Model name: model_name=MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642807338423
mass=26.981538
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=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.338630237806639e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.010353198357897253
Energy: 0.26760321823881345
Energy: 0.010925622752306404
Energy: 0.012019449242582999
Energy: 0.26793068247644836
Energy: 0.010818125469313995
Energy: 0.26760321824248773
Energy: 0.04968392206848076
Energy: 0.0497617489096795
Energy: 0.04982678457446513
Energy: 0.0496489084047936
Energy: 0.04974139181030984
Energy: 0.010925622752556924
Energy: 0.0497617489096795
Energy: 0.051555267193112035
Energy: 0.011183270370822715
Energy: 0.04978952550190984
Energy: 0.05103004635268194
Energy: 0.012019449242582999
Energy: 0.04982678457424244
Energy: 0.011183270370572193
Energy: 0.01055715076085437
Energy: 0.04989316373928483
Energy: 0.011973272992588272
Energy: 0.26793068046162943
Energy: 0.04964890840457092
Energy: 0.04978952550190984
Energy: 0.04989316373928483
Energy: 0.049674186650233064
Energy: 0.04986939138923639
Energy: 0.010818125469063473
Energy: 0.04974139181030984
Energy: 0.05103004635268194
Energy: 0.011973272992588272
Energy: 0.04986939138898588
Energy: 0.010830778279778144

minimum gb energy = 0.010353198357897253 eV
minimum distance =  2.85320460189643 Angstroms
sigma value = 1


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

Energy: 0.7454640685814319
Energy: 0.5911870792205668
Energy: 0.5546317793575052
Energy: 0.5639789801066566
Energy: 0.5837396488586125
Energy: 0.5550184898931093
Energy: 0.7189656655857226
Energy: 0.5310200594970309
Energy: 0.530964296349721
Energy: 0.5531878750847006
Energy: 0.5311897192552372
Energy: 0.5306907359886216
Energy: 0.7646839346604188
Energy: 0.5308862431741218
Energy: 0.5310794922466848
Energy: 0.5428761795644624
Energy: 0.530881083419325
Energy: 0.5307807570886196
Energy: 0.7662910546734284
Energy: 0.5309141304891044
Energy: 0.5399042872165292
Energy: 0.5427914057418017
Energy: 0.5310999306587978
Energy: 0.5375936631462057
Energy: 0.7201821074217412
Energy: 0.5351377601687539
Energy: 0.5452075872748713
Energy: 0.5592331866067409
Energy: 0.5324684793925408
Energy: 0.5552530355199701
Energy: 0.7117075369777707
Energy: 0.553698450059396
Energy: 0.557439539675151
Energy: 0.5645595274560232
Energy: 0.5516484684667587
Energy: 0.5585779151573269
Energy: 0.7139051225156985
Energy: 0.558296512140192
Energy: 0.5564465306953091
Energy: 0.5621160256579193
Energy: 0.5709035377388073
Energy: 0.5599176819007714
Energy: 0.6834978464725795
Energy: 0.5607963877200266
Energy: 0.5555685364452077
Energy: 0.5571962224047914
Energy: 0.5451153353359088
Energy: 0.5567683031884221
Energy: 0.6154607646976545
Energy: 0.5592227147901165
Energy: 0.5582760516789651
Energy: 0.5531037447909625
Energy: 0.5640557212476598
Energy: 0.5563467325672501
Energy: 0.615791160197067
Energy: 0.5538204653825353
Energy: 0.5413345403886691
Energy: 0.5333031433226608
Energy: 0.5535465904401373
Energy: 0.5307505130936887
Energy: 0.5889613284651031
Energy: 0.547646981195361
Energy: 0.5476727514194393
Energy: 0.6318027214906308
Energy: 0.54342703094972
Energy: 0.530927486744821
Energy: 0.5327928733134026
Energy: 0.5427629810714947
Energy: 0.5306215285201069
Energy: 0.5327274887843505
Energy: 0.5160555736321619
Energy: 0.5308452141230409
Energy: 0.5309400896790862
Energy: 0.5338110204415619
Energy: 0.5309159628704611
Energy: 0.5310855421976699
Energy: 0.534499588303371
Energy: 0.5310156095992713
Energy: 0.5595596418272477
Energy: 0.5453285948585821
Energy: 0.541306263440954
Energy: 0.5309126038965427
Energy: 0.5380080016801967
Energy: 0.53145204272076
Energy: 0.560562594138931
Energy: 0.5335323073791906
Energy: 0.5310107862108961
Energy: 0.5331473766741569
Energy: 0.5606715724435777
Energy: 0.5310990460351706
Energy: 0.5613900324468085
Energy: 0.5440552309187464
Energy: 0.5444593173981602
Energy: 0.5482021218110803
Energy: 0.5509044944870524
Energy: 0.5443148610127555
Energy: 0.6695714882774717
Energy: 0.5527658940351932
Energy: 0.5558473283679256
Energy: 0.544311295736814
Energy: 0.5541129096440517
Energy: 0.5447793179840186
Energy: 0.6661393627574954
Energy: 0.5620944138566403
Energy: 0.5585436084940681
Energy: 0.5428171366334664
Energy: 0.5582475407497979
Energy: 0.5600505164652423
Energy: 0.6585660670592005
Energy: 0.5569540493010382
Energy: 0.5592263477902182
Energy: 0.553879503427878
Energy: 0.5496782674422719
Energy: 0.5586162365486337
Energy: 0.678878633226327
Energy: 0.5418572932002744
Energy: 0.5599035246538656
Energy: 0.5548552158690137
Energy: 0.5445841941292681
Energy: 0.5579791794135773
Energy: 0.7336288388692613
Energy: 0.5437255695556881
Energy: 0.5477992686875383
Energy: 0.5475796110234868
Energy: 0.5425953884211977
Energy: 0.5390035924501851
Energy: 0.7339921426864237
Energy: 0.5462234310797383
Energy: 0.5443580458051529
Energy: 0.5627791008622871
Energy: 0.5461036713692843
Energy: 0.5443206865854586
Energy: 0.7457301471764348
Energy: 0.5311474978038402
Energy: 0.5308389242382421
Energy: 0.5476939911909199
Energy: 0.5312043410523266
Energy: 0.5308596533308759

minimum gb energy = 0.5160555736321619 eV
minimum distance =  2.64024678068895 Angstroms
sigma value = 33


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

Energy: 0.9598078322680602
Energy: 0.5345609942417572
Energy: 0.5490937792593196
Energy: 0.5472187571880186
Energy: 0.5690974954562096
Energy: 0.5475214324370712
Energy: 0.6592090838757362
Energy: 0.5323656175925078
Energy: 0.5309639025031965
Energy: 0.5475729309977792
Energy: 0.5342697589163113
Energy: 0.5311540230961806
Energy: 0.6571316978667717
Energy: 0.5307005676046207
Energy: 0.5308382979584646
Energy: 0.5445765614065909
Energy: 0.5308513791074841
Energy: 0.5310774410068103
Energy: 0.7029637829740795
Energy: 0.5344639664689477
Energy: 0.5313981544692136
Energy: 0.5438391048211437
Energy: 0.5339554826750755
Energy: 0.5425465690306006
Energy: 0.658328031251052
Energy: 0.5337218076249721
Energy: 0.5321160898223692
Energy: 0.5496688683471308
Energy: 0.5334796532015746
Energy: 0.5312892480636324
Energy: 0.7040955990202942
Energy: 0.5324351062673548
Energy: 0.5476021331222868
Energy: 0.5449391631196879
Energy: 0.5325925664242367
Energy: 0.5474233910975008
Energy: 0.7041995852056345
Energy: 0.548327352962637
Energy: 0.5471387744342334
Energy: 0.5476200791185352
Energy: 0.5475583190049464
Energy: 0.5477530707788375
Energy: 0.6716500922969258
Energy: 0.5487899451446472
Energy: 0.5473546535007033
Energy: 0.5568803139684997
Energy: 0.5374100462729732
Energy: 0.5467753783952997
Energy: 0.5899500845077604
Energy: 0.5425588992634054
Energy: 0.5462412316919044
Energy: 0.5401953757099867
Energy: 0.5424700071183715
Energy: 0.5470264383676652
Energy: 0.5907565010024834
Energy: 0.5478409062125045
Energy: 0.532243388846676
Energy: 0.532597650345784
Energy: 0.5504258205248245
Energy: 0.5317562955140184
Energy: 0.5689189104149054
Energy: 0.529714039406477
Energy: 0.5295419283851543
Energy: 0.5692122006739594
Energy: 0.5298065079180406
Energy: 0.5295307853617459
Energy: 0.5329496907298524
Energy: 0.529994803169339
Energy: 0.5313840259524903
Energy: 0.532947411124939
Energy: 0.5415125172245008
Energy: 0.5310234210263797
Energy: 0.5329142945965027
Energy: 0.5386364207247127
Energy: 0.5310676663053687
Energy: 0.5329966977476028
Energy: 0.537608443708526
Energy: 0.5309316093184353
Energy: 0.5689174055892818
Energy: 0.5417079127578832
Energy: 0.5431505391097026
Energy: 0.5687779180393278
Energy: 0.5444566173354336
Energy: 0.5472466169051934
Energy: 0.5907555032524003
Energy: 0.5437843378909456
Energy: 0.5315163663832724
Energy: 0.5329734217879311
Energy: 0.5481431367340114
Energy: 0.5320593856839352
Energy: 0.5896609340785763
Energy: 0.54722375324298
Energy: 0.5458697347027894
Energy: 0.5331205416248542
Energy: 0.5448541510380349
Energy: 0.5475422804334522
Energy: 0.658459441326744
Energy: 0.5454069409228955
Energy: 0.5452227969248782
Energy: 0.5573505644741906
Energy: 0.5457625381752166
Energy: 0.5453516278548396
Energy: 0.6460370507945608
Energy: 0.5490196181371155
Energy: 0.5452205106779436
Energy: 0.5377795273825341
Energy: 0.5553161484584714
Energy: 0.5464499569463855
Energy: 0.6457340720553316
Energy: 0.5458531077382986
Energy: 0.5474521235287915
Energy: 0.5421706561381736
Energy: 0.5400220701015065
Energy: 0.5464906456605233
Energy: 0.6594920514869956
Energy: 0.5324130279421041
Energy: 0.5447813169767731
Energy: 0.5483515824584606
Energy: 0.53285907184198
Energy: 0.5449856867395021
Energy: 0.7646616580829725
Energy: 0.5341173369228492
Energy: 0.5297612334002353
Energy: 0.5301331955003683
Energy: 0.5342779615524229
Energy: 0.5300126791463773
Energy: 0.717887875480136
Energy: 0.5308911544115623
Energy: 0.5308462816820925
Energy: 0.5507459413678505
Energy: 0.5309344998412748
Energy: 0.5311154603003502
Energy: 0.6603305571299436
Energy: 0.5312215162063769
Energy: 0.5307635954071694
Energy: 0.5434492270567669
Energy: 0.5349209185711772
Energy: 0.5309614704925412
Energy: 0.702289088124831
Energy: 0.5702654988179949
Energy: 0.5345795706706419
Energy: 0.5422524936367992
Energy: 0.570085556913495
Energy: 0.548143518378134
Energy: 0.660253783057605
Energy: 0.5323262703294436
Energy: 0.5324758636827942
Energy: 0.547608950766395
Energy: 0.5332200614159781
Energy: 0.5311670773331777
Energy: 0.7049882552146993
Energy: 0.5450009624769174
Energy: 0.545891895888383
Energy: 0.5450454838769946
Energy: 0.5452028992216869
Energy: 0.5464837218464158
Energy: 0.7042416558349824
Energy: 0.54598181743887
Energy: 0.5453642106154755
Energy: 0.5452597854477534
Energy: 0.5513641070765961
Energy: 0.5451111226781195
Energy: 0.6587003253557975
Energy: 0.5485389409269306
Energy: 0.5465767035272362
Energy: 0.5563895718103582
Energy: 0.5423578915362041
Energy: 0.5467294229373023
Energy: 0.5896366057826257
Energy: 0.5485363722120247
Energy: 0.5465438492804313
Energy: 0.5440928721216606
Energy: 0.5462388227779947
Energy: 0.5467797998915759
Energy: 0.589061829693576
Energy: 0.5433805717371148
Energy: 0.5451149277228761
Energy: 0.5440417694451273
Energy: 0.5510257994365519
Energy: 0.5444544627360852
Energy: 0.5918910518373326
Energy: 0.5296306874772905
Energy: 0.5296118916261273
Energy: 0.5315795252196515
Energy: 0.5302565259607465
Energy: 0.5312128434608308
Energy: 0.5365991582505988
Energy: 0.529782927100954
Energy: 0.5295332923488986
Energy: 0.5358042939703888
Energy: 0.5402558575875128
Energy: 0.5309101478235347
Energy: 0.5329202900554106
Energy: 0.5433070819567135
Energy: 0.5312001842621646
Energy: 0.5335353380280529
Energy: 0.5433338689761199
Energy: 0.530874730198285
Energy: 0.5341678855284117
Energy: 0.5418659784091389
Energy: 0.5420221694281876
Energy: 0.5341939371074927
Energy: 0.5421332984463875
Energy: 0.5433087726120934
Energy: 0.593474013846175
Energy: 0.5383097442524477
Energy: 0.5315685655723169
Energy: 0.5328323038421756
Energy: 0.5371794789583669
Energy: 0.5310529165584802
Energy: 0.5875630241464762
Energy: 0.5462971679289307
Energy: 0.5463511569719575
Energy: 0.5450400387928025
Energy: 0.5446636638396766
Energy: 0.5464186715161178
Energy: 0.5906905297798115
Energy: 0.5451124459588337
Energy: 0.545146967685476
Energy: 0.5316496623774745
Energy: 0.5449348265861402
Energy: 0.5436735779411882
Energy: 0.6456315643146847
Energy: 0.5464413434813958
Energy: 0.5478037320120098
Energy: 0.5429073417290495
Energy: 0.5465288957946388
Energy: 0.5466607458309239
Energy: 0.6456064102562692
Energy: 0.5438649663530367
Energy: 0.5451560934486527
Energy: 0.5370762411254553
Energy: 0.5451762229119462
Energy: 0.5465300309637893
Energy: 0.6586567185410304
Energy: 0.54251543603629
Energy: 0.5434924277341476
Energy: 0.5453577963710652
Energy: 0.5420796336452696
Energy: 0.5449896553168391
Energy: 0.7614846566020597
Energy: 0.5311472837593403
Energy: 0.5311516178366797
Energy: 0.5303575958714144
Energy: 0.5311713055724194
Energy: 0.5296100580080456

minimum gb energy = 0.5295307853617459 eV
minimum distance =  2.65836276249522 Angstroms
sigma value = 51


