy: 0.4398285279115508
Energy: 0.44076629536123135
Energy: 0.44635757939962867
Energy: 0.46114048855298473
Energy: 0.45664857378935797
Energy: 0.5204903197203038
Energy: 0.4387797429257152
Energy: 0.4407325677879858
Energy: 0.4317291715178582
Energy: 0.4622900088891578
Energy: 0.4183028578517672
Energy: 0.6467380558715492
Energy: 0.4615887847751312
Energy: 0.434749849444419
Energy: 0.4426750740155088
Energy: 0.44756753022491114
Energy: 0.43158107862521483
Energy: 0.528085079423231
Energy: 0.4440345546653274
Energy: 0.4421156314915252
Energy: 0.4316606201874386
Energy: 0.4635415113228496
Energy: 0.4183493526441605
Energy: 0.4657710500027922
Energy: 0.4462494196046097
Energy: 0.44586890876223145
Energy: 0.44558896554802596
Energy: 0.448876203183002
Energy: 0.44001660826458144
Energy: 0.4629573151804428
Energy: 0.4422171667451678
Energy: 0.44036394508691207
Energy: 0.46406268124589906
Energy: 0.45353629441527543
Energy: 0.4464134964477782
Energy: 0.46191393121400925
Energy: 0.41831523349823435
Energy: 0.41758247800870046
Energy: 0.4468557799206234
Energy: 0.4271423021234234
Energy: 0.4373246164353666
Energy: 0.5078657825837605
Energy: 0.43358590491170024
Energy: 0.4359511130476848
Energy: 0.4452882187529559
Energy: 0.4495480346593905
Energy: 0.4197182552016381
Energy: 0.4917334638423786
Energy: 0.4371399874360831
Energy: 0.4394461430365604
Energy: 0.4471986600030869
Energy: 0.44567751359278523
Energy: 0.4356559372715528
Energy: 0.4906385319567014
Energy: 0.43623579466502216
Energy: 0.43949450694229025
Energy: 0.4536400441570508
Energy: 0.45344979736982644
Energy: 0.43526586263825795
Energy: 0.4922448578887192
Energy: 0.4420709181096495
Energy: 0.4361884849454023
Energy: 0.4546929478083173
Energy: 0.44054468393562085
Energy: 0.4410587275676241
Energy: 0.5123954707198276
Energy: 0.4236579770310368
Energy: 0.430391582872604
Energy: 0.4429805090754493
Energy: 0.42761638164207577
Energy: 0.43593360336261855
Energy: 0.5194423325496538
Energy: 0.4460841176174479
Energy: 0.44253648380142874
Energy: 0.4324621201584518
Energy: 0.44648843713727465
Energy: 0.41914744575584045
Energy: 0.49148174230553193
Energy: 0.41934949181070413
Energy: 0.4414006312845919
Energy: 0.46023738813243487
Energy: 0.4637920254554726
Energy: 0.4358797110072932
Energy: 0.6557890082753768
Energy: 0.4538141931475222
Energy: 0.44208261977722163
Energy: 0.44017869429357726
Energy: 0.44680785587552047
Energy: 0.4433037456645718
Energy: 0.49171023481301346
Energy: 0.4185312488394716
Energy: 0.4185869579003267
Energy: 0.4711487647914963
Energy: 0.4324618250280361
Energy: 0.41903176556397637
Energy: 0.44245616431130175
Energy: 0.4147046528297496
Energy: 0.41433505432537066
Energy: 0.4424648870823091
Energy: 0.4146975399445482
Energy: 0.446472678275389
Energy: 0.4671788540946833
Energy: 0.41812743504746097
Energy: 0.4180022361720398
Energy: 0.46206988507206526
Energy: 0.4282144856323772
Energy: 0.41920555242805596
Energy: 0.46250819246672875
Energy: 0.4189320290796243
Energy: 0.4410666807285389
Energy: 0.4626561916668983
Energy: 0.44130958478668597
Energy: 0.43061121528441876
Energy: 0.44581430478052375
Energy: 0.438334141678918
Energy: 0.4189353355973022
Energy: 0.4568258770683503
Energy: 0.4372069180724939
Energy: 0.41869328771971437
Energy: 0.4520883675560783
Energy: 0.41992679328469407
Energy: 0.41897743823640027
Energy: 0.46468090130261136
Energy: 0.44419120877998103
Energy: 0.44105962194791887
Energy: 0.45636444481759747
Energy: 0.4357204839809198
Energy: 0.43605950290380874
Energy: 0.4145659143041063
Energy: 0.4350166069985251
Energy: 0.4137566052813567
Energy: 0.4896014547888514
Energy: 0.465441977589906
Energy: 0.461367181344945
Energy: 0.44266150162974127
Energy: 0.4632745035617689
Energy: 0.41814041324520884
Energy: 0.48514189709410205
Energy: 0.4715193952766057
Energy: 0.4296509254763048
Energy: 0.4599520873780521
Energy: 0.47039715254455267
Energy: 0.4173207907762705
Energy: 0.48161887400661
Energy: 0.42342137886637404
Energy: 0.4369200106006305
Energy: 0.4403257237170832
Energy: 0.4573866716326791
Energy: 0.442734005157812
Energy: 0.48413020982248706
Energy: 0.4391570886960371
Energy: 0.41812625176212254
Energy: 0.4517497813114883
Energy: 0.44735671678720224
Energy: 0.41840560347873557
Energy: 0.4636396535795388
Energy: 0.4440773050417057
Energy: 0.45426887735128463
Energy: 0.46439857822409064
Energy: 0.45202038559674335
Energy: 0.4189074027777393
Energy: 0.46243263832313714
Energy: 0.4396210977165076
Energy: 0.4377849591675759
Energy: 0.44480123851794257
Energy: 0.44004298603850683
Energy: 0.43773172208062266
Energy: 0.4753407637657827
Energy: 0.4228525268084008
Energy: 0.436818739251526
Energy: 0.428733834103322
Energy: 0.4228177355553449
Energy: 0.43042301600869165
Energy: 0.4930046212718666
Energy: 0.43978923583903773
Energy: 0.43841094281911863
Energy: 0.4455095218259346
Energy: 0.44134620615752224
Energy: 0.43776590337644017
Energy: 0.4891402703196682
Energy: 0.445031557014677
Energy: 0.43764063013073834
Energy: 0.4522371899432252
Energy: 0.43878611761528685
Energy: 0.4483563495937083
Energy: 0.4922676417828091
Energy: 0.43948456895807514
Energy: 0.4356288892853653
Energy: 0.4210661251640175
Energy: 0.4546544429561265
Energy: 0.43437920574581845
Energy: 0.521723955000646
Energy: 0.41909184048117715
Energy: 0.4401126688679546
Energy: 0.4324965592982807
Energy: 0.4462233673579677
Energy: 0.4190706610656323

minimum gb energy = 0.4137566052813567 eV
minimum distance =  2.6984185019038 Angstroms
sigma value = 57


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

Energy: 0.22092622722520575
Energy: 0.23036764869734422
Energy: 0.23825799197930203
Energy: 0.2217876954579214
Energy: 0.25119474283703325
Energy: 0.22976094723658855
Energy: 0.22180329422151734
Energy: 0.23539402523367184
Energy: 0.2397128309487838
Energy: 0.2477247803869972
Energy: 0.2489620050764452
Energy: 0.23762071913274038
Energy: 0.27548964539148496
Energy: 0.24910973191691974
Energy: 0.23895153360108543
Energy: 0.2498829499931637
Energy: 0.2501529599699848
Energy: 0.2419172207182315
Energy: 0.2753375800670904
Energy: 0.23934972696174428
Energy: 0.2396752345519693
Energy: 0.2546867625407588
Energy: 0.2769907156412989
Energy: 0.24207178518400302
Energy: 0.27288201467393475
Energy: 0.22563904749791497
Energy: 0.22862140337402495
Energy: 0.2742397534177473
Energy: 0.22267341290950718
Energy: 0.24211003656378588
Energy: 0.24958889368008225
Energy: 0.22311846404304794
Energy: 0.23579117721860993
Energy: 0.23517282761356675
Energy: 0.22563413778074234
Energy: 0.2357772647383653
Energy: 0.2461611834068867
Energy: 0.23461474136051325
Energy: 0.24025863714993903
Energy: 0.2465567017900623
Energy: 0.2329905570870182
Energy: 0.2396718014158881
Energy: 0.24936490059585104
Energy: 0.2374970441814926
Energy: 0.2366791744331087
Energy: 0.2498541766499234
Energy: 0.23532799781060176
Energy: 0.24148221525241823
Energy: 0.2727223081569466
Energy: 0.24937725839112646
Energy: 0.2419401932213303
Energy: 0.25114436567976034
Energy: 0.2487656021316452
Energy: 0.24088060322928614
Energy: 0.22596136226656613
Energy: 0.24615269632585973
Energy: 0.23133823205607112
Energy: 0.22614131190640352
Energy: 0.248815585720766
Energy: 0.2373483574775813
Energy: 0.22162879024328314
Energy: 0.23597115942565142
Energy: 0.24075803271120733
Energy: 0.2220010270500413
Energy: 0.2335101729347041
Energy: 0.2242277613751698
Energy: 0.27396549777762713
Energy: 0.25274329356255426
Energy: 0.23807018863084728
Energy: 0.24765075553207871
Energy: 0.2489353112103184
Energy: 0.2374844491855332
Energy: 0.27519595925295987
Energy: 0.27862726026814755
Energy: 0.2503695478362025
Energy: 0.23626488670265935
Energy: 0.2759425197407597
Energy: 0.23646832716991353
Energy: 0.27320762870303217
Energy: 0.2514493907663271
Energy: 0.23946553347638122
Energy: 0.24942628664868358
Energy: 0.24876745169205017
Energy: 0.2385363266012861
Energy: 0.27556480924359955
Energy: 0.22614706448666985
Energy: 0.23082171439126403
Energy: 0.2504607474845295
Energy: 0.22287457244333553
Energy: 0.2338233817823703
Energy: 0.24759719335448438
Energy: 0.237473157234345
Energy: 0.237502395060029
Energy: 0.24861488759108996
Energy: 0.2228552005750895
Energy: 0.24122257896157087
Energy: 0.24952332713158154
Energy: 0.24056769383805351
Energy: 0.24059926569325998
Energy: 0.24995034194019586
Energy: 0.25122303416699276
Energy: 0.2405654481107726
Energy: 0.27655474406454106
Energy: 0.2373115923342103
Energy: 0.24541360891381533
Energy: 0.27717840016714657
Energy: 0.23574947257358078
Energy: 0.24059894831952444
Energy: 0.22162526506215005
Energy: 0.23690242885426835
Energy: 0.24058667240656803
Energy: 0.2221818039758383
Energy: 0.23778937611691767
Energy: 0.24246386884370139

minimum gb energy = 0.22092622722520575 eV
minimum distance =  2.75830711943472 Angstroms
sigma value = 11


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

Energy: 0.862926761345978
Energy: 0.3600110023590216
Energy: 0.43528498616523476
Energy: 0.3589590418513037
Energy: 0.36149003395633206
Energy: 0.43727263103024655
Energy: 0.377944972559925
Energy: 0.36803353596710753
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Energy: 0.36051989463215733
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Energy: 0.36805075773633816
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Energy: 0.3641757976583777
Energy: 0.3724075358592679
Energy: 0.3708115950548663
Energy: 0.36322865011173394
Energy: 0.3603345490850569
Energy: 0.3625754757257568
Energy: 0.3661239043956766
Energy: 0.3948153123486902
Energy: 0.3945903255262088
Energy: 0.3755399275358778
Energy: 0.42488223108241147
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Energy: 0.37763986148906975
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Energy: 0.39844557408602593
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Energy: 0.40240175796746924
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Energy: 0.4195550794785153
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Energy: 0.3723305294446765
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Energy: 0.37311678837507606
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Energy: 0.39258482898717034
Energy: 0.42301907421814666
Energy: 0.3956106601893138
Energy: 0.39304322505261063
Energy: 0.3938978227670825
Energy: 0.4166484261524886
Energy: 0.36899813486122324
Energy: 0.3638012871672033
Energy: 0.3866637914768023
Energy: 0.3694082755734707
Energy: 0.36642082054636177
Energy: 0.49790907981443816
Energy: 0.39780886630398343
Energy: 0.3745665091434141
Energy: 0.45216384823426226
Energy: 0.3869668420908043
Energy: 0.3737573735475007
Energy: 0.41322190071045145
Energy: 0.3966019921809068
Energy: 0.3949585600200818
Energy: 0.38537790999947247
Energy: 0.41844881028260217
Energy: 0.39162987761552087
Energy: 0.4821715985316434
Energy: 0.36859872402896565
Energy: 0.3755733486605074
Energy: 0.515688157906656
Energy: 0.37110761125831193
Energy: 0.41733875474854376
Energy: 0.36024181377618514
Energy: 0.39704020886393493
Energy: 0.39557066544275843
Energy: 0.36184729315359343
Energy: 0.39527074874017354
Energy: 0.39551761837315824
Energy: 0.3691462162305304
Energy: 0.3639345758408179
Energy: 0.36029228447741035
Energy: 0.3687760322600234
Energy: 0.3626817187260143
Energy: 0.36148178845697254
Energy: 0.42877991015336536
Energy: 0.36159538727330304
Energy: 0.36338102916264625
Energy: 0.43949230179065807
Energy: 0.36161561016414806
Energy: 0.3703673904721591
Energy: 0.41526033163753445
Energy: 0.36065179255288726
Energy: 0.36263494366856364
Energy: 0.3934613679336014
Energy: 0.3701590474898206
Energy: 0.36599906854448694

minimum gb energy = 0.3493683729741 eV
minimum distance =  2.72327211697565 Angstroms
sigma value = 41


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

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Energy: 0.4076262882471982
Energy: 0.4078218539872291
Energy: 0.4441238804321153
Energy: 0.4415940474625798
Energy: 0.44271613957664174
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Energy: 0.3845182918044612
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Energy: 0.4039863875104613
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Energy: 0.3822860763354952
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Energy: 0.38561991828018943
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Energy: 0.3692763183078009
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Energy: 0.3873089898262335
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Energy: 0.38223051746595704
Energy: 0.3842491348869396
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Energy: 0.3859452105168412
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Energy: 0.381547918942055
Energy: 0.4162056094244782
Energy: 0.3853222068207524
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Energy: 0.4158156246345032
Energy: 0.3832083752777925
Energy: 0.4201494105740327
Energy: 0.4348887211925249
Energy: 0.3854428762690978
Energy: 0.38254208144096613
Energy: 0.3954027458267206
Energy: 0.3842336143223588
Energy: 0.3821502422873651
Energy: 0.40363657669512165
Energy: 0.4126461810415518
Energy: 0.3861969002649784
Energy: 0.3681472251923823
Energy: 0.4121611641502777
Energy: 0.37241170766675247
Energy: 0.4354557238811887
Energy: 0.3845771566862329
Energy: 0.383886276877626
Energy: 0.3946720692929214
Energy: 0.38670596323477197
Energy: 0.3840997467121627
Energy: 0.5835949903138138
Energy: 0.38600798323709923
Energy: 0.381744683078511
Energy: 0.3856335247004745
Energy: 0.3968361525298497
Energy: 0.3814138385212388
Energy: 0.58564750072718
Energy: 0.3854595849637358
Energy: 0.38188886743205147
Energy: 0.38179607067945126
Energy: 0.3975018459328155
Energy: 0.38432904010391844
Energy: 0.4338097264974652
Energy: 0.3953801126268026
Energy: 0.3848409389832251
Energy: 0.3950829246651237
Energy: 0.38277306565878944
Energy: 0.3866954022018695
Energy: 0.38534900859094184
Energy: 0.367933013490661
Energy: 0.36829350963498525
Energy: 0.3981128649714666
Energy: 0.36795152441951673
Energy: 0.36858017626684175
Energy: 0.38416763715346225
Energy: 0.3794976905165427
Energy: 0.38684265777694243
Energy: 0.3845248720652833
Energy: 0.39423099513611115
Energy: 0.3864379662007383
Energy: 0.3859361545448029
Energy: 0.3820420227653299
Energy: 0.38148539937830245
Energy: 0.38617319901324193
Energy: 0.383139148251303
Energy: 0.382144999403206
Energy: 0.3866682608870154
Energy: 0.3813417212791628
Energy: 0.3816091394724424
Energy: 0.3869679324723929
Energy: 0.38446385237894387
Energy: 0.3821531928322351
Energy: 0.7616502758272795
Energy: 0.38597651576000575
Energy: 0.3868886860146375
Energy: 0.3695248817580212
Energy: 0.3840139958756982
Energy: 0.36872912907298605

minimum gb energy = 0.3676358204873988 eV
minimum distance =  2.70069190575322 Angstroms
sigma value = 33


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

Energy: 0.5035293783587722
Energy: 0.41503054095893865
Energy: 0.415159870324883
Energy: 0.4133844601051638
Energy: 0.48503287513080906
Energy: 0.4147342935988508
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Energy: 0.405929393480506
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Energy: 0.4155162005547391
Energy: 0.40627404040703236
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Energy: 0.42228223543128346
Energy: 0.4087420886203452
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Energy: 0.40974504780519955
Energy: 0.4101000611184892
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Energy: 0.40950260279069756
Energy: 0.3965812439256677
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Energy: 0.40566099094949726
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Energy: 0.4090373395818984
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Energy: 0.4262923681000565
Energy: 0.4209863106308186
Energy: 0.40701464738046333
Energy: 0.4087833816063021
Energy: 0.40948533781126684
Energy: 0.41608722722140135
Energy: 0.40926711345385314
Energy: 0.44529208820588734
Energy: 0.39814384367270467
Energy: 0.39528762885526914
Energy: 0.40643351048231835
Energy: 0.41067902398592593
Energy: 0.39546834849816165

minimum gb energy = 0.3945973758900645 eV
minimum distance =  2.70191324647496 Angstroms
sigma value = 67


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

Energy: 0.5831096399490554
Energy: 0.4317429889229002
Energy: 0.43188624574394335
Energy: 0.4327905914088892
Energy: 0.45391540718957496
Energy: 0.4319223448341743
Energy: 0.47969863466054224
Energy: 0.42071962113142203
Energy: 0.42035531752231975
Energy: 0.4202702932439711
Energy: 0.42178589303337677
Energy: 0.42016836254088985
Energy: 0.4449755638905163
Energy: 0.4058006187279951
Energy: 0.4222574195717989
Energy: 0.4218272145947419
Energy: 0.4042122947512115
Energy: 0.42211621875139393
Energy: 0.4469685334978944
Energy: 0.4223505567128322
Energy: 0.42115827413621926
Energy: 0.4203538617755037
Energy: 0.42072064152107846
Energy: 0.42120345036106827
Energy: 0.4457363904020756
Energy: 0.4210793101169668
Energy: 0.4220524859049264
Energy: 0.4296491358204567
Energy: 0.4210821381528263
Energy: 0.4224256512916849
Energy: 0.4467288677514215
Energy: 0.4213315513234447
Energy: 0.42313076856770554
Energy: 0.427433110581708
Energy: 0.4209042034052313
Energy: 0.42331939213793685
Energy: 0.47946147163931474
Energy: 0.42130823479270435
Energy: 0.4199219721482151
Energy: 0.4037066382178737
Energy: 0.42191157228774817
Energy: 0.41999477740454016

minimum gb energy = 0.4037066382178737 eV
minimum distance =  2.74058257192694 Angstroms
sigma value = 3


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

Energy: 0.6713832738688325
Energy: 0.49017554443478584
Energy: 0.4880897613865197
Energy: 0.47311509304385413
Energy: 0.8406199066676306
Energy: 0.4843192643806677
Energy: 0.4668616971513815
Energy: 0.4822120757859781
Energy: 0.46957182438183326
Energy: 0.47993920437460147
Energy: 0.4902559718328677
Energy: 0.4685097277799288
Energy: 0.47653647920506254
Energy: 0.46846073167263674
Energy: 0.46859714246128414
Energy: 0.4769738403751304
Energy: 0.4693677738167059
Energy: 0.470131972168579
Energy: 0.4683012157350358
Energy: 0.4741135777195731
Energy: 0.46960004086553864
Energy: 0.46914794654718167
Energy: 0.46817539831975863
Energy: 0.4688373208758864
Energy: 0.47637935826405325
Energy: 0.4672775270470003
Energy: 0.4672755590974944
Energy: 0.4745744479335334
Energy: 0.4778091349162869
Energy: 0.46722724011137506
Energy: 0.4671280850238597
Energy: 0.4669108051227031
Energy: 0.46717413783574496
Energy: 0.4670861431114384
Energy: 0.47786253695364717
Energy: 0.4671940512777252
Energy: 0.46754062331335866
Energy: 0.47800952434427657
Energy: 0.4818848437108474
Energy: 0.47924920892372447
Energy: 0.48461574399266427
Energy: 0.4791852290954367
Energy: 0.6405018742146503
Energy: 0.5017001885278638
Energy: 0.4867230013888241
Energy: 0.5093008324689297
Energy: 0.5040158884313584
Energy: 0.48603108169994086
Energy: 0.4692379216936399
Energy: 0.4728299658343805
Energy: 0.47755057727537564
Energy: 0.4820158666939056
Energy: 0.4812722174132323
Energy: 0.4848717184195305
Energy: 0.47021271770661616
Energy: 0.46609825071769906
Energy: 0.4712885632677373
Energy: 0.5069978172066891
Energy: 0.4668770224491202
Energy: 0.48457487031912894
Energy: 0.4825748540895369
Energy: 0.47379311578111816
Energy: 0.4793509182941955
Energy: 0.4832668133330843
Energy: 0.4779720991576139
Energy: 0.48025654230108683
Energy: 0.48077089834637005
Energy: 0.46655472416475874
Energy: 0.46609226170419643
Energy: 0.489096287405707
Energy: 0.471562129200278
Energy: 0.46621298637040937
Energy: 0.4937473069642133
Energy: 0.46657096856074015
Energy: 0.46571263495675436
Energy: 0.4719764212536206
Energy: 0.46633109830255887
Energy: 0.46616428603165755
Energy: 0.5102212361614951
Energy: 0.47016203594929973
Energy: 0.4670633785402372
Energy: 0.48174003822200306
Energy: 0.4673568889847144
Energy: 0.46713290186883943
Energy: 0.5215048511327961
Energy: 0.4750500812118084
Energy: 0.5070117690848404
Energy: 0.486197386880555
Energy: 0.4759261923394118
Energy: 0.469629887487066
Energy: 0.5033700796925723
Energy: 0.4698510026906134
Energy: 0.4677091424684492
Energy: 0.4883846691895422
Energy: 0.4826890257840543
Energy: 0.46766608223991085
Energy: 0.5707742668095002
Energy: 0.46875245679899186
Energy: 0.4759744611713648
Energy: 0.5020158163007054
Energy: 0.46886372774852264
Energy: 0.4920300005540092
Energy: 0.4814413981265056
Energy: 0.4781594136414099
Energy: 0.4939716984704374
Energy: 0.48233719097916994
Energy: 0.4826233786788122
Energy: 0.4803860068512946
Energy: 0.5119660395201263
Energy: 0.47158568990178307
Energy: 0.468025192682623
Energy: 0.4780938412054306
Energy: 0.48898663498650874
Energy: 0.4665621173971216
Energy: 0.546562625843366
Energy: 0.47673444251364167
Energy: 0.47740755993919526
Energy: 0.4749480982596553
Energy: 0.47937439905574414
Energy: 0.46669448067833547
Energy: 0.49554451211803313
Energy: 0.4865291865253529
Energy: 0.48533915652093806
Energy: 0.47954580947970954
Energy: 0.48612809103865173
Energy: 0.49132972272476155
Energy: 0.48162204698407
Energy: 0.48325013975868836
Energy: 0.478586909857554
Energy: 0.4798970334893967
Energy: 0.4808061846160453
Energy: 0.47822085316862123
Energy: 0.48574086148453083
Energy: 0.4832662575077498
Energy: 0.483486877110033
Energy: 0.4863472507874664
Energy: 0.4724944022304904
Energy: 0.48328653897812857
Energy: 0.48551527023969865
Energy: 0.46717937335923476
Energy: 0.4671341191859258
Energy: 0.4861282813847593
Energy: 0.46754284930076623
Energy: 0.48399539949470743
Energy: 0.47347329322220655
Energy: 0.4805659553074926
Energy: 0.46813016196730783
Energy: 0.49801780051955774
Energy: 0.46918566470417045
Energy: 0.46726743388108577
Energy: 0.6598613174436366
Energy: 0.4802364522419938
Energy: 0.48047805744990835
Energy: 0.4694165540940038
Energy: 0.48071547345223015
Energy: 0.47640716752359713
Energy: 0.46107667060182306
Energy: 0.4959855940980698
Energy: 0.48482256552456654
Energy: 0.46181385773665107
Energy: 0.4963125293403576
Energy: 0.47584369429533896
Energy: 0.47450072402625326
Energy: 0.47770600326853196
Energy: 0.4683448935955488
Energy: 0.4804077087370476
Energy: 0.4843127257145434
Energy: 0.46822475079694514
Energy: 0.48455409249466874
Energy: 0.4692258895017224
Energy: 0.4690300781784165
Energy: 0.48446040425972536
Energy: 0.46977025852461995
Energy: 0.47602754823658405
Energy: 0.4753275480038982
Energy: 0.4754052049628581
Energy: 0.4754690564229589
Energy: 0.4762061717402816
Energy: 0.47625328912622356
Energy: 0.4825885465316275
Energy: 0.47494364760723085
Energy: 0.4757966613972355
Energy: 0.47571613340710406
Energy: 0.47454733635675195
Energy: 0.48091678132971677
Energy: 0.47471619433579326
Energy: 0.48073706757092344
Energy: 0.48614096600568535
Energy: 0.4850601163008306
Energy: 0.492736057306365
Energy: 0.48936713844016677
Energy: 0.48724816010999134
Energy: 0.6198435462110714
Energy: 0.4958927157795672
Energy: 0.49228498120797204
Energy: 0.4658606871283678
Energy: 0.4885918905239849
Energy: 0.4748457153953947
Energy: 0.4683897594977956
Energy: 0.4659056644939197
Energy: 0.46569943591923807
Energy: 0.46588242849671296
Energy: 0.4739586503597158
Energy: 0.4658116978324675
Energy: 0.48481746018978794
Energy: 0.476867017946987
Energy: 0.4807761748680076
Energy: 0.4803288720355325
Energy: 0.4694976205464781
Energy: 0.4892561296566317
Energy: 0.5105125617609051
Energy: 0.4663031014145389
Energy: 0.46658794161169054
Energy: 0.510241398773841
Energy: 0.46698211778819754
Energy: 0.4812798013419962
Energy: 0.49107413396988997
Energy: 0.4715073979870541
Energy: 0.46593392437579123
Energy: 0.48643357089815703
Energy: 0.4874453184920732
Energy: 0.46563177212579543
Energy: 0.49552301903388846
Energy: 0.46719732779647216
Energy: 0.46714483463460144
Energy: 0.4724420081284818
Energy: 0.46742810816917024
Energy: 0.46699436615155165
Energy: 0.5156384760380636
Energy: 0.4723307010293747
Energy: 0.46547282693886116
Energy: 0.4829134852003313
Energy: 0.46996824549709637
Energy: 0.46630397662406836
Energy: 0.5208121769595296
Energy: 0.47337259387644703
Energy: 0.4686343288412686
Energy: 0.4689128761322727
Energy: 0.47230620998055256
Energy: 0.46908639169623956
Energy: 0.4806636696184062
Energy: 0.4698530143109629
Energy: 0.46698745647844003
Energy: 0.4786711186698767
Energy: 0.5244023215119239
Energy: 0.46737014503170304
Energy: 0.4821620727940203
Energy: 0.4817176475280753
Energy: 0.47171365326233644
Energy: 0.4791574832507802
Energy: 0.47288440281164074
Energy: 0.4679567610939855
Energy: 0.5480993666966979
Energy: 0.46834149273054615
Energy: 0.4769674697238684
Energy: 0.5338492447953581
Energy: 0.47829867542014315
Energy: 0.5044954023921713
Energy: 0.4803329646637122
Energy: 0.4698141340103223
Energy: 0.4668681383250891
Energy: 0.47020413851190984
Energy: 0.4774794158444558
Energy: 0.46757350681117205
Energy: 0.6269301931605324
Energy: 0.47662126132213545
Energy: 0.488627707176688
Energy: 0.5126857109431484
Energy: 0.47575106264170147
Energy: 0.488110090347609
Energy: 0.4798335779180618
Energy: 0.47591531517741176
Energy: 0.4770199053249788
Energy: 0.4789557948096605
Energy: 0.47750569800901704
Energy: 0.47816099733570594
Energy: 0.4744113000884824
Energy: 0.47515101154408906
Energy: 0.47497533506642614
Energy: 0.475321394870828
Energy: 0.4743342669491397
Energy: 0.4749117663567677
Energy: 0.48587641530677517
Energy: 0.47904232961260884
Energy: 0.4759684389379999
Energy: 0.4741388189913365
Energy: 0.4743089812581895
Energy: 0.47589813392564795
Energy: 0.47276656525420896
Energy: 0.4689901806183347
Energy: 0.47356312754684704
Energy: 0.47335097853535774
Energy: 0.4733280662592156
Energy: 0.47341172641990104
Energy: 0.47499608034554436
Energy: 0.4662253528876107
Energy: 0.4656756779927818
Energy: 0.4843624698110297
Energy: 0.466106402369423
Energy: 0.46957628685699065
Energy: 0.4670272491379064
Energy: 0.479813036787285
Energy: 0.47841320538867715
Energy: 0.4964949197013482
Energy: 0.47426770218831166
Energy: 0.48042475330140977

minimum gb energy = 0.46107667060182306 eV
minimum distance =  2.69535684302473 Angstroms
sigma value = 81