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

Energy: 0.8948475457053772
Energy: 0.5928596402218163
Energy: 0.5990404521249916
Energy: 0.7080210243525725
Energy: 0.5792680552116034
Energy: 0.575987435881311
Energy: 0.64257685837163
Energy: 0.5490393322374849
Energy: 0.5493426904940487
Energy: 0.5185839899332336
Energy: 0.5492978255706419
Energy: 0.5489851796684614
Energy: 0.6743248119221441
Energy: 0.548806838334953
Energy: 0.5487897607767841
Energy: 0.5453560174798677
Energy: 0.5493089719236072
Energy: 0.549167417986689
Energy: 0.7168963916313591
Energy: 0.5512001164955366
Energy: 0.5336069835321592
Energy: 0.5362933218030743
Energy: 0.6024574323468208
Energy: 0.5383136704454391
Energy: 0.642682360487332
Energy: 0.5494098410883527
Energy: 0.5497258970594135
Energy: 0.5401694551470642
Energy: 0.5517701749853688
Energy: 0.5611555534768558
Energy: 0.6460309109758845
Energy: 0.5463046858530614
Energy: 0.5510600761784517
Energy: 0.5409200170564342
Energy: 0.5457913255735912
Energy: 0.5536190974269395
Energy: 0.6502271859059928
Energy: 0.5554330135462318
Energy: 0.5540953365914228
Energy: 0.5402633962855555
Energy: 0.5527739960992959
Energy: 0.5619201258174357
Energy: 0.6219073617771089
Energy: 0.5236109296156294
Energy: 0.523910500112127
Energy: 0.5827040018656854
Energy: 0.5415862344275352
Energy: 0.5236686230749371
Energy: 0.5518233625307396
Energy: 0.5623703168290822
Energy: 0.5619522038186614
Energy: 0.5514976173303455
Energy: 0.5491903853401362
Energy: 0.5490521342864187
Energy: 0.5503725107391496
Energy: 0.5495789932791776
Energy: 0.5492930036100617
Energy: 0.5504270993687054
Energy: 0.5319676705308691
Energy: 0.5489981795247845
Energy: 0.55191596173527
Energy: 0.5513294648167449
Energy: 0.5504779636617616
Energy: 0.5516601947669179
Energy: 0.5326100819084942
Energy: 0.550895507566751
Energy: 0.589361861036076
Energy: 0.5499522745950446
Energy: 0.5493903761973308
Energy: 0.5495723320004344
Energy: 0.5527357427483804
Energy: 0.5492398066290631
Energy: 0.5815890368356108
Energy: 0.5487913499078301
Energy: 0.5751681830852128
Energy: 0.5658372635902723
Energy: 0.5662967854678588
Energy: 0.5544890896412127
Energy: 0.5806914729211009
Energy: 0.5369823973228377
Energy: 0.5369701101979518
Energy: 0.5501810966420606
Energy: 0.536959081988927
Energy: 0.5548781627374882
Energy: 0.6833791539686179
Energy: 0.5560015894542083
Energy: 0.5751070150884587
Energy: 0.5715909982836881
Energy: 0.5554215634483771
Energy: 0.5489489200195767
Energy: 0.679400481174725
Energy: 0.5448536582345254
Energy: 0.554428445396436
Energy: 0.547138740245192
Energy: 0.553689771475719
Energy: 0.5472663315931277
Energy: 0.6786754704280681
Energy: 0.5537531456973542
Energy: 0.5536408741482893
Energy: 0.5650390204340758
Energy: 0.567294475199539
Energy: 0.5538703769085362
Energy: 0.7524864952075451
Energy: 0.5490722997032502
Energy: 0.5397884776499212
Energy: 0.5684048371462844
Energy: 0.5492787023417893
Energy: 0.539184182544473

minimum gb energy = 0.5185839899332336 eV
minimum distance =  2.64495121125462 Angstroms
sigma value = 19


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

Energy: 0.7494311484345187
Energy: 0.5116711412113172
Energy: 0.521953521902131
Energy: 0.6201853622342159
Energy: 0.5116385680817599
Energy: 0.6225729678135536
Energy: 0.6295575440704041
Energy: 0.5111150330041184
Energy: 0.5122793686462932
Energy: 0.5048223142376617
Energy: 0.5115039429194447
Energy: 0.5118246338680067
Energy: 0.5924761160046523
Energy: 0.5119829369664729
Energy: 0.5122895472839312
Energy: 0.5254947280192174
Energy: 0.5116849071108761
Energy: 0.5718354835189002
Energy: 0.6274362699211341
Energy: 0.5120377721890763
Energy: 0.512185703583706
Energy: 0.5239286473731614
Energy: 0.5532277727779027
Energy: 0.5126082973480095
Energy: 0.5525737272905503
Energy: 0.511412781855889
Energy: 0.5116112134504003
Energy: 0.5047273702091455
Energy: 0.5116675885068851
Energy: 0.5114368286218547
Energy: 0.5924263935693532
Energy: 0.5012061512728299
Energy: 0.5258026337927951
Energy: 0.5253485396663164
Energy: 0.5011088527040685
Energy: 0.5249937504237651
Energy: 0.5920716055952846
Energy: 0.5258644389229657
Energy: 0.5254565568507271
Energy: 0.5116834538783204
Energy: 0.5048550154734399
Energy: 0.5115868726546927
Energy: 0.5521819019483217
Energy: 0.4649009479713846
Energy: 0.5014033200612935
Energy: 0.5525043047568159
Energy: 0.46510089454717385
Energy: 0.5014626095523167
Energy: 0.5112515875111908
Energy: 0.5199650830991137
Energy: 0.5216837918738071
Energy: 0.5110280111942691
Energy: 0.501036070015155
Energy: 0.5198372445886272
Energy: 0.5127207097036148
Energy: 0.5263568287486705
Energy: 0.5115266042357732
Energy: 0.5116420369074611
Energy: 0.5042551204495386
Energy: 0.5114132284727045
Energy: 0.5112797408520345
Energy: 0.5669479916664626
Energy: 0.5676044965850832
Energy: 0.5107516269177255
Energy: 0.5681663965509188
Energy: 0.511319837584347
Energy: 0.6285038744846949
Energy: 0.5249148022996248
Energy: 0.5261934789702506
Energy: 0.5117682229902643
Energy: 0.5255921188809562
Energy: 0.5112617455765994
Energy: 0.5006802954095109
Energy: 0.5111705082206964
Energy: 0.526165088908676
Energy: 0.5023140318658058
Energy: 0.5120818588506181
Energy: 0.5251171748263689
Energy: 0.6292220928375301
Energy: 0.5255568644097582
Energy: 0.5264782594402823
Energy: 0.5119897320500116
Energy: 0.5701647182929278
Energy: 0.5255035271528539
Energy: 0.7422952590831086
Energy: 0.5122687417704199
Energy: 0.5119121828891209
Energy: 0.500863156898777
Energy: 0.511546916563542
Energy: 0.5213446754402382
Energy: 0.6804559336907973
Energy: 0.5113296484302611
Energy: 0.5016373926613003
Energy: 0.4847105895022791
Energy: 0.5108969574219189
Energy: 0.5017527201554755
Energy: 0.6285348035509097
Energy: 0.5111951257157925
Energy: 0.5118645419568607
Energy: 0.5050992153863431
Energy: 0.5119015137511151
Energy: 0.5115510227275419
Energy: 0.6304609094366194
Energy: 0.5116625116713766
Energy: 0.5120297025886841
Energy: 0.5073120902284006
Energy: 0.511121911419765
Energy: 0.5123028052698645
Energy: 0.6275814744800142
Energy: 0.5118769528469203
Energy: 0.5255210341496408
Energy: 0.5073297574834343
Energy: 0.5114368216014008
Energy: 0.5249570002637431
Energy: 0.6288096555393928
Energy: 0.5011103613636745
Energy: 0.5112255063986849
Energy: 0.5119237108394209
Energy: 0.5010010128759377
Energy: 0.5252333872647884
Energy: 0.6276285156953183
Energy: 0.5115232965838429
Energy: 0.5117182089900844
Energy: 0.5687761590154924
Energy: 0.5116406411380251
Energy: 0.5253765833381453
Energy: 0.6288127928064703
Energy: 0.5252203033942232
Energy: 0.5266879482577608
Energy: 0.5116955555786633
Energy: 0.5258443114355855
Energy: 0.5112767396620619
Energy: 0.5544262411264039
Energy: 0.501208146830448
Energy: 0.5007906810859992
Energy: 0.5545007479519422
Energy: 0.5015218926515131
Energy: 0.522643410366849
Energy: 0.5113670436266042
Energy: 0.5267913309633535
Energy: 0.5118277852786739
Energy: 0.5114003867138687
Energy: 0.5007443360570567
Energy: 0.5111130914561659
Energy: 0.511465161188275
Energy: 0.5250180390248914
Energy: 0.5256463267434365
Energy: 0.5115988153892924
Energy: 0.5257715006512499
Energy: 0.5115937375703978
Energy: 0.5533151510828904
Energy: 0.5246388828414186
Energy: 0.5248919670931128
Energy: 0.5538471396027329
Energy: 0.5691109043439627
Energy: 0.5121956251343476
Energy: 0.5918896181395708
Energy: 0.5261516987665176
Energy: 0.5708833080690484
Energy: 0.5115373020907144
Energy: 0.5044487109265585
Energy: 0.5115200734104933
Energy: 0.5007811002231018
Energy: 0.5092144298837519
Energy: 0.5256133142827725
Energy: 0.5008822571911165
Energy: 0.5254169984835129
Energy: 0.5250830485236543
Energy: 0.5516915262253304
Energy: 0.5112145241255694
Energy: 0.5262206814527353
Energy: 0.5120566065640668
Energy: 0.5116008830766725
Energy: 0.5253805347348363
Energy: 0.6822069511728235
Energy: 0.511374490958204
Energy: 0.5012559247690082
Energy: 0.4648669041893715
Energy: 0.552545477786269
Energy: 0.5011673245545547

minimum gb energy = 0.4648669041893715 eV
minimum distance =  2.70241562238077 Angstroms
sigma value = 27