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

Energy: 0.992896443983591
Energy: 0.5149047459417097
Energy: 0.47856851427586033
Energy: 0.47056389454433895
Energy: 0.5571820625146807
Energy: 0.4995647490742719
Energy: 0.47257271529225575
Energy: 0.47761116304277107
Energy: 0.4773375548467674
Energy: 0.4790866394450169
Energy: 0.47715951283233976
Energy: 0.4799214285470247
Energy: 0.5225235183478311
Energy: 0.48242384976809766
Energy: 0.4836960452815151
Energy: 0.47683525926575887
Energy: 0.4859873596864021
Energy: 0.4642580850560962
Energy: 0.5260227143686358
Energy: 0.48420852264822006
Energy: 0.5359588640855031
Energy: 0.527377793981997
Energy: 0.48679680795346253
Energy: 0.4766188135893768
Energy: 0.5243526737703521
Energy: 0.47654540771996284
Energy: 0.47026190448453825
Energy: 0.4681507072480002
Energy: 0.44695461438036477
Energy: 0.47073408908895464
Energy: 0.522160843333988
Energy: 0.5273945526401198
Energy: 0.482046389989408
Energy: 0.46610913646342367
Energy: 0.4909583694389784
Energy: 0.5276810544073401
Energy: 0.5216306815233349
Energy: 0.47988494732125453
Energy: 0.48362517385865883
Energy: 0.5287464378093293
Energy: 0.4814996800554446
Energy: 0.5280554039583326
Energy: 0.6422277415950298
Energy: 0.5805707386195348
Energy: 0.5630088933423064
Energy: 0.4691604016556284
Energy: 0.5749688001039271
Energy: 0.4813869486121033
Energy: 0.5345686782679746
Energy: 0.5176351952470576
Energy: 0.5289610799308168
Energy: 0.4580538582200551
Energy: 0.5122840782180295
Energy: 0.5297331955003286
Energy: 0.5499265066744599
Energy: 0.4848367641008493
Energy: 0.4850959754678554
Energy: 0.5368022068085849
Energy: 0.48452533220077776
Energy: 0.48789745903626675
Energy: 0.5088997830743417
Energy: 0.4841429197886364
Energy: 0.4858323700111407
Energy: 0.5440519648690182
Energy: 0.48725047500468144
Energy: 0.5359382647120685
Energy: 0.4859282674398358
Energy: 0.5076893660263914
Energy: 0.5204353451422706
Energy: 0.4862024425284135
Energy: 0.516323589337803
Energy: 0.5172482973690244
Energy: 0.5130652904858914
Energy: 0.5270373222330339
Energy: 0.4945740802975188
Energy: 0.4859143482588618
Energy: 0.5287886035830004
Energy: 0.46878492211457995
Energy: 0.502337036352448
Energy: 0.527382618074307
Energy: 0.5285589277829231
Energy: 0.5136263243097451
Energy: 0.5263879273346499
Energy: 0.5286940015176222
Energy: 0.6525464577435945
Energy: 0.5270916014392354
Energy: 0.5405712188571367
Energy: 0.4976545528975823
Energy: 0.5275188537327068
Energy: 0.5351519974564724
Energy: 0.4931003243133669
Energy: 0.49708210574975487
Energy: 0.4976051945975335
Energy: 0.48807739299922465
Energy: 0.5032220870435711
Energy: 0.499890754485387
Energy: 0.6175786624807404
Energy: 0.4721742016062029
Energy: 0.47118227765588694
Energy: 0.5693086221852004
Energy: 0.4689293496156955
Energy: 0.4791617661706806
Energy: 0.48232727034537937
Energy: 0.4977334451026783
Energy: 0.4990799601714735
Energy: 0.4826042172595702
Energy: 0.4986337777625572
Energy: 0.49901399679924074
Energy: 0.4825165267634509
Energy: 0.5013789128804591
Energy: 0.5034452090254454
Energy: 0.4901262779174857
Energy: 0.500285050116848
Energy: 0.49726202768583827
Energy: 0.48238961789042817
Energy: 0.5010968579823738
Energy: 0.5033269271636419
Energy: 0.492926082733653
Energy: 0.5000725986939929
Energy: 0.5049424442890557
Energy: 0.48234299817108395
Energy: 0.4967521174193278
Energy: 0.5010894306395629
Energy: 0.482529125983811
Energy: 0.49871949392377374
Energy: 0.5015466970407514
Energy: 0.532024813213887
Energy: 0.4824803130191643
Energy: 0.4698984753648845
Energy: 0.5234092526662247
Energy: 0.4699541998821369
Energy: 0.5269809345207747
Energy: 0.49966353645383504
Energy: 0.49542621703275497
Energy: 0.496812152732492
Energy: 0.4844729888036399
Energy: 0.4998431787133599
Energy: 0.4944733706304819
Energy: 0.5328453192229514
Energy: 0.5401891716716988
Energy: 0.5400810859077579
Energy: 0.4885514505427708
Energy: 0.5413207132485073
Energy: 0.4925989037992055
Energy: 0.500835759782404
Energy: 0.5324031207649438
Energy: 0.5343103645446368
Energy: 0.49650969751129026
Energy: 0.5307486909112883
Energy: 0.5336215483456457
Energy: 0.5395541370212259
Energy: 0.5386726924465074
Energy: 0.4931214297419651
Energy: 0.469084976849561
Energy: 0.5784848574996362
Energy: 0.5241606020239272
Energy: 0.5348674739420599
Energy: 0.5077882342929391
Energy: 0.517561565362123
Energy: 0.4825914988816576
Energy: 0.5163841602680476
Energy: 0.5231878071586449
Energy: 0.49355314055573113
Energy: 0.4855221930778831
Energy: 0.5335851125288887
Energy: 0.5108295332213065
Energy: 0.48068702676968955
Energy: 0.5348276485728335
Energy: 0.5468330356870614
Energy: 0.48509983206186785
Energy: 0.4848443395592094
Energy: 0.5331952983985253
Energy: 0.48482539378235623
Energy: 0.48832380890667104
Energy: 0.5401577212598376
Energy: 0.5087381245512475
Energy: 0.5260187264961842
Energy: 0.5483351718669547
Energy: 0.5130859375221934
Energy: 0.5228504604465043
Energy: 0.5133177496195338
Energy: 0.5786166183514212
Energy: 0.5211210217225848
Energy: 0.48582984370632476
Energy: 0.5549842452488358
Energy: 0.46892450616336684
Energy: 0.5272013644006667
Energy: 0.47590084466002547
Energy: 0.47686775645508495
Energy: 0.5284914913698407
Energy: 0.47472365915465853
Energy: 0.48017327396672915
Energy: 0.5298765379870181
Energy: 0.47638731213058133
Energy: 0.47614270955405325
Energy: 0.483264204059047
Energy: 0.4810307491272428
Energy: 0.5251456141158731
Energy: 0.5276677558270827
Energy: 0.4698347096261869
Energy: 0.48803470281780603
Energy: 0.46990101180538646
Energy: 0.47590183827169436
Energy: 0.48171346789693825
Energy: 0.5321790174279821
Energy: 0.47806250982125076
Energy: 0.5376187279571228
Energy: 0.5349718128754726
Energy: 0.4694494707850556
Energy: 0.4656915748746407
Energy: 0.6004076625655034
Energy: 0.47188268316072934
Energy: 0.47139201509079554
Energy: 0.5113204718434188
Energy: 0.46903671069744446
Energy: 0.5257712016018599
Energy: 0.5228982426792191
Energy: 0.4777806007192822
Energy: 0.47741600502578274
Energy: 0.4788651088605896
Energy: 0.47715771150109676
Energy: 0.4803440474102019
Energy: 0.5895028188288497
Energy: 0.4878242531807868
Energy: 0.4701835755807004
Energy: 0.4683226866025919
Energy: 0.4654028450522765
Energy: 0.4988774689056406

minimum gb energy = 0.44695461438036477 eV
minimum distance =  2.67373423359352 Angstroms
sigma value = 43


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

Energy: 0.7276470734638659
Energy: 0.48777954126722006
Energy: 0.4680523354474695
Energy: 0.4642285681741986
Energy: 0.5661737567753579
Energy: 0.4658632282810188
Energy: 0.4471529015576646
Energy: 0.4587601191986801
Energy: 0.4615408656264656
Energy: 0.4542523140786373
Energy: 0.4580353481768208
Energy: 0.4598114554064745
Energy: 0.45311161036230935
Energy: 0.4447508559742221
Energy: 0.4469077688810301
Energy: 0.4749381952866412
Energy: 0.44475625528484225
Energy: 0.45591113839485614
Energy: 0.45543178859314654
Energy: 0.4450515508489813
Energy: 0.4585876706650432
Energy: 0.45563094806113086
Energy: 0.4641451631286174
Energy: 0.4575289765675924
Energy: 0.4545826530827482
Energy: 0.45994740891325586
Energy: 0.45930415136070385
Energy: 0.45402640936962896
Energy: 0.46119944223763554
Energy: 0.4610581205240939
Energy: 0.45448729007405386
Energy: 0.46104687454480386
Energy: 0.46059563903215334
Energy: 0.4596757263347911
Energy: 0.4585039303660259
Energy: 0.46166485813883146
Energy: 0.4549676332652121
Energy: 0.4545922966613903
Energy: 0.4589202355027365
Energy: 0.4563583941058984
Energy: 0.4544078148060271
Energy: 0.4586929745484543
Energy: 0.5261235656903597
Energy: 0.4530351583516047
Energy: 0.45296741193280615
Energy: 0.4546962886810922
Energy: 0.4528217435287847
Energy: 0.4535170031574922
Energy: 0.4549171196454113
Energy: 0.4543513083128911
Energy: 0.45559227812728764
Energy: 0.4556802520058978
Energy: 0.45423214267869555
Energy: 0.45866760966313314
Energy: 0.5062143635779787
Energy: 0.4603015537035031
Energy: 0.45940966943766814
Energy: 0.4581233759910486
Energy: 0.46348618708260647
Energy: 0.4584666099226659
Energy: 0.45410853754005365
Energy: 0.46398010327020733
Energy: 0.4724838597531676
Energy: 0.4556699601275323
Energy: 0.4671158589632574
Energy: 0.4611591869318643
Energy: 0.4721386661829908
Energy: 0.454049885956961
Energy: 0.45672339494322156
Energy: 0.4464876213565297
Energy: 0.45632283664795853
Energy: 0.4579244705552663
Energy: 0.4698847451925072
Energy: 0.45435319956985076
Energy: 0.46503326424860697
Energy: 0.44689850697434697
Energy: 0.453758910050386
Energy: 0.4654079654113398
Energy: 0.4537789666262652
Energy: 0.45589255242273635
Energy: 0.46231787247421224
Energy: 0.45798770076846723
Energy: 0.45383441220912185
Energy: 0.46135651880101963
Energy: 0.46338621283616027
Energy: 0.45186697024252415
Energy: 0.4592394633514852
Energy: 0.4640527088516111
Energy: 0.444412479514191
Energy: 0.45906098493168973
Energy: 0.45517562733972045
Energy: 0.46908636745492377
Energy: 0.460929493124779
Energy: 0.4541922771611712
Energy: 0.4606229887843804
Energy: 0.4536842088053004
Energy: 0.45572650540616844
Energy: 0.45430723737863865
Energy: 0.4543374700555309
Energy: 0.4558900909206877
Energy: 0.4512496084271828
Energy: 0.4546202854640908
Energy: 0.4545273193496317
Energy: 0.4621072725211095
Energy: 0.45338224709678165
Energy: 0.4701636886019283
Energy: 0.46430963022432997
Energy: 0.4539597419882346
Energy: 0.4610241657838412
Energy: 0.45401039365148443
Energy: 0.45409786470802743
Energy: 0.4674547067858824
Energy: 0.45409296257733384
Energy: 0.4596373894130149
Energy: 0.4604255156330699
Energy: 0.4544065359794443
Energy: 0.4544119225968363
Energy: 0.4566102237393743
Energy: 0.45451874177982327
Energy: 0.4567385958112753
Energy: 0.45399074987321164
Energy: 0.4644171836145835
Energy: 0.4610310725675074
Energy: 0.4681709022894029
Energy: 0.46670735433510396
Energy: 0.45386448722219164
Energy: 0.5317374570469005
Energy: 0.46223623368151373
Energy: 0.46409004895500516
Energy: 0.4777175214301571
Energy: 0.44704196447979333
Energy: 0.4856899705073088
Energy: 0.47621477564321335
Energy: 0.45467554315817355
Energy: 0.45500300531965493
Energy: 0.46875392718141246
Energy: 0.4633377318778177
Energy: 0.4753384495863178
Energy: 0.5081369605907464
Energy: 0.45477461109398415
Energy: 0.4543105195941165
Energy: 0.4575432299346821
Energy: 0.45653060177562815
Energy: 0.4541617742720742
Energy: 0.5068752577280031
Energy: 0.45342933754734355
Energy: 0.45297209346539924
Energy: 0.4698613829994476
Energy: 0.4533468782721904
Energy: 0.4537075339478847
Energy: 0.4918697920071563
Energy: 0.45390552716876165
Energy: 0.46111139265039447
Energy: 0.45463577069169825
Energy: 0.4542045809109914
Energy: 0.45658665469618975
Energy: 0.4914493401589212
Energy: 0.46066310440741676
Energy: 0.4613166587345271
Energy: 0.45612420354908434
Energy: 0.46592188455642597
Energy: 0.4599682993325308
Energy: 0.4946116790631617
Energy: 0.46095076183797196
Energy: 0.46415573343230104
Energy: 0.4543555545694789
Energy: 0.46518614402035496
Energy: 0.4593693100073109
Energy: 0.454743823593473
Energy: 0.4564869512533735
Energy: 0.4551054857690698
Energy: 0.4547485048475193
Energy: 0.45418329224993276
Energy: 0.45422513003730425
Energy: 0.45405855696995656
Energy: 0.4600141139862546
Energy: 0.46229175270654455
Energy: 0.45372804422028035
Energy: 0.45753003968144546
Energy: 0.45900025347583373
Energy: 0.4488444785039539
Energy: 0.4888718858210955
Energy: 0.47232754107024877
Energy: 0.4663039829141464
Energy: 0.49377538958669787
Energy: 0.4477246529735107

minimum gb energy = 0.444412479514191 eV
minimum distance =  2.69304625478524 Angstroms
sigma value = 57


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

Energy: 0.6311188072998437
Energy: 0.4740199369207911
Energy: 0.4737113113353263
Energy: 0.43656316917655064
Energy: 0.542717131119799
Energy: 0.47378349892321553
Energy: 0.43546089073196337
Energy: 0.45666275439520926
Energy: 0.45955305386747497
Energy: 0.47095708943888065
Energy: 0.4672952188075511
Energy: 0.45585408205517713
Energy: 0.48106283352116386
Energy: 0.4374371241083482
Energy: 0.4381200055556868
Energy: 0.4646276096742078
Energy: 0.43533422988084025
Energy: 0.4383695431774742
Energy: 0.4610790176701479
Energy: 0.4351876290962791
Energy: 0.4361959403216427
Energy: 0.4603187162507331
Energy: 0.435083505764107
Energy: 0.4541820129302347
Energy: 0.46782675779278377
Energy: 0.45255939374375387
Energy: 0.4526147711438721
Energy: 0.4679382386975753
Energy: 0.4546624778837187
Energy: 0.4511441991728582
Energy: 0.43531721904434845
Energy: 0.4537240259866285
Energy: 0.4526148484436257
Energy: 0.45245999414027677
Energy: 0.4551410810635837
Energy: 0.45165425977644863
Energy: 0.469456939854718
Energy: 0.4638430599820025
Energy: 0.4548773688510046
Energy: 0.45697724832485986
Energy: 0.46195714513828134
Energy: 0.4540926543645733
Energy: 0.4723127160736245
Energy: 0.46294800252827645
Energy: 0.45468431587007235
Energy: 0.4529055052404272
Energy: 0.45641441170644936
Energy: 0.45389317266813856
Energy: 0.46902779552234847
Energy: 0.4710653949217371
Energy: 0.45774647455294276
Energy: 0.4688767707452398
Energy: 0.4693381561301469
Energy: 0.46008966637368254
Energy: 0.4596697473045265
Energy: 0.45442240877837975
Energy: 0.45926578251542444
Energy: 0.45999282711933637
Energy: 0.45225420782802883
Energy: 0.46075582429343137
Energy: 0.481336340120358
Energy: 0.4520498518359467
Energy: 0.4546538516049426
Energy: 0.4627490332561483
Energy: 0.4512370807469856
Energy: 0.45603968899969805
Energy: 0.433597726950901
Energy: 0.4641585739765918
Energy: 0.4556580935088266
Energy: 0.43529144768103534
Energy: 0.46302564510192235
Energy: 0.43561790498283554
Energy: 0.4358531020863042
Energy: 0.46562964257358486
Energy: 0.4831480042743579
Energy: 0.4385449312053223
Energy: 0.459237488011736
Energy: 0.4379258390131795
Energy: 0.4786053431646337
Energy: 0.45995497134826896
Energy: 0.454926595819648
Energy: 0.46782003994666926
Energy: 0.46796217108690946
Energy: 0.456013371815077
Energy: 0.4557420368071551
Energy: 0.4348941753026817
Energy: 0.43570335046992215
Energy: 0.45594391257910477
Energy: 0.4352484303179445
Energy: 0.4358804798199239
Energy: 0.4645298429056204
Energy: 0.45070382169769646
Energy: 0.4551078435551721
Energy: 0.46280530479335735
Energy: 0.45541965582464383
Energy: 0.4540750495905274
Energy: 0.4730606747381344
Energy: 0.45380942696461096
Energy: 0.45349119553761724
Energy: 0.45557146715786967
Energy: 0.4532334503540082
Energy: 0.45222412154513714
Energy: 0.47256453142653637
Energy: 0.45391905920023906
Energy: 0.45229238328026794
Energy: 0.45468174100710496
Energy: 0.46912292307105086
Energy: 0.4516569292653194
Energy: 0.4702402912471398
Energy: 0.4616911275632024
Energy: 0.45501682134645216
Energy: 0.4554531388381104
Energy: 0.46025184089066057
Energy: 0.4546111564478982
Energy: 0.4701931387023242
Energy: 0.46454779854980793
Energy: 0.4558026933847612
Energy: 0.45622198551850107
Energy: 0.46294021194723256
Energy: 0.4570757222745785
Energy: 0.4648679843250026
Energy: 0.46006106191195206
Energy: 0.4548310646706768
Energy: 0.46528372352005487
Energy: 0.4728249285896178
Energy: 0.46538676681838226
Energy: 0.5047305614567094
Energy: 0.45184975747051376
Energy: 0.45421963682210487
Energy: 0.457380910784603
Energy: 0.45374162652292394
Energy: 0.4582868639401602
Energy: 0.4782333278432281
Energy: 0.4734700309832281
Energy: 0.46078926178383667
Energy: 0.46748350278966555
Energy: 0.4703989461109434
Energy: 0.4653959337361834
Energy: 0.4361198569498274
Energy: 0.4648452863128704
Energy: 0.48285473443128574
Energy: 0.438664522761278
Energy: 0.4607411821968736
Energy: 0.43830310917173937

minimum gb energy = 0.433597726950901 eV
minimum distance =  2.71644358489246 Angstroms
sigma value = 17


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

Energy: 0.4256231041103821
Energy: 0.5095915132402318
Energy: 0.5092994702560929
Energy: 0.45076876345316774
Energy: 0.48754052792892066
Energy: 0.4515000095135749
Energy: 0.4551005057658125
Energy: 0.4983783847717055
Energy: 0.47393312373586743
Energy: 0.5129449460716645
Energy: 0.5054035972299437
Energy: 0.46671515881812875
Energy: 0.4530698567478825
Energy: 0.4506665675250858
Energy: 0.451547019764885
Energy: 0.49267945066337715
Energy: 0.4520055095772185
Energy: 0.4520597987903942
Energy: 0.4941808539765895
Energy: 0.4519878121930577
Energy: 0.45102805198151064
Energy: 0.49414251926664815
Energy: 0.4200716416422642
Energy: 0.469232187195293
Energy: 0.4428709910686124
Energy: 0.4398160526863491
Energy: 0.43912915823602194
Energy: 0.4435670735167525
Energy: 0.4397635677907646
Energy: 0.44333056196960974
Energy: 0.45124058111821824
Energy: 0.4429183329754964
Energy: 0.4417212443125711
Energy: 0.4238609805062126
Energy: 0.44244798967757765
Energy: 0.42214754455712594
Energy: 0.4378836280532696
Energy: 0.4367146291238844
Energy: 0.43695510557139816
Energy: 0.44125284706005086
Energy: 0.4395967405287573
Energy: 0.4282769045256972
Energy: 0.4377245337808402
Energy: 0.4228288926924119
Energy: 0.4231588929559959
Energy: 0.4227801594951747
Energy: 0.42255793648180395
Energy: 0.4748470356356878
Energy: 0.43812114453694195
Energy: 0.4213535964611621
Energy: 0.4209264075772554
Energy: 0.4393149694998623
Energy: 0.42228231345905615
Energy: 0.42906373166601913
Energy: 0.44220671865400074
Energy: 0.43894483771005605
Energy: 0.445361563286363
Energy: 0.4422398291284059
Energy: 0.43856090954612237
Energy: 0.44188988854019917
Energy: 0.4368259493634611
Energy: 0.4402516582197241
Energy: 0.4433271861451548
Energy: 0.4396993540112327
Energy: 0.4446535128215789
Energy: 0.44017241034601795
Energy: 0.44381608885635315
Energy: 0.49385814259378674
Energy: 0.46932493507132234
Energy: 0.4428728374887796
Energy: 0.4945633875381977
Energy: 0.46902055747651983
Energy: 0.4382082778445232
Energy: 0.49636266054929407
Energy: 0.4965318129023485
Energy: 0.44033349639861
Energy: 0.4926353974166161
Energy: 0.46871491479738303
Energy: 0.5063911967841946
Energy: 0.5065446854902061
Energy: 0.4661736149040817
Energy: 0.5140972594126461
Energy: 0.5090333533485388
Energy: 0.46896875099757623
Energy: 0.4806759867119566
Energy: 0.5022380045183951
Energy: 0.5022296326069766
Energy: 0.49233938948504213
Energy: 0.4944595500712071
Energy: 0.4891521657231595
Energy: 0.4537126773077487
Energy: 0.5121361738217566
Energy: 0.46957748715536846
Energy: 0.4932695323243761
Energy: 0.5130454729454502
Energy: 0.4677873369385707
Energy: 0.42136385674437354
Energy: 0.49631401896409083
Energy: 0.5014856172812395
Energy: 0.42716007040334303
Energy: 0.49320110194218697
Energy: 0.44790290135468225

minimum gb energy = 0.4200716416422642 eV
minimum distance =  2.71352534041456 Angstroms
sigma value = 17


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

Energy: 0.7946949854234505
Energy: 0.5443947921099899
Energy: 0.4657141423012762
Energy: 0.448471735243029
Energy: 0.5023027332840349
Energy: 0.4499253050661561
Energy: 0.4588021317869823
Energy: 0.426389522866491
Energy: 0.4272866922131633
Energy: 0.5129545482513929
Energy: 0.5124556709508987
Energy: 0.4642631065711298
Energy: 0.5989827245399999
Energy: 0.4060854416458004
Energy: 0.44066834567512103
Energy: 0.5140079455912507
Energy: 0.4054812532751863
Energy: 0.4401390355261898
Energy: 0.5110313056554552
Energy: 0.4327683238949791
Energy: 0.4549573697696459
Energy: 0.5116252498085893
Energy: 0.4092686106600298
Energy: 0.45828054657953826
Energy: 0.4423346483131528
Energy: 0.426128888153948
Energy: 0.4273475040534056
Energy: 0.44162159662195616
Energy: 0.4346684300457899
Energy: 0.428839545991352
Energy: 0.4476638933430627
Energy: 0.42349574829015024
Energy: 0.40329224592042723
Energy: 0.4129786926546836
Energy: 0.4364286939694158
Energy: 0.40460552174342007
Energy: 0.4055713331164046
Energy: 0.4411515088904996
Energy: 0.43589238946135894
Energy: 0.4011068178239998
Energy: 0.43779694289143894
Energy: 0.3980277535976999
Energy: 0.42078833096749185
Energy: 0.394716634750585
Energy: 0.4012611343672379
Energy: 0.4001528601878267
Energy: 0.3945794325313019
Energy: 0.44626232543204897
Energy: 0.406445764925137
Energy: 0.4052701511912531
Energy: 0.40725444859990434
Energy: 0.4073200612145967
Energy: 0.40099900800049243
Energy: 0.4059319554912304
Energy: 0.405738080233788
Energy: 0.3939895806648207
Energy: 0.3941869705170353
Energy: 0.4059779484858076
Energy: 0.39413118682803683
Energy: 0.39370832639594294
Energy: 0.4127235110847902
Energy: 0.40665985370406793
Energy: 0.39278149923725997
Energy: 0.3938830860282816
Energy: 0.4057419046163067
Energy: 0.3929739435050429
Energy: 0.40765622896494924
Energy: 0.4110574623825387
Energy: 0.406257115348997
Energy: 0.41286847945231236
Energy: 0.40953311183647756
Energy: 0.4063853562073944
Energy: 0.41731314076490655
Energy: 0.40038156433430466
Energy: 0.4009772203634415
Energy: 0.39846877917236817
Energy: 0.44650369370089465
Energy: 0.40326864881829205
Energy: 0.4352558578275499
Energy: 0.3982621209745316
Energy: 0.3981877011973861
Energy: 0.4362411502566782
Energy: 0.40000249342834243
Energy: 0.43648198491360984
Energy: 0.4368073898486055
Energy: 0.4004691421870837
Energy: 0.399537861044412
Energy: 0.4362696916735554
Energy: 0.4032176409108034
Energy: 0.4234326056755914
Energy: 0.5074712280092475
Energy: 0.44261464295264336
Energy: 0.4306536614879988
Energy: 0.4340630062695754
Energy: 0.44255947065283857
Energy: 0.42695919347858036
Energy: 0.40612900931080825
Energy: 0.5083350599640096
Energy: 0.4388883312493746
Energy: 0.4075823190710758
Energy: 0.5142343245420985
Energy: 0.4231138480557453
Energy: 0.4064076720977375
Energy: 0.5049919101679557
Energy: 0.49671638939248836
Energy: 0.4075935824654592
Energy: 0.5124428299616038
Energy: 0.43524566603906567
Energy: 0.5661868088359913
Energy: 0.49577110540798963
Energy: 0.4649611774857109
Energy: 0.5080470637524372
Energy: 0.4282782869185968
Energy: 0.4277996512730878
Energy: 0.47847283567653015
Energy: 0.4361747814755942
Energy: 0.4357666132436905
Energy: 0.49530892288264194
Energy: 0.4363691978658681
Energy: 0.47566462900779655
Energy: 0.4993605571532304
Energy: 0.5030892996564618
Energy: 0.4637575910646823
Energy: 0.5096749334295873
Energy: 0.5142913981457545
Energy: 0.42708991698762927
Energy: 0.41271930050960454
Energy: 0.4854446907062432
Energy: 0.534191593611616
Energy: 0.40750081202478877
Energy: 0.48861938750221806
Energy: 0.45409024569148554
Energy: 0.4152799876582798
Energy: 0.5037071606582642
Energy: 0.4301007353626654
Energy: 0.41758282312137307
Energy: 0.5017659594934688
Energy: 0.4789442180974807
Energy: 0.5973044313370628
Energy: 0.41309600151455983
Energy: 0.4251962991004069
Energy: 0.5091154508310302
Energy: 0.4153739456796037
Energy: 0.5046231843184771
Energy: 0.46189724733637444
Energy: 0.4088493947793529
Energy: 0.44020150803364894
Energy: 0.46185410142435784
Energy: 0.4084420315625282
Energy: 0.44431215145953745
Energy: 0.44480971195536345
Energy: 0.4244060585125864
Energy: 0.4252587248029782
Energy: 0.44499547205879386
Energy: 0.434523666052905
Energy: 0.4058516759799059
Energy: 0.398982917999962
Energy: 0.42656510623611316
Energy: 0.4280498114529222
Energy: 0.4056614014436022
Energy: 0.43139450830617515
Energy: 0.41133426478099744
Energy: 0.4031590643270746
Energy: 0.4406934814723536
Energy: 0.43538065256951397
Energy: 0.4038595877176202
Energy: 0.43778784844714935
Energy: 0.4355519605395746
Energy: 0.4192231071627699
Energy: 0.4000526957739823
Energy: 0.3996279669670084
Energy: 0.40098058093659805
Energy: 0.4115883822942578
Energy: 0.3998670561037855
Energy: 0.4139566056685747
Energy: 0.3939812763400404
Energy: 0.40072899637109594
Energy: 0.41392991296359166
Energy: 0.3940242494929611
Energy: 0.4015381483206326
Energy: 0.40893069965405315
Energy: 0.39185212390083324
Energy: 0.3910420817670967
Energy: 0.40994000496027655
Energy: 0.39170569120066817
Energy: 0.39099187197929525
Energy: 0.41532068316427717
Energy: 0.3919679903555248
Energy: 0.3922182096372766
Energy: 0.393223239714784
Energy: 0.39158398839254516
Energy: 0.39217535566761064
Energy: 0.41117479843718807
Energy: 0.41029554396124396
Energy: 0.40506316765967515
Energy: 0.4112892533475764
Energy: 0.40675488172051893
Energy: 0.40586099717218826
Energy: 0.42764243792875006
Energy: 0.3981740422744572
Energy: 0.397368501386973
Energy: 0.3991285943088592
Energy: 0.40163451856484944
Energy: 0.3978050769305808
Energy: 0.44016077764378203
Energy: 0.397887761177302
Energy: 0.39720523138200975
Energy: 0.44099988761273523
Energy: 0.39895029863621717
Energy: 0.3975726385916358
Energy: 0.44204622010825817
Energy: 0.3997940258483516
Energy: 0.4240862916714348
Energy: 0.4427925140635735
Energy: 0.39970799359229386
Energy: 0.43705781367039065
Energy: 0.5649191071682936
Energy: 0.423054085519469
Energy: 0.42280523469967723
Energy: 0.4373880105468511
Energy: 0.4053344808649717
Energy: 0.42922045398173486
Energy: 0.4105454967219457
Energy: 0.43474679806542643
Energy: 0.4355120197191717
Energy: 0.428767208899495
Energy: 0.5092670196512761
Energy: 0.4361543424456567
Energy: 0.4056578015917065
Energy: 0.484218792487253
Energy: 0.43605398293556485
Energy: 0.4307629802440444
Energy: 0.4929361716798683
Energy: 0.43606558623887326
Energy: 0.4420478270810507
Energy: 0.5148081131347292
Energy: 0.48551084652504534
Energy: 0.4428623979030665
Energy: 0.509844997325444
Energy: 0.47373832962821405
Energy: 0.5172477770734726
Energy: 0.42943113381483605
Energy: 0.4838324324900223
Energy: 0.45936050821018565
Energy: 0.4292814449819575
Energy: 0.4923869033425743
Energy: 0.5965530134767806
Energy: 0.4742228055233275
Energy: 0.4270612424329988
Energy: 0.5096874829683141
Energy: 0.4320880181005059
Energy: 0.5048638018285397
Energy: 0.4163042018707957
Energy: 0.5035355316379218
Energy: 0.5047394355492432
Energy: 0.4179708621604787
Energy: 0.49981352651985916
Energy: 0.40691011044193903

minimum gb energy = 0.39099187197929525 eV
minimum distance =  2.72865817603468 Angstroms
sigma value = 57


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

Energy: 0.3831420454991096
Energy: 0.4848163952839396
Energy: 0.44863512186048654
Energy: 0.39460163714907726
Energy: 0.5586186772238838
Energy: 0.4307040557392384
Energy: 0.4642173367608902
Energy: 0.4079166511726464
Energy: 0.4095327982646403
Energy: 0.5013985430776589
Energy: 0.4078105340454398
Energy: 0.40907894421791635
Energy: 0.5685658317081713
Energy: 0.3886730660562037
Energy: 0.39066726031354665
Energy: 0.5032880002493011
Energy: 0.3886883834900913
Energy: 0.43032860628990655
Energy: 0.4904163775373946
Energy: 0.39170665273677713
Energy: 0.4427412353527277
Energy: 0.44791156334268073
Energy: 0.38095613197000167
Energy: 0.44468003645632803
Energy: 0.42509455051479106
Energy: 0.41155026099020087
Energy: 0.4100386754608722
Energy: 0.4255572869688545
Energy: 0.41193994674712053
Energy: 0.4123116212451677
Energy: 0.4132743936159126
Energy: 0.408518597366224
Energy: 0.38861025153442924
Energy: 0.3740649350361841
Energy: 0.44180293935659326
Energy: 0.39190283783826224
Energy: 0.4061835664626375
Energy: 0.43561996469086783
Energy: 0.43896322898807194
Energy: 0.3803352802608063
Energy: 0.4326709574418222
Energy: 0.3805958711190466
Energy: 0.5139285074395613
Energy: 0.3759981375097164
Energy: 0.37583138050662995
Energy: 0.38049978576487176
Energy: 0.36861117201616117
Energy: 0.3847710918770996
Energy: 0.3970944142563134
Energy: 0.3742903111129924
Energy: 0.39549560205614637
Energy: 0.3974150161836275
Energy: 0.379885792746035
Energy: 0.40479317275755977
Energy: 0.40368486168077294
Energy: 0.3672987192137673
Energy: 0.3671345080581522
Energy: 0.4041940062273125
Energy: 0.3677271654067731
Energy: 0.36740734869958036
Energy: 0.3823635160102437
Energy: 0.3803800314903515
Energy: 0.3753212784852125
Energy: 0.36948063317276975
Energy: 0.3880631830747709
Energy: 0.37453546103421526
Energy: 0.3971368354031487
Energy: 0.3845319477132951
Energy: 0.38821385017871746
Energy: 0.3779149194387771
Energy: 0.38163469072632117
Energy: 0.3649183284956464
Energy: 0.3960574928855828
Energy: 0.36622428627505543
Energy: 0.3658877362569832
Energy: 0.36733352577274336
Energy: 0.4041220968258811
Energy: 0.36604350782315437
Energy: 0.37913436086564456
Energy: 0.36605402953746813
Energy: 0.3742039859381227
Energy: 0.38030991421862437
Energy: 0.3811436737218168
Energy: 0.3882350570184254
Energy: 0.37874155777114815
Energy: 0.3699790411012439
Energy: 0.37011713992289097
Energy: 0.3787848437451605
Energy: 0.37099731735336705
Energy: 0.3699246876941623
Energy: 0.40794478946624246
Energy: 0.40320824573942987
Energy: 0.3680957295214931
Energy: 0.3685333674384484
Energy: 0.4020483950190014
Energy: 0.3676803453122324
Energy: 0.380003700268895
Energy: 0.40230899137953086
Energy: 0.3959140752401087
Energy: 0.3749571495583018
Energy: 0.4001201311390795
Energy: 0.3848056382085488
Energy: 0.38062728023672404
Energy: 0.3850065808873812
Energy: 0.38505937250948674
Energy: 0.38142436075978076
Energy: 0.38513743527851785
Energy: 0.38557602075667785
Energy: 0.43045556490225867
Energy: 0.38134132601692133
Energy: 0.4058383934915286
Energy: 0.43159856973434324
Energy: 0.37865085799179715
Energy: 0.43882634867844245
Energy: 0.4881910487386631
Energy: 0.38142983105032857
Energy: 0.38046611205688585
Energy: 0.4255191787456599
Energy: 0.38244394684105204
Energy: 0.40868421720746534
Energy: 0.5388507218014239
Energy: 0.424922576917789
Energy: 0.3909120047683666
Energy: 0.42483919230891803
Energy: 0.4243478616791196
Energy: 0.40880502962951887
Energy: 0.3787909638534131
Energy: 0.4822737105146789
Energy: 0.41585391563029384
Energy: 0.37992628475667406
Energy: 0.4669827748617134
Energy: 0.4062535620349994
Energy: 0.39876032873877004
Energy: 0.45584155171501795
Energy: 0.4782421014645778
Energy: 0.3925284237917797
Energy: 0.46401855232100025
Energy: 0.4625894404132169
Energy: 0.5381597359103377
Energy: 0.42778985901751715
Energy: 0.4123346230391155
Energy: 0.424289599455487
Energy: 0.4229534666631793
Energy: 0.41132463474976616
Energy: 0.5734983939010968
Energy: 0.4181585278177854
Energy: 0.4182719831011294
Energy: 0.4768935698545508
Energy: 0.4092212316715113
Energy: 0.45997546017188307
Energy: 0.5662611746789246
Energy: 0.4533223850064264
Energy: 0.40787896946705965
Energy: 0.4988027880205135
Energy: 0.4595638948657206
Energy: 0.40839850029042923
Energy: 0.38233480699943595
Energy: 0.4548137273218861
Energy: 0.43826612731766457
Energy: 0.39136338948394983
Energy: 0.45974278021537407
Energy: 0.4378763829227719

minimum gb energy = 0.3649183284956464 eV
minimum distance =  2.72693232737999 Angstroms
sigma value = 43