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

Energy: 0.6404742980975558
Energy: 0.5292467969834509
Energy: 0.5930113081093592
Energy: 0.5776052258911215
Energy: 0.6834148369358102
Energy: 0.789148985674277
Energy: 0.6057691562959177
Energy: 0.5296021378053233
Energy: 0.529616181061798
Energy: 0.5366431008666043
Energy: 0.529476988933007
Energy: 0.5297607766364839
Energy: 0.5731293074158139
Energy: 0.5306567353865765
Energy: 0.5287696436922668
Energy: 0.5086612910413941
Energy: 0.5314060934791764
Energy: 0.5289952503611668
Energy: 0.5757582878392372
Energy: 0.5570543992566304
Energy: 0.5297112882958062
Energy: 0.5113851746446294
Energy: 0.6219322587160239
Energy: 0.507141728885571
Energy: 0.6070903166954207
Energy: 0.5564646210569918
Energy: 0.5070428874990347
Energy: 0.5557013976803188
Energy: 0.5532848133281576
Energy: 0.49086522134172905
Energy: 0.5303238070490746
Energy: 0.5573299696974029
Energy: 0.5561178633834085
Energy: 0.5303377600997827
Energy: 0.5523796019376803
Energy: 0.4793922367317336
Energy: 0.5303906172916386
Energy: 0.5134951739014562
Energy: 0.5116609173687188
Energy: 0.5310360259140267
Energy: 0.5241759910838106
Energy: 0.5289746923162227
Energy: 0.5290167301866441
Energy: 0.5056494471717624
Energy: 0.5049644341092843
Energy: 0.530741613256095
Energy: 0.5049312746813216
Energy: 0.5287255787831556
Energy: 0.5731483370311522
Energy: 0.570737100739477
Energy: 0.5185791987738501
Energy: 0.5296752514794895
Energy: 0.5057968026251827
Energy: 0.510825455150238
Energy: 0.504805087782455
Energy: 0.5120932179624778
Energy: 0.519438193587783
Energy: 0.5351643451066704
Energy: 0.5304189948327578
Energy: 0.49679665846537685
Energy: 0.5730784877503196
Energy: 0.5413290639258163
Energy: 0.5426547186961722
Energy: 0.5312140722922837
Energy: 0.5405677746659603
Energy: 0.5421936022726733
Energy: 0.5419382451498103
Energy: 0.530228441792484
Energy: 0.5300481286996358
Energy: 0.5231189054022174
Energy: 0.5299406287374896
Energy: 0.5308335526633514

minimum gb energy = 0.4793922367317336 eV
minimum distance =  2.62947701165548 Angstroms
sigma value = 9


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

Energy: 0.9551053644857501
Energy: 0.9560277522843115
Energy: 0.5303360533742196
Energy: 0.7633890097074864
Energy: 1.0050541796794115
Energy: 0.6781241007513483
Energy: 0.4972703810482599
Energy: 0.4891093070276571
Energy: 0.489579133498562
Energy: 0.5123139041150385
Energy: 0.4890960694673018
Energy: 0.4897510278143118
Energy: 0.49766822865995686
Energy: 0.47851440104952553
Energy: 0.4784738251438218
Energy: 0.46461778712012186
Energy: 0.48021618232987
Energy: 0.47849627844728104
Energy: 0.5004664374835418
Energy: 0.49112541760914163
Energy: 0.4927207061337578
Energy: 0.46466198210368226
Energy: 0.5327607486735356
Energy: 0.49545509592546616
Energy: 0.5522480961205191
Energy: 0.5522417935096302
Energy: 0.5449416397834884
Energy: 0.552132721356426
Energy: 0.5154663608868886
Energy: 0.5256329652063431
Energy: 0.507943636912743
Energy: 0.5775956716373294
Energy: 0.5224808295829331
Energy: 0.5079214713736198
Energy: 0.5810921580189207
Energy: 0.5125376217937689
Energy: 0.5157660344797708
Energy: 0.5054764134884845
Energy: 0.5174504649583999
Energy: 0.5165918499419919
Energy: 0.4921250858915225
Energy: 0.5165107440309068
Energy: 0.49935193936185757
Energy: 0.537157697141165
Energy: 0.5025873216203185
Energy: 0.4993164305176802
Energy: 0.5386417663719205
Energy: 0.4993432891884153
Energy: 0.528132537667935
Energy: 0.517530738640839
Energy: 0.5403404487652235
Energy: 0.5403434557420157
Energy: 0.5090530535384591
Energy: 0.4838834523128726
Energy: 0.4624560970920412
Energy: 0.5114902591593704
Energy: 0.5011523580372366
Energy: 0.43355847385431684
Energy: 0.5293239593930732
Energy: 0.47610761812781244
Energy: 0.467144675525955
Energy: 0.4988263576986765
Energy: 0.4987372238282776
Energy: 0.4274126700108543
Energy: 0.5011147277001404
Energy: 0.4986545054736435
Energy: 0.5504271656888913
Energy: 0.5082282878646389
Energy: 0.5081596062304128
Energy: 0.5092172277693836
Energy: 0.5091486557870618
Energy: 0.507998233810781
Energy: 0.8426126820834722
Energy: 0.4918144522960289
Energy: 0.6036775847382935
Energy: 0.6856975072824977
Energy: 0.49199436479754827
Energy: 0.6751962433333218
Energy: 0.5309826040343568
Energy: 0.5004228846996746
Energy: 0.5006595083800032
Energy: 0.5183204935943706
Energy: 0.5005306543792492
Energy: 0.5045151771757799
Energy: 0.48027365763613866
Energy: 0.5011151997647743
Energy: 0.49996919768618847
Energy: 0.48033453733254927
Energy: 0.5004833350620085
Energy: 0.5050780952026183
Energy: 0.480198392021463
Energy: 0.5101585137894976
Energy: 0.47883043782099066
Energy: 0.4793478605808083
Energy: 0.4943919641254724
Energy: 0.478599458370914
Energy: 0.48923961437021657
Energy: 0.567485631653636
Energy: 0.500991885898151
Energy: 0.4902201528511383
Energy: 0.4983337513953204
Energy: 0.48864808687690087
Energy: 0.5460863858151095
Energy: 0.5006239060575208
Energy: 0.5199595264547642
Energy: 0.5462069394661381
Energy: 0.500307083331614
Energy: 0.5197616892686627
Energy: 0.497495621725827
Energy: 0.4957612883606443
Energy: 0.45919144679094226
Energy: 0.48089305463613824
Energy: 0.4928964085286436
Energy: 0.47876312477569544
Energy: 0.5000586547895448
Energy: 0.479882088626349
Energy: 0.4791509543660281
Energy: 0.4793959330739536
Energy: 0.4798228975838606
Energy: 0.4788608265900984
Energy: 0.49748950880516757
Energy: 0.480699862903854
Energy: 0.47915854165538735
Energy: 0.48003591460364176
Energy: 0.48078533150645997
Energy: 0.48521947008327637
Energy: 0.49468432266278745
Energy: 0.48904081186543413
Energy: 0.5125809588995008
Energy: 0.5303522245681676
Energy: 0.5436038911648289
Energy: 0.5124919988276475
Energy: 0.5984458698662113
Energy: 0.4894445020268002
Energy: 0.48891224071389894
Energy: 0.511691865594856
Energy: 0.4892555626770375
Energy: 0.5057329812180567
Energy: 0.49761697919913295
Energy: 0.4783837765016863
Energy: 0.47834418076484064
Energy: 0.5010558286596581
Energy: 0.4816114918931787
Energy: 0.4784807077372235
Energy: 0.6329727411000678
Energy: 0.479374255011231
Energy: 0.47823906407066347
Energy: 0.5558747056541533
Energy: 0.4786654365613138
Energy: 0.5554877259018355
Energy: 0.5449139663823972
Energy: 0.48118288683688976
Energy: 0.4776209475654404
Energy: 0.49980227334532995
Energy: 0.5192493801935338
Energy: 0.5030910098678856
Energy: 0.5622797843471544
Energy: 0.6095824224712811
Energy: 0.6063604467957037
Energy: 0.5599670223767949
Energy: 0.6270762826934199
Energy: 0.5120794417221114
Energy: 0.5093946769807493
Energy: 0.5043286470635102
Energy: 0.5076100511770306
Energy: 0.5099531033628873
Energy: 0.4915567048761026
Energy: 0.5096116797788992
Energy: 0.5000725245633293
Energy: 0.5166262417151631
Energy: 0.5054119824606056
Energy: 0.5005213730343856
Energy: 0.5043293700663697
Energy: 0.49937577650172604
Energy: 0.5298711885047418
Energy: 0.5367453614565179
Energy: 0.5021542969990702
Energy: 0.529635232509207
Energy: 0.5383607779295697
Energy: 0.50141810556981
Energy: 0.459223327731165
Energy: 0.48508759843390825
Energy: 0.48518848079854127
Energy: 0.5024674075536104
Energy: 0.49415694084569606
Energy: 0.526123218124755
Energy: 0.7306974722576306
Energy: 0.4988780171389748
Energy: 0.4989345052403241
Energy: 0.4799026161192545
Energy: 0.4987647760214046
Energy: 0.4762107918192773
Energy: 0.5712408078127897
Energy: 0.5098074862602436
Energy: 0.5097026317246958
Energy: 0.4913257992631528
Energy: 0.5102777336422388
Energy: 0.5094862190933243
Energy: 0.48059989952104987
Energy: 0.5083945910542598
Energy: 0.5079612634095172
Energy: 0.4863829481953713
Energy: 0.508625151085381
Energy: 0.5010040369154911
Energy: 0.5336289679073032
Energy: 0.49903109719846434
Energy: 0.4981226382808006
Energy: 0.518561520056304
Energy: 0.49987513732323036
Energy: 0.5431210620481192
Energy: 0.532829099977924
Energy: 0.49594510654672697
Energy: 0.4962504644985247
Energy: 0.5330135923794901
Energy: 0.49652002657078403
Energy: 0.49378479550869203
Energy: 0.4790555310338089
Energy: 0.47814482195122493
Energy: 0.468208225219587
Energy: 0.479801451739705
Energy: 0.46496749489053
Energy: 0.47881854648429584
Energy: 0.48915192424059656
Energy: 0.5128766719263722
Energy: 0.49007261285198256
Energy: 0.48918344569077366
Energy: 0.5044964981612328
Energy: 0.4894800826017605
Energy: 0.48892919143229585
Energy: 0.6791154015604663
Energy: 0.6463551564899531
Energy: 0.4889796408895327
Energy: 0.705798342635915
Energy: 0.5470112337037086
Energy: 0.5456809144785778
Energy: 0.47917818849155236
Energy: 0.47759525624445553
Energy: 0.48903438258851556
Energy: 0.509034214006603
Energy: 0.4876960978474501
Energy: 0.498240542259839
Energy: 0.4793949352321938
Energy: 0.4958901345832665
Energy: 0.48125559185477124
Energy: 0.4791524529378176
Energy: 0.4793585418089394
Energy: 0.4971600477201658
Energy: 0.48061375880228463
Energy: 0.47973440069801215
Energy: 0.4806768624706291
Energy: 0.47998431289751203
Energy: 0.4844650658836883
Energy: 0.5989865896936358
Energy: 0.492426797460536
Energy: 0.4890539863208612
Energy: 0.5236386248344118
Energy: 0.4894913266877604
Energy: 0.5401881585172689

minimum gb energy = 0.4274126700108543 eV
minimum distance =  2.58343919176801 Angstroms
sigma value = 57


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

Energy: 0.27626857148674794
Energy: 0.29668496685237605
Energy: 0.28201707443294854
Energy: 0.27781960652633564
Energy: 0.29659312282813455
Energy: 0.2765754994579339
Energy: 0.321818871001468
Energy: 0.2827122671668325
Energy: 0.28238015977449815
Energy: 0.29760467893861847
Energy: 0.2984806793615362
Energy: 0.2825471697584297
Energy: 0.32040895093416727
Energy: 0.2965784949987022
Energy: 0.2969221491941389
Energy: 0.29844410819335415
Energy: 0.29638405577012117
Energy: 0.2968157749281074
Energy: 0.320583732051648
Energy: 0.296547323726511
Energy: 0.2964390771097808
Energy: 0.29735546739380186
Energy: 0.32088764742472387
Energy: 0.2965904925906839
Energy: 0.32071418823725395
Energy: 0.2767241664749875
Energy: 0.29290179372118225
Energy: 0.3213914855588845
Energy: 0.2765111338121524
Energy: 0.3021843653077606
Energy: 0.2963893751220505
Energy: 0.27644418567108237
Energy: 0.276822924216844
Energy: 0.28332070815333776
Energy: 0.2764788775661773
Energy: 0.29140271796450157
Energy: 0.2965380241527851
Energy: 0.2826911853331214
Energy: 0.2827985428844402
Energy: 0.2969058631684712
Energy: 0.29676793286661696
Energy: 0.2828358397908319
Energy: 0.2962927976452769
Energy: 0.3205061708684557
Energy: 0.32113964722633026
Energy: 0.2963513406996333
Energy: 0.3205930325806341
Energy: 0.296638473529113
Energy: 0.32042716715542424
Energy: 0.30244343361582615
Energy: 0.30343527629800715
Energy: 0.321346708427313
Energy: 0.29792761324888406
Energy: 0.2967736789188891
Energy: 0.2763619421453871
Energy: 0.29653953187296384
Energy: 0.29215644301656407
Energy: 0.2763995953883037
Energy: 0.2979369982352924
Energy: 0.2920223380126065
Energy: 0.2764356138878899
Energy: 0.2822475680009139
Energy: 0.28243234778164245
Energy: 0.2764926671434269
Energy: 0.2836444257610486
Energy: 0.2939901433656864
Energy: 0.3221515464980669
Energy: 0.2970744671674402
Energy: 0.3020284575303737
Energy: 0.32188881105835015
Energy: 0.29735378097423526
Energy: 0.3021943735170977
Energy: 0.31994839468970604
Energy: 0.32018253755726184
Energy: 0.32043449755857584
Energy: 0.32034733705950685
Energy: 0.31988274545766504
Energy: 0.3204378057071732
Energy: 0.3210315475140814
Energy: 0.2968478320249088
Energy: 0.3029739098320645
Energy: 0.3215948382377369
Energy: 0.29831520964571884
Energy: 0.30390344352029297
Energy: 0.3202937927022674
Energy: 0.27646496747843136
Energy: 0.2765646742708023
Energy: 0.2990162842590981
Energy: 0.2794759767821326
Energy: 0.2775411441300085
Energy: 0.2988030276624263
Energy: 0.29702890683148203
Energy: 0.2826080332533975
Energy: 0.29886861499300255
Energy: 0.276535272613233
Energy: 0.2822150165676552
Energy: 0.2964615135646518
Energy: 0.3042336088942037
Energy: 0.2982249559749023
Energy: 0.29649241150200495
Energy: 0.2983965849602844
Energy: 0.2970483764290753
Energy: 0.3221153622454451
Energy: 0.32077294509320986
Energy: 0.2966035680014817
Energy: 0.32040972543851876
Energy: 0.29813546800433227
Energy: 0.29653021874162655
Energy: 0.27650231696911864
Energy: 0.2824792751329719
Energy: 0.2827838199020286
Energy: 0.2765499034996993
Energy: 0.3216718551785305
Energy: 0.3027111968006268

minimum gb energy = 0.27626857148674794 eV
minimum distance =  2.71327067172891 Angstroms
sigma value = 11


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

Energy: 0.7776743731921977
Energy: 0.9034763984617055
Energy: 0.7281497549174851
Energy: 0.6642776041725509
Energy: 0.9012558744310238
Energy: 0.7370729108742788
Energy: 0.44738394684656657
Energy: 0.44082511423150345
Energy: 0.451336932362822
Energy: 0.4401866446366837
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Energy: 0.4465467904070995
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Energy: 0.44643864633158487
Energy: 0.45617539430175835
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Energy: 0.44729782639667043
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Energy: 0.4494729639205099
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Energy: 0.4502618314987492
Energy: 0.4339022629720932
Energy: 0.4477412444515059
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Energy: 0.4527231802603522
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Energy: 0.5936526197883084
Energy: 0.6013804560447807
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Energy: 0.42872246988659907
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Energy: 0.4783377454716756
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Energy: 0.5866256868162814
Energy: 0.5155208084042294
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Energy: 0.6066007871693293
Energy: 0.48478053188959275
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Energy: 0.4701976980483859
Energy: 0.44032822012437683
Energy: 0.4701062889258291
Energy: 0.4757521705444662
Energy: 0.41997006570889933
Energy: 0.5157215216224694
Energy: 0.46957587487975205
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Energy: 0.45030920190971296
Energy: 0.47837606444230973
Energy: 0.4624780012606707
Energy: 0.5316770131198556
Energy: 0.554359473241545
Energy: 0.5150663518895127
Energy: 0.5015301615699693
Energy: 0.5168480523742639
Energy: 0.514493759584153
Energy: 0.6298490660325361
Energy: 0.4769538942322504
Energy: 0.4287174348872663
Energy: 0.4495126988986872
Energy: 0.4824371091819945
Energy: 0.43021853851064024
Energy: 0.4485446839372313
Energy: 0.6382909040629055
Energy: 0.5495586705346334
Energy: 0.44851498033536946
Energy: 0.640764228044739
Energy: 0.5365053307442574
Energy: 0.4559162765969681
Energy: 0.4342903066679161
Energy: 0.42840831524435286
Energy: 0.45611571721880534
Energy: 0.4346583480093509
Energy: 0.44709465310137886
Energy: 0.44810390394505284
Energy: 0.4446188987449189
Energy: 0.4435892330956423
Energy: 0.4484606770947845
Energy: 0.44382444232049967
Energy: 0.4447587482467294
Energy: 0.46999574695580537
Energy: 0.4435088906744684
Energy: 0.4424271425055663
Energy: 0.4500248708185927
Energy: 0.44791369891204
Energy: 0.46373966251531223
Energy: 0.6203748237630263
Energy: 0.4559319926970841
Energy: 0.4513391092056682
Energy: 0.4840875798925748
Energy: 0.448137944928488
Energy: 0.4288832241638248

minimum gb energy = 0.41997006570889933 eV
minimum distance =  2.59731887265434 Angstroms
sigma value = 41


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

Energy: 0.7242781599625048
Energy: 0.7109597651081816
Energy: 0.5387164983488409
Energy: 0.5521367837631864
Energy: 0.5766123502385742
Energy: 0.5688162413377983
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Energy: 0.4575156204553766
Energy: 0.4671211098960162
Energy: 0.4803153477233234
Energy: 0.4552599671724508
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Energy: 0.506788006494037
Energy: 0.5128065112034784
Energy: 0.49206650685468883
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Energy: 0.4572470935089049
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Energy: 0.511030156157174
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Energy: 0.48761203452154495
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Energy: 0.5437870241563021
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Energy: 0.4718623102884987
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Energy: 0.543593874403498
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Energy: 0.42918768261241563
Energy: 0.48154915679552124
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Energy: 0.4470517159498613
Energy: 0.7675426162684514
Energy: 0.6239254236146669
Energy: 0.5188333537213377
Energy: 0.6385129810008617
Energy: 0.6286161838372913
Energy: 0.5242982929610126
Energy: 0.5451117613494635
Energy: 0.4571586445858244
Energy: 0.4567731373181789
Energy: 0.48128644795648323
Energy: 0.4774784098908387
Energy: 0.4553484360655655
Energy: 0.5188860991401631
Energy: 0.5009242814480845
Energy: 0.4919065422791191
Energy: 0.5112911953061758
Energy: 0.5015037306842073
Energy: 0.4412809071577873
Energy: 0.5432346197709114
Energy: 0.47484710221644866
Energy: 0.4555170289877623
Energy: 0.4698756799876873
Energy: 0.47418317837929497
Energy: 0.4452786435272967
Energy: 0.5442030802560525
Energy: 0.47970496256852674
Energy: 0.44950869616584055
Energy: 0.4799107187389462
Energy: 0.47498922771509533
Energy: 0.4508399040111861
Energy: 0.6141540790368953
Energy: 0.47496019639806336
Energy: 0.46612867931988633
Energy: 0.5435049640933741
Energy: 0.6328059930889484
Energy: 0.4458460092574268
Energy: 0.6123799701831436
Energy: 0.4385410054691794
Energy: 0.46225907089106805
Energy: 0.4906814576342743
Energy: 0.4455644502878809
Energy: 0.45027426516065483
Energy: 0.48717480285322773
Energy: 0.5516697027000851
Energy: 0.554560871969158
Energy: 0.48727970366590456
Energy: 0.5316900635017552
Energy: 0.5663735656076464
Energy: 0.4754214634425169
Energy: 0.4504259169029382
Energy: 0.44998260073168395
Energy: 0.4739652900500044
Energy: 0.4659300387520398
Energy: 0.4502232631299999
Energy: 0.4777115127220185
Energy: 0.4815332479406622
Energy: 0.4747786121999343
Energy: 0.4777931656117416
Energy: 0.5285029908492381
Energy: 0.4778413155127453
Energy: 0.48014976919344476
Energy: 0.47019888512145896
Energy: 0.44636641302227414
Energy: 0.4801069625302431
Energy: 0.4804740492063546
Energy: 0.45621580966172526
Energy: 0.7128142754628494
Energy: 0.48561587645548
Energy: 0.4291088552644217
Energy: 0.4476653637045975
Energy: 0.4816141006605785
Energy: 0.4305388469365747

minimum gb energy = 0.4291088552644217 eV
minimum distance =  2.60545518787206 Angstroms
sigma value = 33


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

Energy: 0.5874830873309339
Energy: 0.9891288243099685
Energy: 0.6635707440576071
Energy: 0.5883804794746387
Energy: 0.584567600185836
Energy: 0.6716047921784515
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Energy: 0.4725349217373135
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Energy: 0.4706703385856475
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Energy: 0.4701633274186023
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Energy: 0.4638563071411536
Energy: 0.5642644874037787
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Energy: 0.5788240364466123
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Energy: 0.4719239369034806
Energy: 0.8430382670809105
Energy: 0.5983401118287054
Energy: 0.6368676598931499
Energy: 0.6704870870972928
Energy: 0.6038080781573926
Energy: 0.646515210290269

minimum gb energy = 0.4572349530946509 eV
minimum distance =  2.63334375644262 Angstroms
sigma value = 67


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

Energy: 0.6506631387426202
Energy: 0.6962092649394439
Energy: 0.4244296503427994
Energy: 0.6527102397932194
Energy: 0.6970276806576611
Energy: 0.4211650447695433
Energy: 0.5490159468702277
Energy: 0.4027227316122631
Energy: 0.4014995259198844
Energy: 0.40055277378147847
Energy: 0.4011595926445807
Energy: 0.401358700251195
Energy: 0.5303918061983419
Energy: 0.38502210186653235
Energy: 0.40105792532235623
Energy: 0.5294418639482297
Energy: 0.3850232046086211
Energy: 0.40085369193586623
Energy: 0.5016421820401602
Energy: 0.40114591604631783
Energy: 0.4010164706517429
Energy: 0.5019962983157696
Energy: 0.40098817166717793
Energy: 0.40088546162651145
Energy: 0.5017916188993206
Energy: 0.40094192373315685
Energy: 0.40109749630548597
Energy: 0.5017503327947483
Energy: 0.4010035908932486
Energy: 0.4009997624023457
Energy: 0.5018585028358519
Energy: 0.3997092911811436
Energy: 0.4011321964509127
Energy: 0.5018290316066372
Energy: 0.52893701852588
Energy: 0.5020907053890702
Energy: 0.6645254574795317
Energy: 0.4033465331082026
Energy: 0.4021916587145019
Energy: 0.5146258448827186
Energy: 0.40112117240950684
Energy: 0.40220174864004277

minimum gb energy = 0.38502210186653235 eV
minimum distance =  2.72980164364075 Angstroms
sigma value = 3