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

Energy: 0.33483049305328916
Energy: 0.3932105708434314
Energy: 0.4045364936218017
Energy: 0.33752638158883363
Energy: 0.44043212850509234
Energy: 0.3763453954321078
Energy: 0.4747952255877453
Energy: 0.34766790428140226
Energy: 0.34847229321763235
Energy: 0.3812088769481737
Energy: 0.3532730367221082
Energy: 0.34898107771888925
Energy: 0.48609637857762683
Energy: 0.3286429022935675
Energy: 0.34309493369004546
Energy: 0.3849657109265635
Energy: 0.3287483580684156
Energy: 0.34382480492079637
Energy: 0.43513327080906855
Energy: 0.3423253729197077
Energy: 0.3434248774788527
Energy: 0.3763469624981914
Energy: 0.32732933127775654
Energy: 0.3675744039766583
Energy: 0.3866917050837005
Energy: 0.35117808679306955
Energy: 0.35154005840865776
Energy: 0.37962662571635936
Energy: 0.3512881258023969
Energy: 0.3481984669128202
Energy: 0.3226770521599327
Energy: 0.34729780526199383
Energy: 0.3389441244381248
Energy: 0.34630787469846275
Energy: 0.38833661806194125
Energy: 0.3299040221904918
Energy: 0.453670987538693
Energy: 0.36783461838428677
Energy: 0.38849148485843416
Energy: 0.3280173811898501
Energy: 0.3913084656121069
Energy: 0.3274124812885186
Energy: 0.44924911903590586
Energy: 0.3135113020065414
Energy: 0.3208729646367493
Energy: 0.3277322734004822
Energy: 0.31431469622953034
Energy: 0.3207542824903107
Energy: 0.35840271376198657
Energy: 0.32163020061398057
Energy: 0.3288199017277981
Energy: 0.35939572968761657
Energy: 0.3235842246692493
Energy: 0.3573951894238021
Energy: 0.36498572184878664
Energy: 0.31514335272808386
Energy: 0.3150552924396533
Energy: 0.3576371076671439
Energy: 0.3154955408688412
Energy: 0.31510713030839316
Energy: 0.31964224657737106
Energy: 0.3378425874757663
Energy: 0.31301481306860585
Energy: 0.30665695544723653
Energy: 0.3376303983216405
Energy: 0.3101516090768287
Energy: 0.3593284776774789
Energy: 0.33771017069229387
Energy: 0.33762467657412404
Energy: 0.3098420493103256
Energy: 0.3419248150666564
Energy: 0.30980808459028386
Energy: 0.3583321013173362
Energy: 0.32032955714858874
Energy: 0.3069541396287722
Energy: 0.33632773301588276
Energy: 0.33163830909427006
Energy: 0.3086296970396093
Energy: 0.32635354918600895
Energy: 0.30834888714419656
Energy: 0.3316133117161307
Energy: 0.32719251338834765
Energy: 0.32144672701387206
Energy: 0.32633669290138023
Energy: 0.3269254217088602
Energy: 0.30534018070215263
Energy: 0.3052384380788587
Energy: 0.3267194296679805
Energy: 0.30570118584574046
Energy: 0.30513540475346396
Energy: 0.3229146235213018
Energy: 0.32155696516359766
Energy: 0.30630379783820627
Energy: 0.3059115901674715
Energy: 0.3210110085248379
Energy: 0.30644420670792033
Energy: 0.32791711051783634
Energy: 0.3212895072341863
Energy: 0.32165200451568926
Energy: 0.3067828137879087
Energy: 0.32107405772184866
Energy: 0.30706015461505026
Energy: 0.3266806904129157
Energy: 0.30673698954074224
Energy: 0.30653809335130305
Energy: 0.32242415645380185
Energy: 0.30633926395310196
Energy: 0.306491878456352
Energy: 0.32080644709677364
Energy: 0.31855530918582003
Energy: 0.32161234712678216
Energy: 0.3218215343740708
Energy: 0.33599849578790725
Energy: 0.3212546983520444
Energy: 0.3373078557374649
Energy: 0.308854936610964
Energy: 0.30876447386951644
Energy: 0.3160690825709656
Energy: 0.30843881019843805
Energy: 0.30885436582788767
Energy: 0.3393447570268764
Energy: 0.326425571094602
Energy: 0.3267619596590144
Energy: 0.3082296908343702
Energy: 0.33213144490391855
Energy: 0.30925151693535685
Energy: 0.3373651308933858
Energy: 0.32651525581752905
Energy: 0.3091806855781143
Energy: 0.3078587436234782
Energy: 0.32625049722913047
Energy: 0.30614797499535357
Energy: 0.3467996060957618
Energy: 0.3082204310086475
Energy: 0.30824850902263484
Energy: 0.35048767208215575
Energy: 0.30863354304128415
Energy: 0.3080069652755001
Energy: 0.33765023110689396
Energy: 0.31103743017526997
Energy: 0.34081010593173977
Energy: 0.33848852194800993
Energy: 0.31918693623056915
Energy: 0.3375585350970608
Energy: 0.4355072564820311
Energy: 0.3240942928554792
Energy: 0.31496640910656476
Energy: 0.3472126277306303
Energy: 0.32359607219212994
Energy: 0.31450033057938276
Energy: 0.40713034268935067
Energy: 0.35712517875264543
Energy: 0.3573176924122088
Energy: 0.3142861427959276
Energy: 0.361194898296513
Energy: 0.31425353343257695
Energy: 0.3212554302814339
Energy: 0.3572720256455193
Energy: 0.3258412654927177
Energy: 0.31334505728225676
Energy: 0.35725620843287176
Energy: 0.31713175883523964
Energy: 0.35483251847807734
Energy: 0.32879433151641974
Energy: 0.3285523266733324
Energy: 0.36699732143255054
Energy: 0.32872920035063574
Energy: 0.3270833694969078
Energy: 0.3904500520097805
Energy: 0.33313782021859056
Energy: 0.3473734823393911
Energy: 0.3912358866124663
Energy: 0.3173360682108687
Energy: 0.3677947069817771
Energy: 0.4679857745952854
Energy: 0.32092536232702645
Energy: 0.33218602313442774
Energy: 0.3508610036299157
Energy: 0.32114492698576275
Energy: 0.3323663178805634
Energy: 0.46553590166221664
Energy: 0.3738316792793161
Energy: 0.3737933587816059
Energy: 0.3506655350643686
Energy: 0.37498721668164264
Energy: 0.3742788790787896
Energy: 0.32787158247431525
Energy: 0.3899298463597101
Energy: 0.3692655325435195
Energy: 0.3301048129866226
Energy: 0.41281979722670936
Energy: 0.34405067576432774
Energy: 0.39972762142007967
Energy: 0.3783346497402383
Energy: 0.3837506889515984
Energy: 0.3793518869933943
Energy: 0.37987030782819503
Energy: 0.348831194011324
Energy: 0.4682069455341643
Energy: 0.3576449341359784
Energy: 0.3577633476061574
Energy: 0.35687985400704914
Energy: 0.3242105856123217
Energy: 0.3841498076571068
Energy: 0.48635022974095227
Energy: 0.34144280235455715
Energy: 0.3639952019315617
Energy: 0.39059957447231675
Energy: 0.34231530655956866
Energy: 0.3810161171883146
Energy: 0.4586963036314356
Energy: 0.3852290658075613
Energy: 0.3487592311899119
Energy: 0.3824909639732907
Energy: 0.37958148200338865
Energy: 0.34891270694675963

minimum gb energy = 0.30513540475346396 eV
minimum distance =  2.73732900325515 Angstroms
sigma value = 81


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

Energy: 0.17226512154458068
Energy: 0.1920568569202139
Energy: 0.02453686682725882
Energy: 0.025747089488248016
Energy: 0.3129873092681512
Energy: 0.17248087534475093
Energy: 0.19197039749941508
Energy: 0.33842664077421164
Energy: 0.3221056864644441
Energy: 0.3437673908687556
Energy: 0.34394902812040645
Energy: 0.33743456935881966
Energy: 0.3354838543218099
Energy: 0.02460845004668743
Energy: 0.024595082767863836
Energy: 0.3414023671576795
Energy: 0.02450112053453162
Energy: 0.04619085833456828
Energy: 0.3272292572295849
Energy: 0.02462395620552332
Energy: 0.02485500433802922
Energy: 0.32884611038836653
Energy: 0.02461566930179559
Energy: 0.045349790448309876
Energy: 0.04523466754092762
Energy: 0.3592870424268047
Energy: 0.35174710233529843
Energy: 0.045632699933498944
Energy: 0.3516360653772737
Energy: 0.3416007313100019
Energy: 0.02496130279771786
Energy: 0.32293364916725315
Energy: 0.024658398866000342
Energy: 0.025896383957193327
Energy: 0.32289178903111404
Energy: 0.024717616286766483
Energy: 0.34423992336581205
Energy: 0.33796466213847354
Energy: 0.33759624656930415
Energy: 0.346451410736929
Energy: 0.3376171439421403
Energy: 0.3233312969854425
Energy: 0.3429673359708238
Energy: 0.02458314325344352
Energy: 0.024782737056632594
Energy: 0.34711886661888836
Energy: 0.024469602886044172
Energy: 0.024812051573768576
Energy: 0.3181364675929832
Energy: 0.024820517497671123
Energy: 0.046699341883952576
Energy: 0.3250183632100524
Energy: 0.02462464293341571
Energy: 0.04612130507493094
Energy: 0.17290947542477375
Energy: 0.3546195507380975
Energy: 0.33946940197325065
Energy: 0.024927218672150583
Energy: 0.33963833209407346
Energy: 0.35497132804145

minimum gb energy = 0.024469602886044172 eV
minimum distance =  2.71472368235489 Angstroms
sigma value = 3


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

Energy: 0.3906790762608446
Energy: 0.406301996821259
Energy: 0.3859309173469618
Energy: 0.3609940195419941
Energy: 0.3877076175092806
Energy: 0.36046711321861824
Energy: 0.3918427989908395
Energy: 0.3868589093843749
Energy: 0.35942178039434597
Energy: 0.3875287208975431
Energy: 0.38857825842109633
Energy: 0.35891240543344494
Energy: 0.3956913047893671
Energy: 0.33377102174871703
Energy: 0.3676054314246534
Energy: 0.4033302629839076
Energy: 0.33363765407865964
Energy: 0.3903235459253271
Energy: 0.37559224539596847
Energy: 0.36754982703078104
Energy: 0.3676654628251776
Energy: 0.3758859861229969
Energy: 0.3341590134184857
Energy: 0.38474992255679796
Energy: 0.3412125110877345
Energy: 0.3863582210458566
Energy: 0.35807001753825946
Energy: 0.34120603720978954
Energy: 0.3881197810088893
Energy: 0.3590206170101273
Energy: 0.36715397103687253
Energy: 0.38966100608511955
Energy: 0.3748749288817899
Energy: 0.31673009872453506
Energy: 0.3908946238250137
Energy: 0.3530880955926148
Energy: 0.37241546740242454
Energy: 0.34801876880868443
Energy: 0.3459125916568745
Energy: 0.373923211898418
Energy: 0.348535075056915
Energy: 0.38351167355191124
Energy: 0.37290844228718945
Energy: 0.31890779138543274
Energy: 0.35919828299279566
Energy: 0.3729365902021264
Energy: 0.30275823115555195
Energy: 0.3481731557725077
Energy: 0.31954207344004965
Energy: 0.36022580525868814
Energy: 0.3462580056947323
Energy: 0.31885964334512923
Energy: 0.31780517744931536
Energy: 0.3458742971945462
Energy: 0.3226357078643271
Energy: 0.3454923521223417
Energy: 0.34505482907822627
Energy: 0.3221792162480631
Energy: 0.3478632895569437
Energy: 0.3539764826900723
Energy: 0.30371236278860503
Energy: 0.3210339441133292
Energy: 0.3641525270808657
Energy: 0.3046601006255789
Energy: 0.3038707532408687
Energy: 0.3454575070820902
Energy: 0.3256813757517954
Energy: 0.3696437259861106
Energy: 0.36918232497733217
Energy: 0.32123167529498964
Energy: 0.3176835709609687
Energy: 0.32142469615764235
Energy: 0.32159966433493997
Energy: 0.2941898427867055
Energy: 0.3490216233481436
Energy: 0.3217142346335043
Energy: 0.2973961753202248
Energy: 0.3235023746549257
Energy: 0.29613565774836026
Energy: 0.3332255668872906
Energy: 0.35230517625620644
Energy: 0.3238528759954076
Energy: 0.3053902567387971
Energy: 0.35158976696688654
Energy: 0.3553202465588147
Energy: 0.30442212463108337
Energy: 0.304199856051011
Energy: 0.29742307488512315
Energy: 0.3080887327641812
Energy: 0.3046692893826485
Energy: 0.29689159971809054
Energy: 0.3425998397729291
Energy: 0.3424985183008046
Energy: 0.2982983218307641
Energy: 0.35239861009644646
Energy: 0.3428473996271645
Energy: 0.3002157674588773
Energy: 0.3419538167100338
Energy: 0.340538387605197
Energy: 0.297348233036245
Energy: 0.3066707008138615
Energy: 0.29580482657931
Energy: 0.29590715455595706
Energy: 0.29792788592041297
Energy: 0.33875821266773365
Energy: 0.2960146234212325
Energy: 0.2982711260943432
Energy: 0.33776125274923985
Energy: 0.33032434187933
Energy: 0.319790424356045
Energy: 0.3368520859147502
Energy: 0.29882882090413404
Energy: 0.29702575887600985
Energy: 0.33709818276717346
Energy: 0.3529328586827056
Energy: 0.2957066484938012
Energy: 0.2954862190731182
Energy: 0.35320684449852485
Energy: 0.29989846469583176
Energy: 0.29616680601268036
Energy: 0.35252932992851416
Energy: 0.3449997653826447
Energy: 0.34265646586576065
Energy: 0.35164164028829137
Energy: 0.341721448936417
Energy: 0.3414857222515251
Energy: 0.3084482499581256
Energy: 0.3452256721571253
Energy: 0.3419684239745742
Energy: 0.30705123388651856
Energy: 0.3420934047616534
Energy: 0.3043948703552789
Energy: 0.3047015209966353
Energy: 0.3239682410336793
Energy: 0.352337255733525
Energy: 0.3047144346051123
Energy: 0.3251679130218812
Energy: 0.32297419218671897
Energy: 0.29925939292585885
Energy: 0.32178918877075124
Energy: 0.322194384499213
Energy: 0.29924803421072893
Energy: 0.32094994001677907
Energy: 0.34199452461616325
Energy: 0.30465923806717027
Energy: 0.3214127221544355
Energy: 0.3209243204069758
Energy: 0.3057294268657612
Energy: 0.3251566703142239
Energy: 0.3217068490534832
Energy: 0.3064026665649378
Energy: 0.3118458299687404
Energy: 0.3531904139665538
Energy: 0.30573254122130533
Energy: 0.2958876048226137
Energy: 0.36421627211618074
Energy: 0.34780139824892103
Energy: 0.35324845932209803
Energy: 0.3533021863695474
Energy: 0.3475730979264692
Energy: 0.3095711979551454
Energy: 0.3452821147395925
Energy: 0.3299411079442925
Energy: 0.351193317064119
Energy: 0.35120995748635186
Energy: 0.3298923480792111
Energy: 0.3524183158653681
Energy: 0.340766737720139
Energy: 0.3100148949036241
Energy: 0.37348013948865477
Energy: 0.36510974203401675
Energy: 0.30944594657310726
Energy: 0.3735828338545247
Energy: 0.349050748693125
Energy: 0.34928388277875233
Energy: 0.34222522806706196
Energy: 0.3435071364073466
Energy: 0.34925304098486154
Energy: 0.37658998413345635
Energy: 0.3776158648592679
Energy: 0.3408571063770679
Energy: 0.32542543557124515
Energy: 0.3643458227345187
Energy: 0.3414253175760718
Energy: 0.30634547671353823
Energy: 0.35173040805439076
Energy: 0.40025019375709475
Energy: 0.36613504532609326
Energy: 0.36032172465615636
Energy: 0.3849594766253236
Energy: 0.32523239461149894
Energy: 0.39898943895113803
Energy: 0.3492980732432131
Energy: 0.3727203748899766
Energy: 0.37241508083298236
Energy: 0.3493007045477188
Energy: 0.37598483870155774
Energy: 0.3690460455044357

minimum gb energy = 0.2941898427867055 eV
minimum distance =  2.67987049338572 Angstroms
sigma value = 67