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

Energy: 0.8169385842383414
Energy: 0.7403249734648812
Energy: 0.5865004484956764
Energy: 0.48807223239241004
Energy: 0.7457634374314516
Energy: 0.5782185843625215
Energy: 0.4673795341226418
Energy: 0.5470889023833829
Energy: 0.4681274335109559
Energy: 0.5015812741507972
Energy: 0.5098054241404998
Energy: 0.4706058219375663
Energy: 0.4939651893800518
Energy: 0.46451678253739764
Energy: 0.46447840411955327
Energy: 0.4940844115810887
Energy: 0.4643795504706248
Energy: 0.4857797164198053
Energy: 0.4714551820354322
Energy: 0.46795746287343254
Energy: 0.4679777812121314
Energy: 0.47197553469446235
Energy: 0.46444893582457125
Energy: 0.4674392306051122
Energy: 0.4744320653281101
Energy: 0.4928593127119357
Energy: 0.46783298962728564
Energy: 0.4672282751637551
Energy: 0.5028516879751082
Energy: 0.4676813356492205
Energy: 0.46939170102173183
Energy: 0.4921601037039549
Energy: 0.49625858219871344
Energy: 0.46940759299769963
Energy: 0.5026878545072605
Energy: 0.4963480828820881
Energy: 0.4678539797167144
Energy: 0.5094663292624623
Energy: 0.5126262788450336
Energy: 0.48065872656209907
Energy: 0.552727182974529
Energy: 0.4761838368097729
Energy: 0.7571946674462617
Energy: 0.5375410690349968
Energy: 0.5435830223331628
Energy: 0.47102159168078844
Energy: 0.6270977821253038
Energy: 0.5454653056189531
Energy: 0.46898875545116214
Energy: 0.5109480845737782
Energy: 0.5064040562065122
Energy: 0.46971385186446174
Energy: 0.473417738246211
Energy: 0.4757384075125027
Energy: 0.6227627140900808
Energy: 0.48788967749245626
Energy: 0.487727709017063
Energy: 0.6233962792007743
Energy: 0.48765424718632366
Energy: 0.5576637585682942
Energy: 0.5619251202879292
Energy: 0.487167690681338
Energy: 0.486828525052122
Energy: 0.5735214979392411
Energy: 0.5539304303301172
Energy: 0.4991530718646775
Energy: 0.5529237030645623
Energy: 0.5891760125489178
Energy: 0.47006761739314573
Energy: 0.5050798229480687
Energy: 0.46872598958092676
Energy: 0.4701963921169564
Energy: 0.6158330374004707
Energy: 0.4688954245566241
Energy: 0.46899637309411996
Energy: 0.49320025337804196
Energy: 0.4687294021523526
Energy: 0.4689315645703797
Energy: 0.551070277551731
Energy: 0.47335091965436943
Energy: 0.468481488848792
Energy: 0.4887933123619081
Energy: 0.47137996988327585
Energy: 0.46856696051155655
Energy: 0.6645936486289983
Energy: 0.4684131974831483
Energy: 0.46936245915487784
Energy: 0.48690292612043246
Energy: 0.4684165904736049
Energy: 0.5782444557990564
Energy: 0.550645438041256
Energy: 0.49389273378528875
Energy: 0.4953006667528428
Energy: 0.48550904782697585
Energy: 0.5652716310205643
Energy: 0.49281059301868974
Energy: 0.7548730366240469
Energy: 0.5231260070056573
Energy: 0.5233719858412685
Energy: 0.6821948965394398
Energy: 0.5233734892765589
Energy: 0.7085524474861904
Energy: 0.5263308361983239
Energy: 0.49157539033943315
Energy: 0.4924790194356235
Energy: 0.5262407240195487
Energy: 0.4881378871780646
Energy: 0.49227567752004053
Energy: 0.5241007528770122
Energy: 0.6011053837112642
Energy: 0.4904485063902216
Energy: 0.530254610933993
Energy: 0.5972220457337873
Energy: 0.46835941999435826
Energy: 0.7103722421384209
Energy: 0.5034718572131988
Energy: 0.5033851317914542
Energy: 0.4680989361156276
Energy: 0.5090141548112023
Energy: 0.4687992674128972
Energy: 0.5310822528272577
Energy: 0.49534766685939824
Energy: 0.4975364224001861
Energy: 0.4644238005885754
Energy: 0.4955789985981176
Energy: 0.4927615347547339
Energy: 0.5266022523743197
Energy: 0.5442799566455654
Energy: 0.5847620937888454
Energy: 0.46607844839329915
Energy: 0.4921563149467443
Energy: 0.46532836958974627
Energy: 0.5260521113824664
Energy: 0.5382322138518629
Energy: 0.4649172609570635
Energy: 0.5269495169192345
Energy: 0.5512604884684768
Energy: 0.461962102600483
Energy: 0.5212902930781559
Energy: 0.46823468494110415
Energy: 0.5029509735121988
Energy: 0.5211681795668777
Energy: 0.4708739968312779
Energy: 0.5211632684173002
Energy: 0.4675140242347117
Energy: 0.4618656833659987
Energy: 0.46164350236399654
Energy: 0.4679759932318449
Energy: 0.5497965386305098
Energy: 0.4615826529576691
Energy: 0.784110533056991
Energy: 0.6556479632346606
Energy: 0.6068311577360244
Energy: 0.46157138125918096
Energy: 0.655045108335632
Energy: 0.4615489975279231
Energy: 0.4703106347791248
Energy: 0.6076053526009018
Energy: 0.5527482685057187
Energy: 0.46144127369939547
Energy: 0.5837152814471083
Energy: 0.46128458752665197
Energy: 0.46149274217687114
Energy: 0.46184669910322973
Energy: 0.461770429003765
Energy: 0.4614595175050414
Energy: 0.5533867648363693
Energy: 0.4614117017369948
Energy: 0.4816942291343148
Energy: 0.4642882314411507
Energy: 0.46437191793845634
Energy: 0.4817537976382877
Energy: 0.46422842316348584
Energy: 0.48156344442722077
Energy: 0.48336898553197233
Energy: 0.4785213176475693
Energy: 0.4630689051892089
Energy: 0.48409740814046065
Energy: 0.5381287949876399
Energy: 0.4647926142820269
Energy: 0.4831657915869805
Energy: 0.5497598952419616
Energy: 0.4637423187011672
Energy: 0.4623088840542669
Energy: 0.4923084113590485
Energy: 0.47848284543627273
Energy: 0.4880661561575474
Energy: 0.49580939400539376
Energy: 0.4941827086611621
Energy: 0.4637373130690535
Energy: 0.5301717404832735
Energy: 0.4939353906513894
Energy: 0.7596840261565505
Energy: 0.5723105884523483
Energy: 0.572278867998519
Energy: 0.46805635877817486
Energy: 0.5763264894668637
Energy: 0.5230841558514179
Energy: 0.4884347496679753
Energy: 0.5623879752471675
Energy: 0.5344472056667704
Energy: 0.46410824181522686
Energy: 0.4703452379062646
Energy: 0.532183580737284
Energy: 0.48303566795345265
Energy: 0.48718378327014794
Energy: 0.48699608588556764
Energy: 0.48312820861164296
Energy: 0.5541675896007663
Energy: 0.5029067903710284
Energy: 0.5884416062141803
Energy: 0.488058932466022
Energy: 0.4879428557949878
Energy: 0.5803131795976186
Energy: 0.4880498635857946
Energy: 0.5623248580715822
Energy: 0.5501777749157234
Energy: 0.5304951791052422
Energy: 0.5255849259772184
Energy: 0.5285911625029064
Energy: 0.4734347509156135
Energy: 0.5242023402317274
Energy: 0.6210638646087446
Energy: 0.4690544179732126
Energy: 0.46912590563041784
Energy: 0.49315681091702523
Energy: 0.46885194653472007
Energy: 0.4699967698600688
Energy: 0.5526842633136425
Energy: 0.47309059231818656
Energy: 0.46838318218820035
Energy: 0.4893332354342794
Energy: 0.4718581229613536
Energy: 0.4682281534844851
Energy: 0.663444411871102
Energy: 0.46860714657750346
Energy: 0.4692512563576181
Energy: 0.48687796384113674
Energy: 0.46856295973720186
Energy: 0.4691857884257915
Energy: 0.5516504993729123
Energy: 0.5933840227469
Energy: 0.46895192258526913
Energy: 0.5037697394365203
Energy: 0.4685014153075165
Energy: 0.4691195348389242
Energy: 0.5738960186475306
Energy: 0.49228762112335617
Energy: 0.5285853270324824
Energy: 0.5640142968113518
Energy: 0.46421695590174267
Energy: 0.5110073372761555
Energy: 0.5761329426915228
Energy: 0.5231096601894653
Energy: 0.5228816890562377
Energy: 0.5756255311143568
Energy: 0.5230113891686408
Energy: 0.5336712281106535
Energy: 0.511509949949206
Energy: 0.4724383929596706
Energy: 0.4693271785521435
Energy: 0.4881678124010589
Energy: 0.4730835952021073
Energy: 0.46948204193613835
Energy: 0.7120497956483742
Energy: 0.5071459706350553
Energy: 0.5051333893499904
Energy: 0.4852911851939771
Energy: 0.5070940096704616
Energy: 0.5057782872259133
Energy: 0.5114223481013869
Energy: 0.4721051469288462
Energy: 0.4699950157011594
Energy: 0.4687229293477365
Energy: 0.512580022287992
Energy: 0.470423738091672
Energy: 0.510585389737591
Energy: 0.4969408496682705
Energy: 0.5032016363297005
Energy: 0.4689024521228396
Energy: 0.4960133483712968
Energy: 0.49832694119594917
Energy: 0.5163717365903339
Energy: 0.5503942352329472
Energy: 0.48602125823759235
Energy: 0.46903435611496497
Energy: 0.505324525710406
Energy: 0.46901555677000745
Energy: 0.509924857819191
Energy: 0.46958607136993996
Energy: 0.4680132348632129
Energy: 0.5105492822725476
Energy: 0.46819445246578795
Energy: 0.4681073176624261
Energy: 0.5949518830303288
Energy: 0.46955131855481874
Energy: 0.46937998395679775
Energy: 0.5958231085056827
Energy: 0.4677876132969441
Energy: 0.46823538961416095
Energy: 0.4644717418930654
Energy: 0.5449753316492292
Energy: 0.5194566703390021
Energy: 0.5371936481570551
Energy: 0.47374059823409037
Energy: 0.4691838144498031

minimum gb energy = 0.46128458752665197 eV
minimum distance =  2.68104454939497 Angstroms
sigma value = 81


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

Energy: 0.8281012643212176
Energy: 0.5778233459611509
Energy: 0.5212638316292015
Energy: 0.5211672093567958
Energy: 0.6074282731179451
Energy: 0.5247910506914444
Energy: 0.4926930694219247
Energy: 0.4736090348991798
Energy: 0.5226094443679206
Energy: 0.5156406134768711
Energy: 0.47416357849275736
Energy: 0.5087841528023771
Energy: 0.5279449430259204
Energy: 0.5024352981649062
Energy: 0.48660126261433856
Energy: 0.5293426927900173
Energy: 0.4691441613046407
Energy: 0.5054210913358129
Energy: 0.4914487285634828
Energy: 0.5027467976793386
Energy: 0.49196577794931556
Energy: 0.4904206577986488
Energy: 0.4703598800721706
Energy: 0.4904713558686217
Energy: 0.4917874315365737
Energy: 0.5213335369031754
Energy: 0.4977212839982078
Energy: 0.4917682021815005
Energy: 0.4866379681202856
Energy: 0.49755299148995363
Energy: 0.5863664722030476
Energy: 0.5163408117699678
Energy: 0.5206855988782224
Energy: 0.5865777077738076
Energy: 0.4869470888843426
Energy: 0.4974899023816979
Energy: 0.49043134021872353
Energy: 0.4740833092114145
Energy: 0.487099087049244
Energy: 0.49496693722183804
Energy: 0.4739323321512048
Energy: 0.488110094435719
Energy: 0.6906060205472921
Energy: 0.529690722505255
Energy: 0.8178186372879529
Energy: 0.5155273378084121
Energy: 0.7708744380103592
Energy: 0.4950339886404283
Energy: 0.49816422421332507
Energy: 0.5104526958321789
Energy: 0.5110975667408686
Energy: 0.4991339192093883
Energy: 0.5078934882462944
Energy: 0.5110988847824856
Energy: 0.5336202769728543
Energy: 0.4607924382200905
Energy: 0.46082695076296976
Energy: 0.5336237825805332
Energy: 0.46089915465370895
Energy: 0.4609785693339681
Energy: 0.5128092782186415
Energy: 0.46069323530853423
Energy: 0.4606645623534903
Energy: 0.5100496407758441
Energy: 0.47686337707411974
Energy: 0.49376707771447487
Energy: 0.5009392872952089
Energy: 0.5090040060071902
Energy: 0.4863248085488118
Energy: 0.4707184743183915
Energy: 0.47109864320188055
Energy: 0.5108394208934154
Energy: 0.5010824983525968
Energy: 0.47140802747682575
Energy: 0.4716428107566529
Energy: 0.4691625662336002
Energy: 0.4750399485945237
Energy: 0.5028825768974596
Energy: 0.5120160865908587
Energy: 0.4718944645444259
Energy: 0.5056091921193044
Energy: 0.5140757330083422
Energy: 0.47239082422522183
Energy: 0.5048878343731223
Energy: 0.6804227255897843
Energy: 0.5496573365788825
Energy: 0.5488040794577331
Energy: 0.49159634957437404
Energy: 0.5043465164320561
Energy: 0.5160868757615678
Energy: 0.5120166361533788
Energy: 0.5069645648029094
Energy: 0.5084547528030027
Energy: 0.4787058497954322
Energy: 0.49888869564527444
Energy: 0.5147830022588703
Energy: 0.5144568562817788
Energy: 0.5072251176014662
Energy: 0.4951320565630908
Energy: 0.5145183207760267
Energy: 0.4862590774823767
Energy: 0.49485126051912603
Energy: 0.4756163328258617
Energy: 0.49619056905561476
Energy: 0.4930043144968072
Energy: 0.4754123847140461
Energy: 0.5036782635065583
Energy: 0.491257826880505
Energy: 0.4612963463511292
Energy: 0.6108103783508334
Energy: 0.4606053440577668
Energy: 0.46098075295748914
Energy: 0.6105470599022575
Energy: 0.4606977429093095
Energy: 0.4613349680121244
Energy: 0.5228856394185981
Energy: 0.4607808584412945
Energy: 0.4608732991412897
Energy: 0.5244916628394638
Energy: 0.4606080141080054
Energy: 0.4758021944894857
Energy: 0.5091931344415527
Energy: 0.5118118171773669
Energy: 0.47586190730881084
Energy: 0.511061731436815
Energy: 0.49243235505424393
Energy: 0.5118131173290645
Energy: 0.5023107910273807
Energy: 0.5300923275154052
Energy: 0.5117601788327524
Energy: 0.501885510957816
Energy: 0.5307446838248252
Energy: 0.5086247328467179
Energy: 0.5106282811335592
Energy: 0.5100576662887394
Energy: 0.4756940328928885
Energy: 0.5136963867461127
Energy: 0.4763246223006598
Energy: 0.5090572557387728
Energy: 0.5303357181277475
Energy: 0.5303190279535276
Energy: 0.47607202225924955
Energy: 0.5111260729492259
Energy: 0.5166721671835354
Energy: 0.6017502841531761
Energy: 0.48561588874864836
Energy: 0.5104705778820912
Energy: 0.6032230581282567
Energy: 0.47443775264975735
Energy: 0.5165651777192616
Energy: 0.6745166437444841
Energy: 0.4741119355700589
Energy: 0.4863942702702612
Energy: 0.48498150134810625
Energy: 0.4737908528976505
Energy: 0.4863506313539705
Energy: 0.5062908289041887
Energy: 0.4732709857085142
Energy: 0.4861400584633076
Energy: 0.4848842754976512
Energy: 0.47069190410391026
Energy: 0.5104907345031566
Energy: 0.6007927679996832
Energy: 0.46060786105628
Energy: 0.5050534472885503
Energy: 0.6015541688372358
Energy: 0.4640419557520254
Energy: 0.49384907586973475
Energy: 0.5130224735647483
Energy: 0.46087804978476266
Energy: 0.4609107782337031
Energy: 0.51284624081987
Energy: 0.46092389787259347
Energy: 0.5302788430688671
Energy: 0.49899230309291875
Energy: 0.47363302172281063
Energy: 0.5112201149547737
Energy: 0.4992096000211246
Energy: 0.5077110786490239
Energy: 0.5060937154210436
Energy: 0.5015263425666471
Energy: 0.5584402283310738
Energy: 0.5321182811511721
Energy: 0.5015561485559032
Energy: 0.558220883558324
Energy: 0.49920947641469166
Energy: 0.4884209369409057
Energy: 0.4713453365304523
Energy: 0.4715352314507549
Energy: 0.4946431826520579
Energy: 0.4739950913318867
Energy: 0.47130666050109354
Energy: 0.6661319243190854
Energy: 0.47179843081950007
Energy: 0.5198533798582992
Energy: 0.5071689073969095
Energy: 0.47106576737661665
Energy: 0.5134263453203981
Energy: 0.4959405825215134
Energy: 0.612933210959242
Energy: 0.5162410409243312
Energy: 0.4954211919305381
Energy: 0.5651438338058752
Energy: 0.515509863759534
Energy: 0.49406289727228575
Energy: 0.5064877160620184
Energy: 0.5055553027236929
Energy: 0.4939150137164708
Energy: 0.5066110920149438
Energy: 0.5063706449702982
Energy: 0.5263589225485978
Energy: 0.5069079388012773
Energy: 0.5062168330672674
Energy: 0.6189423717277575
Energy: 0.48482663442014085
Energy: 0.5274189053057962
Energy: 0.4936368241565114
Energy: 0.4736441670165747
Energy: 0.5145953130122265
Energy: 0.5155541226506493
Energy: 0.565753739361753
Energy: 0.5059532933503501
Energy: 0.8285371819899032
Energy: 0.5592220863670583
Energy: 0.5111615910004699
Energy: 0.5034919157290133
Energy: 0.5584109125352359
Energy: 0.5215144856555975