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

Energy: 0.46276159358342744
Energy: 0.4677854443409497
Energy: 0.48892081518461816
Energy: 0.3870091428840086
Energy: 0.5296587648277211
Energy: 0.4162858087953965
Energy: 0.4612055529752451
Energy: 0.4701932630904246
Energy: 0.4736125153094606
Energy: 0.4610321303239628
Energy: 0.4690080526585108
Energy: 0.42429892496036736
Energy: 0.47453190875593526
Energy: 0.4016973131473892
Energy: 0.4500515404759026
Energy: 0.4612100278771443
Energy: 0.39908940308080204
Energy: 0.4197451092974263
Energy: 0.43842481331288974
Energy: 0.43793922689659454
Energy: 0.4229572256109425
Energy: 0.43909868921261624
Energy: 0.44789555236477213
Energy: 0.4210633397305549
Energy: 0.43239533943513214
Energy: 0.43551073523407197
Energy: 0.40183031032807826
Energy: 0.4328516084579789
Energy: 0.4675398928369646
Energy: 0.40064883809679697
Energy: 0.4368613984221978
Energy: 0.4268225013734563
Energy: 0.401477117024301
Energy: 0.3999712163470704
Energy: 0.42592834086485243
Energy: 0.4003819243104768
Energy: 0.4418662370218412
Energy: 0.4030464044863891
Energy: 0.401624502500715
Energy: 0.4421591721515766
Energy: 0.4025380871637746
Energy: 0.40216830375739326
Energy: 0.43948766921666665
Energy: 0.3827952971725554
Energy: 0.4331357714108863
Energy: 0.44011236489963046
Energy: 0.3799180650828052
Energy: 0.40240801450694447
Energy: 0.38576039927378714
Energy: 0.4028046485007906
Energy: 0.402275934173483
Energy: 0.38456046416704537
Energy: 0.39992472465181755
Energy: 0.4019395020006956
Energy: 0.37922110990427504
Energy: 0.4037042511808109
Energy: 0.4055241841601589
Energy: 0.37923212683424795
Energy: 0.40112453164255196
Energy: 0.3996150066283801
Energy: 0.38435983699281895
Energy: 0.4042889978824812
Energy: 0.43410923358333453
Energy: 0.3805278916874538
Energy: 0.4337778827484609
Energy: 0.43508173039587317
Energy: 0.3840052168153158
Energy: 0.4046050368292768
Energy: 0.430558065663155
Energy: 0.3848126642875108
Energy: 0.4026338061120482
Energy: 0.37938679237912504
Energy: 0.3860898271342417
Energy: 0.38494822826066516
Energy: 0.42487935311657377
Energy: 0.38646551462364365
Energy: 0.38152202915372324
Energy: 0.3796744315111099
Energy: 0.4388019782564312
Energy: 0.40786551482202377
Energy: 0.42505111600356066
Energy: 0.38053583481631115
Energy: 0.407460283998455
Energy: 0.4239285051016002
Energy: 0.43135599035828015
Energy: 0.38325567778664216
Energy: 0.38552632655443314
Energy: 0.432159804127055
Energy: 0.380605803585325
Energy: 0.3797296877985544
Energy: 0.43096619559954735
Energy: 0.3867137262475428
Energy: 0.4324122509293955
Energy: 0.38281601784712954
Energy: 0.38124425163015024
Energy: 0.4300511393289966
Energy: 0.40511920555473835
Energy: 0.3782629317409257
Energy: 0.42321751288958914
Energy: 0.4055904015318285
Energy: 0.37529535802162806
Energy: 0.40050019319506025
Energy: 0.40691572256106356
Energy: 0.4045351455806102
Energy: 0.4043791991565648
Energy: 0.40750284038807955
Energy: 0.40255991057795065
Energy: 0.3996062888313549
Energy: 0.42983492373179527
Energy: 0.38532180980969566
Energy: 0.41801600139588185
Energy: 0.3862421111784266
Energy: 0.38024484140160286
Energy: 0.43714154078640877
Energy: 0.4038085064475719
Energy: 0.4407111748105222
Energy: 0.40169575264468393
Energy: 0.4040274127996807
Energy: 0.4376081731326448
Energy: 0.4015313578463866
Energy: 0.43543383501771343
Energy: 0.41858888116128057
Energy: 0.3888375503771988
Energy: 0.4362442412360974
Energy: 0.44355186212772013
Energy: 0.38582600997826355
Energy: 0.47369058811662856
Energy: 0.38776443376290487
Energy: 0.4371510183649049
Energy: 0.4645727525395086
Energy: 0.38527738523264377
Energy: 0.385605748958496
Energy: 0.4610782850575059
Energy: 0.4402510110499639
Energy: 0.443391008079827
Energy: 0.46039617845730646
Energy: 0.43787625136577846
Energy: 0.4031794383056854

minimum gb energy = 0.37529535802162806 eV
minimum distance =  2.66835357668233 Angstroms
sigma value = 33


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

Energy: 0.7552010476361026
Energy: 0.5315682436610665
Energy: 0.5323602219163344
Energy: 0.4483313113751556
Energy: 0.4854389392951369
Energy: 0.5080618193191382
Energy: 0.49639019960645675
Energy: 0.4764626560105053
Energy: 0.4732853689296166
Energy: 0.4746931882768128
Energy: 0.4768811551457232
Energy: 0.4405409630486788
Energy: 0.5366721618157004
Energy: 0.4385012103544503
Energy: 0.4404268000859632
Energy: 0.4763425386898112
Energy: 0.47521342723721877
Energy: 0.47148109192902427
Energy: 0.47377435205756485
Energy: 0.43907966977411095
Energy: 0.49261213730429115
Energy: 0.4742175688064799
Energy: 0.4862556229625251
Energy: 0.43294518907327023
Energy: 0.4731594871226517
Energy: 0.4771657637698055
Energy: 0.43526051597382626
Energy: 0.47286903361092036
Energy: 0.4770243452770699
Energy: 0.4357692424476453
Energy: 0.433026504036574
Energy: 0.4364809047664763
Energy: 0.43713828167488405
Energy: 0.43624985037561803
Energy: 0.4345541172841648
Energy: 0.4342976930057243
Energy: 0.47184984919188366
Energy: 0.4362711278328398
Energy: 0.43623795216371375
Energy: 0.4722174445373922
Energy: 0.4369963546297969
Energy: 0.4416238383482995
Energy: 0.4736814593216338
Energy: 0.4403687529045292
Energy: 0.43510350997456293
Energy: 0.47360511838004454
Energy: 0.4370860628737493
Energy: 0.4389384979586813
Energy: 0.4606564959004938
Energy: 0.4366002573868485
Energy: 0.44339748792487965
Energy: 0.4405421072746374
Energy: 0.43528392088755063
Energy: 0.440064618530798
Energy: 0.46049683679543185
Energy: 0.4389479244972022
Energy: 0.4348231517601329
Energy: 0.4603341557263894
Energy: 0.43546919042593585
Energy: 0.4341748753940631
Energy: 0.45874281271111744
Energy: 0.43505975360674476
Energy: 0.43486501720927223
Energy: 0.43679742322644954
Energy: 0.4607497383040908
Energy: 0.435500204847007
Energy: 0.4336881270532698
Energy: 0.43501467426573565
Energy: 0.43423938435821163
Energy: 0.43397692779909736
Energy: 0.44850942228412316
Energy: 0.43461217593817103
Energy: 0.440739556634012
Energy: 0.44134510659635606
Energy: 0.4947960564465927
Energy: 0.4344334683119713
Energy: 0.44025556386198533
Energy: 0.43428454756307877
Energy: 0.4246284400051289
Energy: 0.4406960421087627
Energy: 0.4377978066458025
Energy: 0.4249294912799257
Energy: 0.4635826580947093
Energy: 0.42253314037017903
Energy: 0.42606806672001896
Energy: 0.47772802902257333
Energy: 0.44053331352778136
Energy: 0.42335347466324796
Energy: 0.47484064700282835
Energy: 0.4658894157186322
Energy: 0.44208286287892656
Energy: 0.4444562385909744
Energy: 0.44508085339970865
Energy: 0.4407617076031837
Energy: 0.4441632517033212
Energy: 0.4400472865515093
Energy: 0.5319843787613894
Energy: 0.4498532148830555
Energy: 0.4440762096240502
Energy: 0.47860430613855953
Energy: 0.446547949396018
Energy: 0.43436391406671
Energy: 0.535767601579941
Energy: 0.47685177899765707
Energy: 0.47366021638531025
Energy: 0.4723161536708499
Energy: 0.47563324819179825
Energy: 0.43702602994186995
Energy: 0.5028976911227985
Energy: 0.4786219729408612
Energy: 0.44720578469407235
Energy: 0.44682098302466133
Energy: 0.4786716325466433
Energy: 0.4236331984112855
Energy: 0.49666123966694703
Energy: 0.47718487382796043
Energy: 0.4776603626661287
Energy: 0.49706274639914777
Energy: 0.47681021849137867
Energy: 0.43516467515236235
Energy: 0.5342829160963851
Energy: 0.4389408081479472
Energy: 0.4546898828576646
Energy: 0.5137086209372564
Energy: 0.4352129784759864
Energy: 0.4379826128271956
Energy: 0.47353072944468416
Energy: 0.4387944722664993
Energy: 0.4395784651331897
Energy: 0.4737740469828133
Energy: 0.4750075757027625
Energy: 0.47516703572123636
Energy: 0.47339705117375924
Energy: 0.4768722997352227
Energy: 0.438017450292958
Energy: 0.4735095636532123
Energy: 0.4769382574522175
Energy: 0.4408949077599239
Energy: 0.4707424545844052
Energy: 0.4371320577952786
Energy: 0.4385757232211855
Energy: 0.4341054881157968
Energy: 0.4358187613029365
Energy: 0.43727092590872585
Energy: 0.4717747684118216
Energy: 0.4360031139605559
Energy: 0.43606733892432814
Energy: 0.4721298038376513
Energy: 0.43612765605313814
Energy: 0.471356210015358
Energy: 0.4770810617673348
Energy: 0.43993293491315894
Energy: 0.4361638489603626
Energy: 0.47764061447003836
Energy: 0.43646599657790974
Energy: 0.4393672149315205
Energy: 0.46133045489865127
Energy: 0.4344945826619049
Energy: 0.4349836279780868
Energy: 0.46003047566692135
Energy: 0.4477142455558873
Energy: 0.49223915003282553
Energy: 0.4609096908255436
Energy: 0.43839270424584004
Energy: 0.43474992504893395
Energy: 0.460670203065535
Energy: 0.4360381054733618
Energy: 0.43424172106197456
Energy: 0.46545791688222177
Energy: 0.46057947708435815
Energy: 0.4362037156443653
Energy: 0.4374698465633445
Energy: 0.4347081784822766
Energy: 0.43595988373070244
Energy: 0.4335007640715747
Energy: 0.43474726416251014
Energy: 0.43519516915153905
Energy: 0.4336490300502637
Energy: 0.4451259277029325
Energy: 0.4345537956515834
Energy: 0.4381490770517502
Energy: 0.4411432490597664
Energy: 0.43456501922239804
Energy: 0.43905390147199147
Energy: 0.4405072718244539
Energy: 0.434226745977338
Energy: 0.42220392444396343
Energy: 0.43975905557186884
Energy: 0.43761937238116494
Energy: 0.4245408416251281
Energy: 0.4607641851763986
Energy: 0.4222055277619144
Energy: 0.4226614332626169
Energy: 0.477287722916329
Energy: 0.4400346941794519
Energy: 0.4236349168341571
Energy: 0.47523392653614627
Energy: 0.4661326022138866
Energy: 0.4412889525200668
Energy: 0.4455412553329061
Energy: 0.4423544199206368
Energy: 0.44092000003054815
Energy: 0.4439523534745161
Energy: 0.4405185056759718
Energy: 0.555805241443192
Energy: 0.44329626196943384
Energy: 0.444228065662964
Energy: 0.5547434542810165
Energy: 0.4252911171566977
Energy: 0.4350852110027963
Energy: 0.5462479804237004
Energy: 0.47343845493875425
Energy: 0.44088364341723
Energy: 0.47565818391130227
Energy: 0.47653287597285965
Energy: 0.4399819736486663
Energy: 0.5052491883028742
Energy: 0.4786692884335244
Energy: 0.4489588421261106
Energy: 0.44498191482540156
Energy: 0.4784923251681545
Energy: 0.47336135651039685

minimum gb energy = 0.42220392444396343 eV
minimum distance =  2.69010559778382 Angstroms
sigma value = 41


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

Energy: 0.7143757190843034
Energy: 0.5709557254635679
Energy: 0.5708787538722502
Energy: 0.5010151569120286
Energy: 0.5388241072895102
Energy: 0.5708675970972541
Energy: 0.5427838049663459
Energy: 0.5299614925124936
Energy: 0.5299256276059493
Energy: 0.5275780704964557
Energy: 0.5289235563714527
Energy: 0.5116181715328398
Energy: 0.6053007959415186
Energy: 0.5012933176842361
Energy: 0.4993211347842571
Energy: 0.5272191635158476
Energy: 0.518945662634592
Energy: 0.5167933383507718
Energy: 0.5304532531481001
Energy: 0.5012442605907168
Energy: 0.4998509123243953
Energy: 0.5304863679314449
Energy: 0.5484891583528934
Energy: 0.5187718343840769
Energy: 0.5179183642198898
Energy: 0.5310647696975566
Energy: 0.560345073501675
Energy: 0.5180361977680416
Energy: 0.5297975657386536
Energy: 0.5008946253273011
Energy: 0.5323679641006162
Energy: 0.5319987432538256
Energy: 0.5012897575372829
Energy: 0.5025961860179622
Energy: 0.5319520680748193
Energy: 0.5008425254117781
Energy: 0.5174914478744521
Energy: 0.512421480752076
Energy: 0.510092189578885
Energy: 0.5178583349943646
Energy: 0.5022069698987685
Energy: 0.502690030002831
Energy: 0.52039890909558
Energy: 0.5018620498693787
Energy: 0.5010635293495505
Energy: 0.5212634786287381
Energy: 0.5030657289850952
Energy: 0.5178603266656878
Energy: 0.5538481016294288
Energy: 0.501973606217294
Energy: 0.5010721872731154
Energy: 0.5557435639072158
Energy: 0.5350299389174404
Energy: 0.5007190228413648
Energy: 0.5323153341489629
Energy: 0.5217979610487561
Energy: 0.5177389095958244
Energy: 0.5243114496203625
Energy: 0.5186257277943875
Energy: 0.5002326908380216
Energy: 0.5256607574504473
Energy: 0.514027470392883
Energy: 0.5032716962009293
Energy: 0.5023265445995477
Energy: 0.4907094786658832
Energy: 0.5033306809201727
Energy: 0.5962461994111912
Energy: 0.4904633170543664
Energy: 0.4906747593138076
Energy: 0.5962617012706287
Energy: 0.4965112182352484
Energy: 0.5285595968098739
Energy: 0.5928995318405788
Energy: 0.5182730071171322
Energy: 0.5142665210968499
Energy: 0.5276065973983798
Energy: 0.5181329870415394
Energy: 0.5109054368531566
Energy: 0.49507182613071343
Energy: 0.5268275112020396
Energy: 0.4951876018838531
Energy: 0.49337324997647025
Energy: 0.5264829201920558
Energy: 0.4908012394009747

minimum gb energy = 0.4904633170543664 eV
minimum distance =  2.67662537084503 Angstroms
sigma value = 11