minimum gb energy = 0.4606053440577668 eV
minimum distance =  2.59999346920702 Angstroms
sigma value = 43


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

Energy: 0.8084616486597462
Energy: 0.7165051738415371
Energy: 0.5979588130167469
Energy: 0.520434658824239
Energy: 0.7009826564478598
Energy: 0.5203431399704804
Energy: 0.4919470772298752
Energy: 0.5137523262038918
Energy: 0.5557307529379939
Energy: 0.548879897026175
Energy: 0.5039480131100721
Energy: 0.5021599743086145
Energy: 0.6351113434131926
Energy: 0.4766653624307733
Energy: 0.47643456109732996
Energy: 0.573220400651684
Energy: 0.47617938441903196
Energy: 0.5178088929827345
Energy: 0.4912444129142817
Energy: 0.47724109585166474
Energy: 0.4907281921208151
Energy: 0.4910754927441788
Energy: 0.4758369936910602
Energy: 0.4906048255334282
Energy: 0.49046675442333076
Energy: 0.5019164009754244
Energy: 0.5020433727986717
Energy: 0.4904758328537279
Energy: 0.5016491479511294
Energy: 0.5016438002573623
Energy: 0.49090029375527866
Energy: 0.5014239788827722
Energy: 0.5017803820378085
Energy: 0.5017494876972806
Energy: 0.49070345519897335
Energy: 0.5027631662418915
Energy: 0.5162998955244257
Energy: 0.4905162220827705
Energy: 0.49051251849456107
Energy: 0.5167887491467227
Energy: 0.49155404939666275
Energy: 0.49035104452474254
Energy: 0.6868130556061647
Energy: 0.49107855932929284
Energy: 0.4911542829262933
Energy: 0.5223643212352594
Energy: 0.49093490434922604
Energy: 0.6015257324328196
Energy: 0.5168436303057709
Energy: 0.49062955086741245
Energy: 0.49056641538748874
Energy: 0.5172431267921672
Energy: 0.5766082794864289
Energy: 0.4905156542225016
Energy: 0.5526898487804862
Energy: 0.5614444562523737
Energy: 0.5898341925430516
Energy: 0.6216768491774533
Energy: 0.5599508826493982
Energy: 0.6139411662068279
Energy: 0.4751956655252872
Energy: 0.5293080394200058
Energy: 0.5221991481277963
Energy: 0.4753756998544001
Energy: 0.5503295867689981
Energy: 0.5396062314182571
Energy: 0.5521095380300942
Energy: 0.5884459473333337
Energy: 0.5181297387715513
Energy: 0.4766547512292681
Energy: 0.6371681089553298
Energy: 0.49127894507252917
Energy: 0.7254618328688377
Energy: 0.4917220433427128
Energy: 0.5289664009613645
Energy: 0.4759473877289998
Energy: 0.5182550263545695
Energy: 0.5036469268262462
Energy: 0.4756180524137149
Energy: 0.5065722666057189
Energy: 0.5451764525679346
Energy: 0.47540949387051096
Energy: 0.5066210259994036
Energy: 0.5461282840486928
Energy: 0.4757322988179607
Energy: 0.5449610649370462
Energy: 0.4779286391037767
Energy: 0.4761422884597344
Energy: 0.5251880777564721
Energy: 0.47682839747024064
Energy: 0.4758093269116887
Energy: 0.47670280408799837
Energy: 0.47577589832142586
Energy: 0.47612965214244246
Energy: 0.5157748749958307
Energy: 0.4755974199198649
Energy: 0.47649382151186115
Energy: 0.4766000303399851
Energy: 0.4765530859028729
Energy: 0.4765231499440399
Energy: 0.5444197166290249
Energy: 0.47642686032493026
Energy: 0.47618821022879504
Energy: 0.5214970999054729
Energy: 0.5217316839521469
Energy: 0.4762126214512818
Energy: 0.5313614561367334
Energy: 0.4754536843471411
Energy: 0.5157333137306155
Energy: 0.5171465989907934
Energy: 0.514306282406027
Energy: 0.5045116509480028
Energy: 0.5199375719818102
Energy: 0.4904391995231749
Energy: 0.5155353324760927
Energy: 0.6003219662911842
Energy: 0.5141885523027032
Energy: 0.4905593686689502
Energy: 0.5527474976797031
Energy: 0.49051528868453015
Energy: 0.476057673487352
Energy: 0.5380299247711586
Energy: 0.49438628771112414
Energy: 0.4761414869012613
Energy: 0.5395821722181375
Energy: 0.5223989421675016
Energy: 0.6306349689070233
Energy: 0.503866573964846
Energy: 0.5562748842652498
Energy: 0.6305353040568592
Energy: 0.4757790008585246
Energy: 0.5673077419683965
Energy: 0.5495910046751679
Energy: 0.5225198067512682
Energy: 0.5212298910210906
Energy: 0.5310092451703602
Energy: 0.5170851841707856
Energy: 0.5226907524660047
Energy: 0.5346759363112839
Energy: 0.6080697604704259
Energy: 0.5634666450945959
Energy: 0.4757217141453819
Energy: 0.4761469067804534
Energy: 0.47756762155440513
Energy: 0.5494796412462291
Energy: 0.47604241084161
Energy: 0.47569132163173916
Energy: 0.5497234604259311
Energy: 0.4765260261531293
Energy: 0.4765483727759575
Energy: 0.5200320265634968
Energy: 0.47603460293319405
Energy: 0.47567776549704965
Energy: 0.5452901691290649
Energy: 0.4755714902100113
Energy: 0.47716507775151823
Energy: 0.5198807209128173
Energy: 0.5597125577312105
Energy: 0.5315273181573816
Energy: 0.491333549412102
Energy: 0.4753111253322539
Energy: 0.5446131064101261
Energy: 0.5202107882471455
Energy: 0.5449374621044051
Energy: 0.49073621862917255
Energy: 0.5179042233395756
Energy: 0.5142109594157517
Energy: 0.49095893457383066
Energy: 0.697950408648036
Energy: 0.4907975451984696
Energy: 0.5053019193194206
Energy: 0.6271932600267135
Energy: 0.5208388540500701
Energy: 0.5649998831772799
Energy: 0.4910327159138001
Energy: 0.5138893801679316
Energy: 0.5455387875851425
Energy: 0.4907641625796772
Energy: 0.4754598422593079
Energy: 0.49042207273159866
Energy: 0.8098614764824841
Energy: 0.6812657191386402
Energy: 0.6644789948364292
Energy: 0.5037089412009049
Energy: 0.6454435967874526
Energy: 0.6191384969526373

minimum gb energy = 0.4751956655252872 eV
minimum distance =  2.60802318342878 Angstroms
sigma value = 57


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

Energy: 0.5742287552391581
Energy: 0.5949348465987089
Energy: 0.5448823624783122
Energy: 0.5748116494592455
Energy: 0.8664219279810251
Energy: 0.5445727706546963
Energy: 0.4909235999008975
Energy: 0.492808817494115
Energy: 0.4927492534422474
Energy: 0.4929751964154596
Energy: 0.49311314002343115
Energy: 0.48999555721897664
Energy: 0.6111842286691562
Energy: 0.4504832781529134
Energy: 0.4503556565635971
Energy: 0.6122396805997202
Energy: 0.5046938569374918
Energy: 0.45026960372857233
Energy: 0.49031349847359595
Energy: 0.4504744335311669
Energy: 0.4504264546420609
Energy: 0.4897222067677218
Energy: 0.5054728551003882
Energy: 0.48940068370221684
Energy: 0.48917117682216243
Energy: 0.4660934261358548
Energy: 0.4667164273014144
Energy: 0.4892315558679446
Energy: 0.46621257029272295
Energy: 0.4668094436861887
Energy: 0.45042245617611215
Energy: 0.4680878592862268
Energy: 0.4659853594359925
Energy: 0.4659668965329928
Energy: 0.49021870248874194
Energy: 0.4657605473227018
Energy: 0.4928283228115146
Energy: 0.49002720889213086
Energy: 0.48910195498836956
Energy: 0.493330543677879
Energy: 0.4912052577955379
Energy: 0.4892160480242431
Energy: 0.4888217809639772
Energy: 0.5647383319214349
Energy: 0.5640354464063579
Energy: 0.48911857598446035
Energy: 0.5657884454372207
Energy: 0.48972227909902644
Energy: 0.49273911297157574
Energy: 0.4907384041035997
Energy: 0.48957166270832003
Energy: 0.4932316071428495
Energy: 0.5582469582231723
Energy: 0.4903135219656385
Energy: 0.4930455510884635
Energy: 0.4893876752775117
Energy: 0.48908036166280405
Energy: 0.49327536606602607
Energy: 0.4893866834066775
Energy: 0.5494437555512911
Energy: 0.5583334779236722
Energy: 0.543846574659498
Energy: 0.4922269188967221
Energy: 0.5576951316984494
Energy: 0.49319176822412314
Energy: 0.48963156112536144
Energy: 0.4505001768731748
Energy: 0.5571283043375007
Energy: 0.49284000142766077
Energy: 0.4513329553205194
Energy: 0.5575828705211915
Energy: 0.5280234664049281
Energy: 0.45242280232515675
Energy: 0.49142219397107806
Energy: 0.5884300823102465
Energy: 0.5284345785865818
Energy: 0.4928956238666216
Energy: 0.5283656334335355
Energy: 0.5575203013819207
Energy: 0.4933399261501805
Energy: 0.49291906498984184
Energy: 0.558027589535804
Energy: 0.4936458141181838
Energy: 0.4897073261910951
Energy: 0.49585927053000667
Energy: 0.4774494564570378
Energy: 0.47721886451762396
Energy: 0.4958129621584865
Energy: 0.505332740515038
Energy: 0.4772347432288428
Energy: 0.48919846329844274
Energy: 0.4669323849744999
Energy: 0.46779379073413074
Energy: 0.4899224158973283
Energy: 0.49354719281736575
Energy: 0.48911533611608293
Energy: 0.49016569587865283
Energy: 0.4656337923961941
Energy: 0.46579181453903556
Energy: 0.48961329200691556
Energy: 0.4659172778619571
Energy: 0.46602861995281974
Energy: 0.4900608313577907
Energy: 0.4898704936072715
Energy: 0.46756415071241986
Energy: 0.4671780982045762
Energy: 0.4894395627001002
Energy: 0.4681873203527147
Energy: 0.4927244943462388
Energy: 0.48935759075337015
Energy: 0.4898659991156298
Energy: 0.5216339233514065
Energy: 0.48934194247036283
Energy: 0.4902676626493365
Energy: 0.4927684565754872
Energy: 0.5505968983623847
Energy: 0.489656206612664
Energy: 0.49336751558494557
Energy: 0.5568592688352527
Energy: 0.49000047768174987
Energy: 0.4930090620471032
Energy: 0.4940724117245175
Energy: 0.49286819889168154
Energy: 0.4931222610497768
Energy: 0.4936645432967732
Energy: 0.48978197469396945
Energy: 0.7007186099810532
Energy: 0.5168880812948332
Energy: 0.5165878824953638
Energy: 0.7120425468100782
Energy: 0.5446479093716947
Energy: 0.5165362756995978
Energy: 0.5571595219319031
Energy: 0.49355603136003756
Energy: 0.49288209070087674
Energy: 0.5577922935592767
Energy: 0.49358534938516646
Energy: 0.48971049557740404
Energy: 0.45027876852760956
Energy: 0.5513466540928086
Energy: 0.5887326924032743
Energy: 0.5284011767782026
Energy: 0.5572437696836883
Energy: 0.5283084210685698

minimum gb energy = 0.45026960372857233 eV
minimum distance =  2.64940094804828 Angstroms
sigma value = 17


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

Energy: 0.6642132207440768
Energy: 0.6817199770934312
Energy: 0.565256355698668
Energy: 0.4776415304096527
Energy: 0.6841588371514828
Energy: 0.4777597705700325
Energy: 0.5497407410598022
Energy: 0.4980581433443038
Energy: 0.49779001203786954
Energy: 0.5375961862981472
Energy: 0.49908912724434096
Energy: 0.49769932923200344
Energy: 0.5949969469541724
Energy: 0.4542580029665642
Energy: 0.4543488552279596
Energy: 0.595831894400276
Energy: 0.45446641196888166
Energy: 0.4545358726884547
Energy: 0.500317384484584
Energy: 0.4541982859817835
Energy: 0.45456823638018246
Energy: 0.49808224948687374
Energy: 0.4546267234423943
Energy: 0.49755386937771245
Energy: 0.4979460419925998
Energy: 0.500608501005472
Energy: 0.5010700331212746
Energy: 0.49785123456081376
Energy: 0.5004336528725007
Energy: 0.5013788566793798
Energy: 0.5942893132269389
Energy: 0.4453101380872795
Energy: 0.4454508056383894
Energy: 0.4353249102231727
Energy: 0.4450174693676714
Energy: 0.43678933537323394
Energy: 0.4542242988795551
Energy: 0.44619668299639587
Energy: 0.44501756296338957
Energy: 0.4902313553289279
Energy: 0.4474478908887932
Energy: 0.49513073716050277
Energy: 0.4456699852535886
Energy: 0.5332292096962195
Energy: 0.5311345308196599
Energy: 0.5328716977937556
Energy: 0.554663997820656
Energy: 0.5311464245811406
Energy: 0.44685411371594375
Energy: 0.533450556200589
Energy: 0.5353803484293211
Energy: 0.44755982017485146
Energy: 0.4467501718163163
Energy: 0.44556138856842875
Energy: 0.444846947196955
Energy: 0.4453967064465102
Energy: 0.4451882798611413
Energy: 0.4448796753223468
Energy: 0.44559323139553836
Energy: 0.4458735257275881
Energy: 0.566217910752147
Energy: 0.47223469243633237
Energy: 0.4998002236177079
Energy: 0.5580857054483181
Energy: 0.4979813725162667
Energy: 0.5014214287706084
Energy: 0.4969498473774227
Energy: 0.4981915012664636
Energy: 0.4974519554546587
Energy: 0.4973920982812189
Energy: 0.4980484979173826
Energy: 0.497453943963653
Energy: 0.49733601772039104
Energy: 0.5396386767634107
Energy: 0.5396304925966579
Energy: 0.4716410114932436
Energy: 0.597270790486491
Energy: 0.4979218410575889
Energy: 0.557015171130921
Energy: 0.4982841311166737
Energy: 0.49805903881012703
Energy: 0.5564035603240645
Energy: 0.4982798827677632
Energy: 0.4979254660139549
Energy: 0.6693633326098479
Energy: 0.4977576357166615
Energy: 0.4971549729638735
Energy: 0.667324091893383
Energy: 0.4973993390602138
Energy: 0.538912468003434
Energy: 0.59679695170436
Energy: 0.5048394488392651
Energy: 0.4977402579776913
Energy: 0.5961920557965557
Energy: 0.5043338920044438
Energy: 0.49779765728752107
Energy: 0.5397229278094264
Energy: 0.5409855036457453
Energy: 0.5402000913877126
Energy: 0.5143085306649631
Energy: 0.5970655212694284
Energy: 0.5402477320486087

minimum gb energy = 0.4353249102231727 eV
minimum distance =  2.60802052893903 Angstroms
sigma value = 17


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

Energy: 0.6790957491179042
Energy: 0.6302164300966926
Energy: 0.4701961793009985
Energy: 0.4665971793038774
Energy: 0.6671676275456654
Energy: 0.46681405583698554
Energy: 0.5648883334887937
Energy: 0.4908971987616964
Energy: 0.4883373229901465
Energy: 0.4879377951947062
Energy: 0.48951812301501657
Energy: 0.4885586560056712
Energy: 0.5665632576660754
Energy: 0.41808539104943826
Energy: 0.4491889574971979
Energy: 0.5670717965767597
Energy: 0.41781934773120866
Energy: 0.4492220545185354
Energy: 0.4893576640880602
Energy: 0.44934038671360393
Energy: 0.44937890092897026
Energy: 0.49003146767337113
Energy: 0.4184711596528361
Energy: 0.4492744157467371
Energy: 0.4876074285757604
Energy: 0.4842416786384123
Energy: 0.48619037320396014
Energy: 0.48775274118483736
Energy: 0.530703729306852
Energy: 0.48551242659611765
Energy: 0.6118154568395268
Energy: 0.4350008775069965
Energy: 0.4183531428900587
Energy: 0.4182433700264419
Energy: 0.43513738506330885
Energy: 0.4178678965236201
Energy: 0.49070923049023957
Energy: 0.4346793102538373
Energy: 0.4345589017111531
Energy: 0.4841816003692652
Energy: 0.4361511557178515
Energy: 0.47498606464465626
Energy: 0.5350642221283542
Energy: 0.4913681797170567
Energy: 0.4581230427486737
Energy: 0.5356564641803062
Energy: 0.49179988093069094
Energy: 0.4574924241953008
Energy: 0.41566097420894466
Energy: 0.4970050253260608
Energy: 0.45915741199402543
Energy: 0.4146998118847955
Energy: 0.4183825946527053
Energy: 0.4140265141794134
Energy: 0.41426935119713837
Energy: 0.494635862207306
Energy: 0.49584623466022176
Energy: 0.4142192243992943
Energy: 0.4953623085005143
Energy: 0.4952621074180417
Energy: 0.5520634290986406
Energy: 0.4140930645141122
Energy: 0.4948451719672095
Energy: 0.4958532239394861
Energy: 0.4142525873133297
Energy: 0.49450629098148646
Energy: 0.4155192113169432
Energy: 0.414013037705218
Energy: 0.41412650243470195
Energy: 0.4162982774834796
Energy: 0.4163686490179496
Energy: 0.458874271711718
Energy: 0.43378679296008
Energy: 0.464493375056116
Energy: 0.45971490594969444
Energy: 0.4574529517265738
Energy: 0.5171367228427474
Energy: 0.4590790638427316
Energy: 0.43516279970400507
Energy: 0.5103759075778476
Energy: 0.5101051848122954
Energy: 0.43579404665273636
Energy: 0.48829126146982327
Energy: 0.4346719202889912
Energy: 0.43477353791774515
Energy: 0.5053932068499585
Energy: 0.4697142892598119
Energy: 0.4347388992801136
Energy: 0.457026172864986
Energy: 0.4350691346835357
Energy: 0.5376550712318413
Energy: 0.48784550799544485
Energy: 0.4854130888978524
Energy: 0.530626842617257
Energy: 0.48794788876616313
Energy: 0.48573077312599294
Energy: 0.4144875595412031
Energy: 0.4881709246128827
Energy: 0.4881877903140689
Energy: 0.43588412884762967
Energy: 0.4878980880780068
Energy: 0.43420604878047253
Energy: 0.4442580885706724
Energy: 0.5196959824704376
Energy: 0.4878534215413779
Energy: 0.44163255518578093
Energy: 0.5659165155680566
Energy: 0.4348236774967044
Energy: 0.5349957662149812
Energy: 0.4879999000071558
Energy: 0.48402531962774353
Energy: 0.5358428211873749
Energy: 0.46597947669651285
Energy: 0.48814684130741437
Energy: 0.6507911445318617
Energy: 0.48641177406539
Energy: 0.4865952522958324
Energy: 0.6507176405335832
Energy: 0.4346490092723992
Energy: 0.4905545619234178
Energy: 0.5686410411024488
Energy: 0.48814859549823614
Energy: 0.4878053797675593
Energy: 0.5651198510419705
Energy: 0.4881757658715002
Energy: 0.48767422533517485
Energy: 0.48207080479618386
Energy: 0.5216768540922405
Energy: 0.5564544305815499
Energy: 0.4492648212854015
Energy: 0.5666839542085267
Energy: 0.4492066681225796
Energy: 0.47956347292237095
Energy: 0.4883931338128429
Energy: 0.48836915585645374
Energy: 0.4802026153199626
Energy: 0.5352030297852421
Energy: 0.5246229113921168
Energy: 0.5659170332646652
Energy: 0.4499608017030929
Energy: 0.48814429736909193
Energy: 0.5669297148569745
Energy: 0.4790175865993467
Energy: 0.4880851661765249
Energy: 0.4879783005536546
Energy: 0.41797027687886834
Energy: 0.44926391903569396
Energy: 0.48803840546759636
Energy: 0.4182441467576617
Energy: 0.44937621458082344
Energy: 0.4892919652067421
Energy: 0.4863476480927853
Energy: 0.48616038343147744
Energy: 0.4899707748751111
Energy: 0.4854475650411972
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Energy: 0.4490515059454967
Energy: 0.5304332894196897
Energy: 0.4358174585501083
Energy: 0.41813651708452104
Energy: 0.5385140783034341
Energy: 0.41797045792495596
Energy: 0.4366888432343695
Energy: 0.43613436960238583
Energy: 0.4347467032899112
Energy: 0.4370447700926849
Energy: 0.43653612273603876
Energy: 0.4347700061927097
Energy: 0.5359913725955425
Energy: 0.506270060890028
Energy: 0.5082849595902847
Energy: 0.5178618847599001
Energy: 0.4346216321763754
Energy: 0.5074698443169177
Energy: 0.41398778901494315
Energy: 0.4911768482147738
Energy: 0.4587993497778141
Energy: 0.41401155045358534
Energy: 0.49191928611193425
Energy: 0.4587035310166555
Energy: 0.416678431646203
Energy: 0.4962468607676927
Energy: 0.4946186608716213
Energy: 0.4172677194998289
Energy: 0.49574450531306746
Energy: 0.45813388920335396
Energy: 0.5527936573609391
Energy: 0.4960487693411666
Energy: 0.4941786061175995
Energy: 0.5212273958518369
Energy: 0.49869486455835965
Energy: 0.49284486961219687
Energy: 0.4339939207479801
Energy: 0.41546380574474856
Energy: 0.41382466470476476
Energy: 0.434144582492697
Energy: 0.4156278302277859
Energy: 0.4141361481953465
Energy: 0.5905921975855754
Energy: 0.45722711206082006
Energy: 0.4573069371133049
Energy: 0.4589017986672096
Energy: 0.413576341478976
Energy: 0.45704897607814055
Energy: 0.43859601604203996
Energy: 0.5070106133584561
Energy: 0.5068513925028235
Energy: 0.43481654115742496
Energy: 0.507807696011193
Energy: 0.5065012464743164
Energy: 0.4347109723914345
Energy: 0.4566264314030449
Energy: 0.4341941957693381
Energy: 0.43480778965888073
Energy: 0.45721258270175397
Energy: 0.4345333607464244
Energy: 0.5361936124085758
Energy: 0.48569114213085646
Energy: 0.4354910712759991
Energy: 0.5369869403580394
Energy: 0.487620883975751
Energy: 0.4349841550240994
Energy: 0.4736273672827465
Energy: 0.48899163215877045
Energy: 0.4883299546502108
Energy: 0.46530801009319167
Energy: 0.48913209020566545
Energy: 0.4881883193366745
Energy: 0.4882103494867854
Energy: 0.5653003710582503
Energy: 0.4342832161571376
Energy: 0.4345077921098473
Energy: 0.565540469443909
Energy: 0.43514309377158106
Energy: 0.534346056594012
Energy: 0.4883006399378077
Energy: 0.48822291349996055
Energy: 0.5340099329144138
Energy: 0.5225701310056401
Energy: 0.4634750541211821
Energy: 0.5360257926749167
Energy: 0.4341023641388463
Energy: 0.4916906197697772
Energy: 0.534269328789872
Energy: 0.4339268725588608
Energy: 0.5189526625834696
Energy: 0.565177034626762
Energy: 0.4668978880824189
Energy: 0.48738191630459554
Energy: 0.5661609870063847
Energy: 0.5200690388558462
Energy: 0.4883044813974789
Energy: 0.47935179926459215
Energy: 0.5199189443240596
Energy: 0.48845339642396474
Energy: 0.4799394246060786
Energy: 0.5209384928922747
Energy: 0.524527032841679

minimum gb energy = 0.413576341478976 eV
minimum distance =  2.59620281037522 Angstroms
sigma value = 57