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

Energy: 0.5631750164282883
Energy: 0.5892297009350712
Energy: 0.569563640441014
Energy: 0.6402904069118757
Energy: 0.6265293620611342
Energy: 0.5812068213832319
Energy: 0.6285821856079394
Energy: 0.5681495864785736
Energy: 0.568010453726868
Energy: 0.5954957597946051
Energy: 0.5682311086003972
Energy: 0.568084611010266
Energy: 0.6369342122682583
Energy: 0.560275983268573
Energy: 0.5783539843465304
Energy: 0.5955692224476866
Energy: 0.5610366664294536
Energy: 0.5792584782824913
Energy: 0.5946014917153918
Energy: 0.5604476091141728
Energy: 0.5795823284191833
Energy: 0.573382762675381
Energy: 0.5773754564438366
Energy: 0.5796156966020397
Energy: 0.5855540790395157
Energy: 0.5676603209416007
Energy: 0.5673072859750247
Energy: 0.5759882871729715
Energy: 0.567740928333481
Energy: 0.5706666140344805
Energy: 0.5940853335094396
Energy: 0.5808264374174481
Energy: 0.5794393902221879
Energy: 0.5702805685422555
Energy: 0.5809272602948252
Energy: 0.5740235278933565
Energy: 0.5812956600228053
Energy: 0.5902652265203289
Energy: 0.5738748902906707
Energy: 0.5810404924540383
Energy: 0.5866562475350219
Energy: 0.5758008044417778
Energy: 0.5750815154046433
Energy: 0.579974642982548
Energy: 0.5851664509811018
Energy: 0.568283901254272
Energy: 0.5779686060542389
Energy: 0.5682889459599961
Energy: 0.5666040422222917
Energy: 0.5699483259589223
Energy: 0.580012500233042
Energy: 0.5697032388816083
Energy: 0.5700837261934407
Energy: 0.5633963450296868
Energy: 0.5666241805653895
Energy: 0.5791547924294218
Energy: 0.5800803688348265
Energy: 0.5706581067211849
Energy: 0.5701001172041665
Energy: 0.563251439240135
Energy: 0.57544514157571
Energy: 0.5765446656607859
Energy: 0.5710406364611584
Energy: 0.5675916800406492
Energy: 0.5762351037838949
Energy: 0.5677215611726366
Energy: 0.570716942720891
Energy: 0.5724302383494455
Energy: 0.5862167998249127
Energy: 0.5710674550427557
Energy: 0.5814140060875608
Energy: 0.5828539820525559
Energy: 0.5672304430059921
Energy: 0.5693338189698837
Energy: 0.5837946867277408
Energy: 0.5671975624959873
Energy: 0.5843496985718157
Energy: 0.5687765114077855
Energy: 0.5857900745868532
Energy: 0.584356396113052
Energy: 0.5841626507839905
Energy: 0.5711861469939129
Energy: 0.5863135879354248
Energy: 0.5842278628131594
Energy: 0.5673533117892161
Energy: 0.569405786448119
Energy: 0.5958291337720978
Energy: 0.5674614922727428
Energy: 0.5742012798691016
Energy: 0.5611887814436022
Energy: 0.5612071097340445
Energy: 0.5694176063310123
Energy: 0.5612840620085107
Energy: 0.5622655689892205
Energy: 0.5746797196351503
Energy: 0.5609993554408002
Energy: 0.5608596362649252
Energy: 0.5860863530026608
Energy: 0.5613382480439739
Energy: 0.5606815636204667
Energy: 0.5707291523884034
Energy: 0.5646768891467282
Energy: 0.5812600128247315
Energy: 0.5865145489789161
Energy: 0.5764580557114675
Energy: 0.6032100541125591
Energy: 0.586485305901801
Energy: 0.5787944609271908
Energy: 0.5714027367123097
Energy: 0.5704768888624121
Energy: 0.569890157906553
Energy: 0.5711447936926044
Energy: 0.5698205528792675
Energy: 0.5755051812714294
Energy: 0.5755677870645867
Energy: 0.5626126749544723
Energy: 0.5627042950243939
Energy: 0.5689858597430397
Energy: 0.5623755169148751
Energy: 0.568667834769237
Energy: 0.6213338811439145
Energy: 0.5620392931155757
Energy: 0.589022768594287
Energy: 0.570034286901902
Energy: 0.5832002046606377
Energy: 0.5765850556941926
Energy: 0.5746478055022567
Energy: 0.5703011197631831
Energy: 0.5691861770828093
Energy: 0.5661464731069142
Energy: 0.5703092951066357
Energy: 0.571633456825963
Energy: 0.5653413128838436
Energy: 0.5729973593201494
Energy: 0.5836258217376777
Energy: 0.5760247291928832
Energy: 0.5738144099968165
Energy: 0.583278626174148
Energy: 0.6069414385643381
Energy: 0.5727014739595391
Energy: 0.5761626268806392
Energy: 0.5761180891126687
Energy: 0.5761051294743131
Energy: 0.5699214145232468
Energy: 0.6321053595855824
Energy: 0.5930828954291189
Energy: 0.5907541101666048
Energy: 0.5893622160788388
Energy: 0.5711458738638928
Energy: 0.5717284244637504
Energy: 0.6178451670347294
Energy: 0.5723290389411528
Energy: 0.5649262623585088
Energy: 0.5699696475147389
Energy: 0.5616507104962353
Energy: 0.5613818915407206
Energy: 0.6173440294298682
Energy: 0.5606908118994269
Energy: 0.5608305794602955
Energy: 0.5739768558865797
Energy: 0.5626987039102183
Energy: 0.5614903162897663
Energy: 0.6167168890060496
Energy: 0.5692962262732411
Energy: 0.5613710752561288
Energy: 0.5783810363151131
Energy: 0.5674169088773099
Energy: 0.5949680046314166
Energy: 0.6061429390911243
Energy: 0.5844457813628443
Energy: 0.5829429609404024
Energy: 0.5906316852785343
Energy: 0.603600510819554
Energy: 0.5811213748361747
Energy: 0.6641350682794716
Energy: 0.5673040429223253
Energy: 0.5682831185019961
Energy: 0.58403963135288
Energy: 0.5671206168142259
Energy: 0.5784220376442949
Energy: 0.5643708753977532
Energy: 0.5728416120632842
Energy: 0.5671794180101547
Energy: 0.5743946043481151
Energy: 0.5714462076033604
Energy: 0.5825457719403525

minimum gb energy = 0.560275983268573 eV
minimum distance =  2.6808973521504 Angstroms
sigma value = 57


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

Energy: 0.8308645399302934
Energy: 0.5825459458872753
Energy: 0.5357142463362015
Energy: 0.5821548413250981
Energy: 0.5733925365116304
Energy: 0.5361843608441614
Energy: 0.5349834546065739
Energy: 0.5511159705923836
Energy: 0.5490495102196946
Energy: 0.548098019007377
Energy: 0.5644844849731897
Energy: 0.5486012238340296
Energy: 0.5653180114306704
Energy: 0.5524070149866859
Energy: 0.5503741959001518
Energy: 0.5664384785360499
Energy: 0.5621461426715614
Energy: 0.5508221577401547
Energy: 0.562485337429136
Energy: 0.5495322133571177
Energy: 0.5479410508648495
Energy: 0.5628549448492984
Energy: 0.5722719564862467
Energy: 0.5481971179548801
Energy: 0.5772929335604573
Energy: 0.5502150016852454
Energy: 0.5496428365886689
Energy: 0.5750381208669778
Energy: 0.5632983808270252
Energy: 0.5478115410637815
Energy: 0.5625669575231181
Energy: 0.5486627654308646
Energy: 0.5495904388078614
Energy: 0.5525975575452416
Energy: 0.5739033611645171
Energy: 0.5501182739426813
Energy: 0.5646915044794076
Energy: 0.5865028376848038
Energy: 0.5860861315566896
Energy: 0.5658470161940083
Energy: 0.5864638710821954
Energy: 0.5484990650676471
Energy: 0.615902972099935
Energy: 0.5507036128387082
Energy: 0.5490053189694843
Energy: 0.5643917134568835
Energy: 0.5745358945014329
Energy: 0.5483666591251333
Energy: 0.5700442726444079
Energy: 0.5489655321668927
Energy: 0.5350378929818105
Energy: 0.5671779510869248
Energy: 0.564218576709824
Energy: 0.535850896557124
Energy: 0.5661999919161972
Energy: 0.5635767298053715
Energy: 0.5351137478321358
Energy: 0.5668225491106527
Energy: 0.5635225122667896
Energy: 0.5354700082717163
Energy: 0.6154004017502489
Energy: 0.5501566592813445
Energy: 0.5490234659971537
Energy: 0.5638230616620615
Energy: 0.5482979502985922
Energy: 0.5483929873613834
Energy: 0.5653741341614309
Energy: 0.5480747176214597
Energy: 0.5495116277040674
Energy: 0.5652858511756873
Energy: 0.5613941421190939
Energy: 0.5538016075250067
Energy: 0.5627164136329268
Energy: 0.5508122109701521
Energy: 0.5484648447143583
Energy: 0.5636313382352502
Energy: 0.5478108763353408
Energy: 0.5480601025616934
Energy: 0.5625136406580985
Energy: 0.5649887708209995
Energy: 0.565119423703053
Energy: 0.5480908179273726
Energy: 0.5648893413616113
Energy: 0.5658983717334877
Energy: 0.5778464903496144
Energy: 0.5812934079118296
Energy: 0.5486553220934532
Energy: 0.5777686714082393
Energy: 0.5807154729140134
Energy: 0.547935930988661
Energy: 0.620052449038302
Energy: 0.5815932737870791
Energy: 0.5356223322846263
Energy: 0.6216028473785528
Energy: 0.5810298507977523
Energy: 0.5507285318976071
Energy: 0.5350845657361459
Energy: 0.5522485874796077
Energy: 0.5491040317506405
Energy: 0.535361162671867
Energy: 0.5653001592518446
Energy: 0.5487112991394784

minimum gb energy = 0.5349834546065739 eV
minimum distance =  2.67470459328694 Angstroms
sigma value = 9


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

Energy: 1.0347040188587675
Energy: 0.6694204712429825
Energy: 0.6140091146990514
Energy: 0.6080774661892184
Energy: 0.6469808109911684
Energy: 0.6139306604721751
Energy: 0.6160480465126547
Energy: 0.613257190529708
Energy: 0.6151098874585214
Energy: 0.614828483393844
Energy: 0.6040883520272374
Energy: 0.6016757382563626
Energy: 0.6008334612890661
Energy: 0.5984764904767378
Energy: 0.5996214524327412
Energy: 0.5923587215941287
Energy: 0.5946945547452224
Energy: 0.5996917791237281
Energy: 0.5915754548834948
Energy: 0.5979723822883274
Energy: 0.6107824049057776
Energy: 0.5911677033327174
Energy: 0.5974717561784294
Energy: 0.5995932373575439
Energy: 0.5929726173292151
Energy: 0.5965256331795671
Energy: 0.5892892274117302
Energy: 0.6013862583412265
Energy: 0.611103369510339
Energy: 0.5809162774244515
Energy: 0.593737258125947
Energy: 0.6048614040259104
Energy: 0.6024199971862003
Energy: 0.5947498838171413
Energy: 0.5940742250649362
Energy: 0.6020684452051857
Energy: 0.5896199270495843
Energy: 0.6066374140467758
Energy: 0.5912894283466873
Energy: 0.5902034569631666
Energy: 0.6078915681164437
Energy: 0.5978624719700624
Energy: 0.6109746123991842
Energy: 0.5999846573782215
Energy: 0.6053978804217227
Energy: 0.5928069345936571
Energy: 0.6011800274253425
Energy: 0.6044238249135575
Energy: 0.6119757675060766
Energy: 0.5931779406451144
Energy: 0.5965805622065014
Energy: 0.6096770986979398
Energy: 0.6042852816541274
Energy: 0.6119499164845611
Energy: 0.6111894126704007
Energy: 0.5927819104209242
Energy: 0.5961113530566269
Energy: 0.6040678573053255
Energy: 0.5902478735379587
Energy: 0.5813521115412474
Energy: 0.6128056927888076
Energy: 0.5994118461383856
Energy: 0.5964354151497152
Energy: 0.5952393178458952
Energy: 0.6021815543132029
Energy: 0.5811141019503531
Energy: 0.6161383061087383
Energy: 0.5988683200317682
Energy: 0.6022703207858037
Energy: 0.604645083138424
Energy: 0.5959189010591784
Energy: 0.6005759014344821
Energy: 0.6238411434830972
Energy: 0.5967946390169208
Energy: 0.5999982484000738
Energy: 0.5923153583791352
Energy: 0.5948538107569729
Energy: 0.6009859692251153
Energy: 0.6115818293808195
Energy: 0.5985774641689234
Energy: 0.5992205854154015
Energy: 0.601519161923457
Energy: 0.5884612854257043
Energy: 0.6178307262871676
Energy: 0.6111206293724954
Energy: 0.6030940763701949
Energy: 0.615837593932516
Energy: 0.6116540321430799
Energy: 0.603771657197134
Energy: 0.6074252073245997
Energy: 0.6013457750599489
Energy: 0.6136447591609127
Energy: 0.588962104196227
Energy: 0.6018713655379294
Energy: 0.6082074401669043
Energy: 0.5938238983702084
Energy: 0.6024946864501652
Energy: 0.6041712213277383
Energy: 0.6105392834136896
Energy: 0.6035120444242397
Energy: 0.5980889340883908
Energy: 0.5999754236321727
Energy: 0.6036934752533683
Energy: 0.607810448023944
Energy: 0.6045953130084648
Energy: 0.5847925114535129
Energy: 0.6048015874864207
Energy: 0.5856564509747464
Energy: 0.6116748219369454
Energy: 0.620968840407647
Energy: 0.6029590029328697
Energy: 0.6120907529407962
Energy: 0.5853584410531316
Energy: 0.6012941754308975
Energy: 0.6021025895797358
Energy: 0.6222372364926385
Energy: 0.6004657183095329
Energy: 0.6029289855788742
Energy: 0.5968600429036962
Energy: 0.6010808544667856
Energy: 0.6038301695293544
Energy: 0.6054680883280056
Energy: 0.612160386922164
Energy: 0.6005696047405841
Energy: 0.6033746241925225
Energy: 0.6061011816261309

minimum gb energy = 0.5809162774244515 eV
minimum distance =  2.66462799709746 Angstroms
sigma value = 27


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

Energy: 0.605180018819035
Energy: 0.5502326926279408
Energy: 0.5536529191417349
Energy: 0.5666344977664465
Energy: 0.8994964098638153
Energy: 0.5484100266985922
Energy: 0.5469723525984811
Energy: 0.5522779797173551
Energy: 0.5522850195175066
Energy: 0.5620951119831643
Energy: 0.5520217145153162
Energy: 0.5607784978862204
Energy: 0.5809168066221914
Energy: 0.5597986989448103
Energy: 0.5591327366234986
Energy: 0.5824660049805133
Energy: 0.5984868866263736
Energy: 0.559367706162553
Energy: 0.5536362958395402
Energy: 0.5613863176339919
Energy: 0.5529546604146027
Energy: 0.5542185351194049
Energy: 0.5611743648046936
Energy: 0.5524309098888999
Energy: 0.602361282920665
Energy: 0.5541599235994834
Energy: 0.5559704154037626
Energy: 0.6031237806806626
Energy: 0.5573352816967139
Energy: 0.5502140852352019
Energy: 0.579212924348314
Energy: 0.5612865964909496
Energy: 0.5601761841698988
Energy: 0.5793786419835161
Energy: 0.5618154232001308
Energy: 0.5598862670675915
Energy: 0.5548201250375863
Energy: 0.5462930556278368
Energy: 0.5455284690802451
Energy: 0.5539965547595492
Energy: 0.5461879140091621
Energy: 0.5461472715836022
Energy: 0.5564253952240549
Energy: 0.5454486445500789
Energy: 0.5533897059505847
Energy: 0.5559503663944111
Energy: 0.5473840569274151
Energy: 0.552493864933128
Energy: 0.6099433659327749
Energy: 0.5664248930277769
Energy: 0.5604888221857749
Energy: 0.5808102720405166
Energy: 0.5574591745337109
Energy: 0.559466101895925
Energy: 0.6001537590524513
Energy: 0.5551679692879541
Energy: 0.5572085630011872
Energy: 0.587510389094421
Energy: 0.5533671081085794
Energy: 0.56900495214826
Energy: 0.5574927080065576
Energy: 0.5922703558664847
Energy: 0.5525817580859103
Energy: 0.5574071768251675
Energy: 0.6037592865906054
Energy: 0.5519043247149027
Energy: 0.5553224764149227
Energy: 0.5610023958884217
Energy: 0.5602542621251737
Energy: 0.553209102727851
Energy: 0.5621293693148751
Energy: 0.5603987766710083
Energy: 0.6019944670130396
Energy: 0.5560073905644145
Energy: 0.5506755713525461
Energy: 0.6020335548504347
Energy: 0.5533824441741193
Energy: 0.5460467676906076
Energy: 0.6029291212587996
Energy: 0.5545828648458077
Energy: 0.5516342715922953
Energy: 0.6041425717939991
Energy: 0.557721699942416
Energy: 0.5474893373209645
Energy: 0.5589889234787475
Energy: 0.5519447876370445
Energy: 0.552390162223113
Energy: 0.5589657042171458
Energy: 0.5866890479841096
Energy: 0.5518079986476989
Energy: 0.5882459562558061
Energy: 0.5597248435741444
Energy: 0.5593783765360211
Energy: 0.5897806547168892
Energy: 0.5664578974078823
Energy: 0.5600850919456027
Energy: 0.6024382834283292
Energy: 0.5524510043421289
Energy: 0.5522045611125506
Energy: 0.6031903143062568
Energy: 0.5533793682133795
Energy: 0.5528626186952473
Energy: 0.5764009380674491
Energy: 0.5544278389091096
Energy: 0.5520783309821453
Energy: 0.5617530215242279
Energy: 0.5566142318890922
Energy: 0.5523936607043052
Energy: 0.5509442351166074
Energy: 0.5474907291440406
Energy: 0.5468372817434409
Energy: 0.5522188152668533
Energy: 0.6027334228186926
Energy: 0.546692566819624
Energy: 0.5567917219372536
Energy: 0.547370480933631
Energy: 0.5468899964470809
Energy: 0.5576465858625629
Energy: 0.6029071073454216
Energy: 0.546805915694987
Energy: 0.5586316749975777
Energy: 0.5526867756355066
Energy: 0.5522774351217244
Energy: 0.5697017275350302
Energy: 0.5571418210910425
Energy: 0.5528147791186719
Energy: 0.5786308278509056
Energy: 0.5620210950784328
Energy: 0.5600064966992251
Energy: 0.5601396458727584
Energy: 0.5634134030657725
Energy: 0.5593566015856805
Energy: 0.5556096001312428
Energy: 0.5615759549614254
Energy: 0.560469363548244
Energy: 0.5526369527191402
Energy: 0.561737573584812
Energy: 0.5611122863740992
Energy: 0.5570551322426291
Energy: 0.5501026845006584
Energy: 0.5497976188642204
Energy: 0.5571131091519188
Energy: 0.5925917856832253
Energy: 0.5517207228395049
Energy: 0.6030197494800326
Energy: 0.5538892789541113
Energy: 0.5517374128375384
Energy: 0.6041906345701542
Energy: 0.5539642138314048
Energy: 0.5473592579972401

minimum gb energy = 0.5454486445500789 eV
minimum distance =  2.7067198908522 Angstroms
sigma value = 19


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

Energy: 0.6301531955652374
Energy: 0.5685561390367778
Energy: 0.5818477725003266
Energy: 0.5925819519124935
Energy: 0.5879270906133974
Energy: 0.5827960553484044
Energy: 0.593315947612337
Energy: 0.5827711702778697
Energy: 0.5821536307753212
Energy: 0.6071417377597792
Energy: 0.5925694671416704
Energy: 0.5821856046382123
Energy: 0.5948596286294285
Energy: 0.5851522784554145
Energy: 0.5858446742760252
Energy: 0.5939788778129907
Energy: 0.5855388348791137
Energy: 0.5813815315378164
Energy: 0.5917518130364566
Energy: 0.6183731787886615
Energy: 0.5867929917840851
Energy: 0.5835551672670353
Energy: 0.5818548619626548
Energy: 0.5852300101392882
Energy: 0.6258993979128584
Energy: 0.5948757668620208
Energy: 0.5890416091126184
Energy: 0.5912504261174407
Energy: 0.5944752382254894
Energy: 0.5853973925719197
Energy: 0.5919274639353849
Energy: 0.583157346474448
Energy: 0.6126696707432531
Energy: 0.5821018502478328
Energy: 0.5833086661083798
Energy: 0.6038994559752832
Energy: 0.6024794325743884
Energy: 0.5853000343240742
Energy: 0.590815573899603
Energy: 0.5967302742225926
Energy: 0.5872886050544743
Energy: 0.5884931385840769
Energy: 0.5926158830956589
Energy: 0.588133715606473
Energy: 0.5827625959433865
Energy: 0.5928230517295061
Energy: 0.6015003475932357
Energy: 0.5828069187245788
Energy: 0.6133899983042034
Energy: 0.5870742280254297
Energy: 0.5879654827331549
Energy: 0.6092575802437562
Energy: 0.5860908762269482
Energy: 0.5872463661898764
Energy: 0.6166061593482016
Energy: 0.5903304644318765
Energy: 0.5917315307975227
Energy: 0.5968507910569665
Energy: 0.589888025400876
Energy: 0.5886437459989383
Energy: 0.594771520318739
Energy: 0.5773608090221896
Energy: 0.5682740753441886
Energy: 0.5941994124939718
Energy: 0.577630230277167
Energy: 0.5700140536258141
Energy: 0.5907671794380113
Energy: 0.5867995507450318
Energy: 0.5682787315952625
Energy: 0.576688438327176
Energy: 0.588921397531779
Energy: 0.5687971788972442
Energy: 0.6243802919702667
Energy: 0.5934550145867814
Energy: 0.5897436662247679
Energy: 0.6064453322472675
Energy: 0.5928007089692946
Energy: 0.5872545999331353
Energy: 0.6167362834092635
Energy: 0.5890051828035034
Energy: 0.5893908383738444
Energy: 0.5879435665045626
Energy: 0.5952103128432693
Energy: 0.603234138732423
Energy: 0.5907714523131684
Energy: 0.5684340420357965
Energy: 0.5685964605433057
Energy: 0.5908163504468619
Energy: 0.5978639138195359
Energy: 0.570609243812118
Energy: 0.5909185080024443
Energy: 0.5911821074542742
Energy: 0.5722338107643525
Energy: 0.5804646032794376
Energy: 0.5681877359758254
Energy: 0.5754126404141282
Energy: 0.6101569633991841
Energy: 0.5894201229233104
Energy: 0.5947379956746929
Energy: 0.5936674595689302
Energy: 0.5896894231611799
Energy: 0.5909588191230556
Energy: 0.6032321141147107
Energy: 0.5757505005083999
Energy: 0.5758241959558916
Energy: 0.5889473202468565
Energy: 0.5799842706659357
Energy: 0.5685643889540508
Energy: 0.6070260118808898
Energy: 0.5861140079762961
Energy: 0.5839378057166651
Energy: 0.6069670892072927
Energy: 0.6045644269585191
Energy: 0.5760169188033848
Energy: 0.5868464447087136
Energy: 0.58602054897057
Energy: 0.5836755971952008
Energy: 0.5843462400399371
Energy: 0.6051859289027005
Energy: 0.5760874188458244
Energy: 0.5963410121063389
Energy: 0.5760210700563163
Energy: 0.5758405082250191
Energy: 0.5935419952864402
Energy: 0.576990652881612
Energy: 0.5710627030354586
Energy: 0.5954045880528593
Energy: 0.5703182990986743
Energy: 0.5669037763510494
Energy: 0.5960317312389963
Energy: 0.5739183464205225
Energy: 0.5682964961262184
Energy: 0.6020643553118673
Energy: 0.5929714134984885
Energy: 0.5902686055506291
Energy: 0.6002825219981616
Energy: 0.6048613616382822
Energy: 0.5867781205394664
Energy: 0.595593421118445
Energy: 0.5577628752617078
Energy: 0.5843722208396311
Energy: 0.5904970309497399
Energy: 0.5844940435212724
Energy: 0.5823400332980772
Energy: 0.6124414407294156
Energy: 0.5696644088185641
Energy: 0.5679089309414753
Energy: 0.5999369668588141
Energy: 0.5766844429771647
Energy: 0.5631652858137628
Energy: 0.619261307190972
Energy: 0.582992079963555
Energy: 0.5806749426133476
Energy: 0.6105341012639829
Energy: 0.5821069104793531
Energy: 0.5808573858947076
Energy: 0.5950912819429207
Energy: 0.5866908642373826
Energy: 0.5894728942383588
Energy: 0.5890707030148474
Energy: 0.5857439343061025
Energy: 0.5909608237602507
Energy: 0.5945731802176337
Energy: 0.608266535797029
Energy: 0.5881763903449814
Energy: 0.5862171250499005
Energy: 0.607806734117131
Energy: 0.5871226256536071
Energy: 0.6219748192752497
Energy: 0.6233358685906926
Energy: 0.6220116090419746
Energy: 0.6041905279742822
Energy: 0.6213688315148801
Energy: 0.5891138817437345

minimum gb energy = 0.5577628752617078 eV
minimum distance =  2.66981723873002 Angstroms
sigma value = 101


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

Energy: 0.9167146727530997
Energy: 0.58124385192595
Energy: 0.5802822874063179
Energy: 0.5700641541568341
Energy: 0.571652884703843
Energy: 0.5699255991502459
Energy: 0.5806541717902706
Energy: 0.5703461800173579
Energy: 0.5775561494024255
Energy: 0.5876093189735967
Energy: 0.5812303967132768
Energy: 0.5782463359853993
Energy: 0.5907706463049947
Energy: 0.5776985285457242
Energy: 0.5758188509735195
Energy: 0.5854320924245335
Energy: 0.5772940380569224
Energy: 0.5748887844172444
Energy: 0.5824106663625914
Energy: 0.5864641603369243
Energy: 0.579608923446457
Energy: 0.5828450809435819
Energy: 0.5821050280839767
Energy: 0.5788566530780428
Energy: 0.5944355357279211
Energy: 0.5820802951251893
Energy: 0.571166051926718
Energy: 0.5851174193662219
Energy: 0.5833946876225745
Energy: 0.5810005488996103
Energy: 0.5976071826883437
Energy: 0.5782380541054707
Energy: 0.5810276455053821
Energy: 0.5983604777168191
Energy: 0.5771850936024286
Energy: 0.5813660879897482
Energy: 0.6002524977595012
Energy: 0.5749832871044332
Energy: 0.573577946864393
Energy: 0.5896034409033145
Energy: 0.5744301314834122
Energy: 0.5725661339581906
Energy: 0.5951458597049405
Energy: 0.5826608022324063
Energy: 0.5828478405928645
Energy: 0.5932157986563587
Energy: 0.583011726448728
Energy: 0.5824298311165547
Energy: 0.5799826332605088
Energy: 0.5694185333254513
Energy: 0.5747673233575632
Energy: 0.5755571170349465
Energy: 0.5693241900358258
Energy: 0.5739734481702443
Energy: 0.5829407475460624
Energy: 0.5851350028800626
Energy: 0.5757231827311783
Energy: 0.5770333183989369
Energy: 0.5730408091675586
Energy: 0.5742557184887657
Energy: 0.5830788668820347
Energy: 0.5705397317537211
Energy: 0.554080316686813
Energy: 0.5822799935646328
Energy: 0.5663330458838168
Energy: 0.5673653688539663
Energy: 0.5904232938317987
Energy: 0.5764821440391876
Energy: 0.5741609148184023
Energy: 0.5755782479065555
Energy: 0.5773374134530672
Energy: 0.580302871105579
Energy: 0.590608694675588
Energy: 0.5692747262263824
Energy: 0.5691350652115572
Energy: 0.5754418813135853
Energy: 0.5690066614468153
Energy: 0.5746426815092235
Energy: 0.5904039847346403
Energy: 0.5707826872370654
Energy: 0.5775013699654017
Energy: 0.5754998411710931
Energy: 0.5702298640213755
Energy: 0.5775062523145185
Energy: 0.5883566998680181
Energy: 0.5750012349450231
Energy: 0.5749001654318626
Energy: 0.5841329439097408
Energy: 0.5751909744820477
Energy: 0.5751369757723869
Energy: 0.5880942317807031
Energy: 0.5787618927283503
Energy: 0.5778335287997803
Energy: 0.5688760273507288
Energy: 0.5784689650614496
Energy: 0.5777035031163231
Energy: 0.5814316976977373
Energy: 0.604741978481179
Energy: 0.5801583029279713
Energy: 0.5622858700058617
Energy: 0.6024724510433571
Energy: 0.5686221751450102
Energy: 0.6256764197305866
Energy: 0.5787741141678004
Energy: 0.5691618006559389
Energy: 0.586592970111073
Energy: 0.5812680584805557
Energy: 0.5786825789409885
Energy: 0.5881012110597904
Energy: 0.5774160557466275
Energy: 0.5768440592974777
Energy: 0.5816131180226103
Energy: 0.5785413917881397
Energy: 0.5753389271388607
Energy: 0.5806874033762096
Energy: 0.578167746173517
Energy: 0.5773762941612787
Energy: 0.5810006318530181
Energy: 0.5787413879555315
Energy: 0.5761502140529291
Energy: 0.5945497288280487
Energy: 0.5786116936964071
Energy: 0.5696287316954599
Energy: 0.5852011131071685
Energy: 0.5800954248352497
Energy: 0.5794311232788311
Energy: 0.5923830808209808
Energy: 0.5694203853162203
Energy: 0.5768515291897166
Energy: 0.5878173741244257
Energy: 0.5685948785962452
Energy: 0.577545208683127
Energy: 0.5958002558118448
Energy: 0.5745527007977104
Energy: 0.5756770976079225
Energy: 0.5851793609345984
Energy: 0.5754781610406432
Energy: 0.5745291427173502
Energy: 0.593394976052167
Energy: 0.5760235569919788
Energy: 0.5769524545716265
Energy: 0.593042401692923
Energy: 0.5701090989851401
Energy: 0.5811002303535873
Energy: 0.5818223026368737
Energy: 0.569127091275697
Energy: 0.5760787621107766
Energy: 0.5774061939178249
Energy: 0.5687927983751837
Energy: 0.5774692797936597
Energy: 0.5801753200572722
Energy: 0.5796547234585894
Energy: 0.5790440889366967
Energy: 0.5765465163945537
Energy: 0.5703854485869642
Energy: 0.5787251568167596
Energy: 0.5716195655028018
Energy: 0.5673000161879423
Energy: 0.5701409126613134
Energy: 0.5761139378258991
Energy: 0.5667272965978151
Energy: 0.5686773022678114
Energy: 0.5887491163222085
Energy: 0.5677852527340629
Energy: 0.5716191636218851
Energy: 0.5884000476500749
Energy: 0.5662150408644289
Energy: 0.5764137694461595
Energy: 0.5902655820621111
Energy: 0.5708422387490457
Energy: 0.5712982717365246
Energy: 0.5759234922888726
Energy: 0.570733389285161
Energy: 0.5780524139450772
Energy: 0.5905013639975156
Energy: 0.567371585898696
Energy: 0.5685222696892568
Energy: 0.5760750508579422
Energy: 0.5753644031280039
Energy: 0.5789624666352875
Energy: 0.589610959179884
Energy: 0.5757900203466672
Energy: 0.5764139369335021
Energy: 0.5707315501719811
Energy: 0.5753970095809319
Energy: 0.5771668718730149
Energy: 0.5884507103451854
Energy: 0.5784515611147054
Energy: 0.5795701000942481
Energy: 0.569437457019311
Energy: 0.5777236886889262
Energy: 0.5758221771640101
Energy: 0.5828586158542843
Energy: 0.576330599151923
Energy: 0.567368248794556
Energy: 0.5621452282230034
Energy: 0.5755202852698827
Energy: 0.5841156751439848

minimum gb energy = 0.554080316686813 eV
minimum distance =  2.65671861513106 Angstroms
sigma value = 33


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

Energy: 0.013052897666749413
Energy: 0.01455072117436086
Energy: 0.013650174264843669
Energy: 0.01449871271121186
Energy: 0.5796257889553162
Energy: 0.013428216978118877
Energy: 0.01371146980040044
Energy: 0.07640007457560333
Energy: 0.07501370567433892
Energy: 0.07594030107372837
Energy: 0.07605739326730179
Energy: 0.0747324986062808
Energy: 0.7557220148409761
Energy: 0.5783265008038051
Energy: 0.5771146011192771
Energy: 0.5812457589201927
Energy: 0.5802806218910517
Energy: 0.5775113151336597
Energy: 0.013711469800052264
Energy: 0.07640007457560333
Energy: 0.07501370567433892
Energy: 0.07594030107372837
Energy: 0.07605739326695361
Energy: 0.0747324986062808

minimum gb energy = 0.013052897666749413 eV
minimum distance =  2.8502551163255 Angstroms
sigma value = 1