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

Energy: 0.6202118641281091
Energy: 0.6341998615814781
Energy: 0.45669447032026844
Energy: 0.421607873752459
Energy: 0.6344165637773662
Energy: 0.45568314251808656
Energy: 0.5361353094962364
Energy: 0.4755625842238526
Energy: 0.4765943468716674
Energy: 0.4782250936193962
Energy: 0.47362642825552115
Energy: 0.4719974865053971
Energy: 0.5368069051660155
Energy: 0.4066631430556372
Energy: 0.4068833530523757
Energy: 0.5373683373510711
Energy: 0.40695061175842867
Energy: 0.43854879054569645
Energy: 0.47479559354980794
Energy: 0.4072824067219981
Energy: 0.4387387629738069
Energy: 0.4754514157875679
Energy: 0.48024085669931266
Energy: 0.4384586639468238
Energy: 0.4462287454922522
Energy: 0.4682122939660919
Energy: 0.4699648729907245
Energy: 0.48774335392745494
Energy: 0.498379709417015
Energy: 0.4715355742287742
Energy: 0.5721671236984875
Energy: 0.42353298641772263
Energy: 0.40676062264757334
Energy: 0.46176314352265097
Energy: 0.4235138283589738
Energy: 0.40644790320577856
Energy: 0.5180819192746635
Energy: 0.42859035338450313
Energy: 0.42374266152588813
Energy: 0.5101283171262395
Energy: 0.4265683390451829
Energy: 0.4573035218180222
Energy: 0.5035741665592394
Energy: 0.46864492175485295
Energy: 0.46598520993268866
Energy: 0.5044061663160422
Energy: 0.4648982675919341
Energy: 0.4453356667603321
Energy: 0.3996725728132624
Energy: 0.47576278666970595
Energy: 0.3982399204329032
Energy: 0.40070628927313245
Energy: 0.5171953330089426
Energy: 0.39807172101658844
Energy: 0.398525034751088
Energy: 0.4729674070063665
Energy: 0.4679637006162069
Energy: 0.39854671358577437
Energy: 0.4684163863264818
Energy: 0.46963121552975634
Energy: 0.5359897785592537
Energy: 0.3862014981473265
Energy: 0.4630728161441582
Energy: 0.459915450136149
Energy: 0.3945369307064188
Energy: 0.463263848338433
Energy: 0.5126706095099867
Energy: 0.3905473465140815
Energy: 0.3860345470711584
Energy: 0.5132094555093404
Energy: 0.39058028276351825
Energy: 0.46021428992984553
Energy: 0.4542087095233711
Energy: 0.4582165176331454
Energy: 0.45394953461377036
Energy: 0.46216229234540107
Energy: 0.46206856672183727
Energy: 0.4561690404168356
Energy: 0.38622153799288117
Energy: 0.46257092920538295
Energy: 0.3859506103421815
Energy: 0.38730201735252917
Energy: 0.5130589738914816
Energy: 0.3858522147269148
Energy: 0.3862533798391457
Energy: 0.4619576529378985
Energy: 0.4617311094379765
Energy: 0.3862988058554209
Energy: 0.4626045749155666
Energy: 0.4607385663437478
Energy: 0.5058084483036385
Energy: 0.3985332464789035
Energy: 0.4687939934420845
Energy: 0.469658649396543
Energy: 0.4044212237215659
Energy: 0.4673004345172661
Energy: 0.40962396082356833
Energy: 0.4037969430536297
Energy: 0.3981395292341249
Energy: 0.46182523322696684
Energy: 0.4032127333615053
Energy: 0.4384246790527806
Energy: 0.4230663940262372
Energy: 0.4386498607248526
Energy: 0.439966639264031
Energy: 0.4229103859041989
Energy: 0.48317284900920787
Energy: 0.43808384946884693
Energy: 0.4235287262372003
Energy: 0.44521632973688974
Energy: 0.42358707520157196
Energy: 0.4244480659447267
Energy: 0.5132655692913406
Energy: 0.42338990185312597
Energy: 0.5125202524592707
Energy: 0.43789837708382573
Energy: 0.446272336274138
Energy: 0.5130221809916164
Energy: 0.4370205097589177
Energy: 0.4705605549554991
Energy: 0.5125061099135526
Energy: 0.47244261604749016
Energy: 0.4718943481345561
Energy: 0.5064928438693778
Energy: 0.4776710004334043
Energy: 0.4715643651858098
Energy: 0.478156467311314
Energy: 0.4720994027281841
Energy: 0.4489968470671661
Energy: 0.43872397853035977
Energy: 0.47736062872600704
Energy: 0.42325358824299736
Energy: 0.430960815994522
Energy: 0.5012416420979046
Energy: 0.47215255505522913
Energy: 0.4306527622170614
Energy: 0.5370894305695174
Energy: 0.4716823336144916
Energy: 0.509793049250192
Energy: 0.4277278841065143
Energy: 0.46743447228746604
Energy: 0.5107966377864879
Energy: 0.5128296122463456
Energy: 0.4719993011319328
Energy: 0.5391928415803867
Energy: 0.42308273912487304
Energy: 0.4233701793977841
Energy: 0.5399589723217841
Energy: 0.42344874087066686
Energy: 0.47181246238268665
Energy: 0.5398265419372748
Energy: 0.476924942394079
Energy: 0.4720144365580981
Energy: 0.5400108343952152
Energy: 0.4759398085884253
Energy: 0.4717926271570436
Energy: 0.4381475029563361
Energy: 0.500838418366442
Energy: 0.43896775266107335
Energy: 0.4069356277950699
Energy: 0.538360975202747
Energy: 0.4385075802880185

minimum gb energy = 0.3858522147269148 eV
minimum distance =  2.60919328336471 Angstroms
sigma value = 43


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

Energy: 0.5669049880771874
Energy: 0.519196665378812
Energy: 0.41878801959492984
Energy: 0.42869509698976
Energy: 0.5204202899908916
Energy: 0.39252006551395907
Energy: 0.47010714870393067
Energy: 0.42427072474764305
Energy: 0.42428404882155024
Energy: 0.4246579974591601
Energy: 0.42706996788007867
Energy: 0.42039011889620437
Energy: 0.47291455042338953
Energy: 0.41052745422387943
Energy: 0.3743987777711306
Energy: 0.47070465883974233
Energy: 0.41130689866482184
Energy: 0.37193268516840267
Energy: 0.42635765971502626
Energy: 0.37536357128539355
Energy: 0.3725232359589746
Energy: 0.42412813235942876
Energy: 0.44702471587208886
Energy: 0.39914871789858936
Energy: 0.4282708159623507
Energy: 0.3859606120770823
Energy: 0.38590789776852735
Energy: 0.42824956235876416
Energy: 0.414975196708757
Energy: 0.4124662305091406
Energy: 0.5311101803424929
Energy: 0.3860506169015406
Energy: 0.3723072086457332
Energy: 0.40120285370119513
Energy: 0.38593086298478535
Energy: 0.35278049820033414
Energy: 0.45165545638637566
Energy: 0.3860898999166874
Energy: 0.38587782060533504
Energy: 0.3936146755002208
Energy: 0.38867702004073007
Energy: 0.3861142530811596
Energy: 0.4454317907645011
Energy: 0.4008496086717291
Energy: 0.4100210777217031
Energy: 0.44536335689695905
Energy: 0.40069479900457994
Energy: 0.4100543449658932
Energy: 0.36377043779373863
Energy: 0.4102039242847854
Energy: 0.3626157544396863
Energy: 0.36448145763924295
Energy: 0.4466740710026558
Energy: 0.36268722833849293
Energy: 0.3528147061796362
Energy: 0.4047681378924435
Energy: 0.4165167494565611
Energy: 0.3626905445964134
Energy: 0.3780523880125553
Energy: 0.41834510121863344
Energy: 0.34110675532236123
Energy: 0.3466921520813674
Energy: 0.37938178588822896
Energy: 0.3955291489054354
Energy: 0.3466707240393232
Energy: 0.4012454418047123
Energy: 0.4435956384540968
Energy: 0.3466639638983684
Energy: 0.3467635593190508
Energy: 0.4239521689659034
Energy: 0.34677504248314134
Energy: 0.40735123639685916
Energy: 0.4385607256818465
Energy: 0.39552934767516157
Energy: 0.3976526108378467
Energy: 0.43925363628133174
Energy: 0.39536976827069836
Energy: 0.39859532945657955
Energy: 0.33696272553789247
Energy: 0.4255698287908029
Energy: 0.33658320478656223
Energy: 0.33783570822373965
Energy: 0.4392720627264031
Energy: 0.33667943020872315
Energy: 0.33639229164695955
Energy: 0.3917602039930788
Energy: 0.3961992697571635
Energy: 0.3364197275021354
Energy: 0.39896561920427726
Energy: 0.3991727699089178
Energy: 0.386135701626128
Energy: 0.3319650376838124
Energy: 0.33175827504140054
Energy: 0.3950319795029737
Energy: 0.3319523866068666
Energy: 0.3954937735164552
Energy: 0.4402757489340465
Energy: 0.3318270557525749
Energy: 0.3318221645879024
Energy: 0.3963168793950697
Energy: 0.3319584371652014
Energy: 0.3961185262292394
Energy: 0.4386108111024596
Energy: 0.387777286912509
Energy: 0.3901226337831339
Energy: 0.4395697265797338
Energy: 0.3919460258122715
Energy: 0.39489131266518007
Energy: 0.33181140232843964
Energy: 0.43644713835105414
Energy: 0.33212667330274737
Energy: 0.33294487250109633
Energy: 0.43867567100076504
Energy: 0.3318071455979831
Energy: 0.43700918017617046
Energy: 0.39303537575422387
Energy: 0.3869177213676388
Energy: 0.4379988353088157
Energy: 0.39350330025857994
Energy: 0.3989339802041986
Energy: 0.4405438400502995
Energy: 0.3367656072145999
Energy: 0.3366951899470955
Energy: 0.39547087435572337
Energy: 0.33670740281623324
Energy: 0.3989131811516311
Energy: 0.3871973950905289
Energy: 0.3368597447793476
Energy: 0.33642347536277334
Energy: 0.3991530585099856
Energy: 0.33689788971940693
Energy: 0.39918314142804645
Energy: 0.3464822788888655
Energy: 0.3978325091289987
Energy: 0.40325075692961015
Energy: 0.34651465482735333
Energy: 0.39934331848490506
Energy: 0.4029858013727799
Energy: 0.3469345467545969
Energy: 0.44380928746361914
Energy: 0.34672452757626865
Energy: 0.3478586565353697
Energy: 0.4439857757334512
Energy: 0.3468094777890753
Energy: 0.44195556848438144
Energy: 0.3983623322524289
Energy: 0.4063800291598129
Energy: 0.44281379351387
Energy: 0.3981051647627609
Energy: 0.4067973948571303
Energy: 0.452442213318115
Energy: 0.36266987944740514
Energy: 0.3626383195934686
Energy: 0.41250374645279503
Energy: 0.3628857824914226
Energy: 0.41878825786069335
Energy: 0.3467510614505512
Energy: 0.36272022974999185
Energy: 0.3627430748673766
Energy: 0.39843992790995914
Energy: 0.36274171625175866
Energy: 0.40538612344575825
Energy: 0.3857436659036329
Energy: 0.39330820312233966
Energy: 0.3982229115885238
Energy: 0.385741398636177
Energy: 0.40004041332918705
Energy: 0.39768821348414074
Energy: 0.38681764688180365
Energy: 0.41698257381835635
Energy: 0.3860294115302712
Energy: 0.38751243001368196
Energy: 0.4517218720037677
Energy: 0.3860376661533185
Energy: 0.4503586325073649
Energy: 0.4055539511818414
Energy: 0.39248890515133283
Energy: 0.45058253062025405
Energy: 0.40575808421758713
Energy: 0.39223706791869434
Energy: 0.4495962639641342
Energy: 0.42442323334605225
Energy: 0.42424970941814805
Energy: 0.38611531941587024
Energy: 0.42691787534874376
Energy: 0.4216503391876634
Energy: 0.5477403046748487
Energy: 0.4241715698227897
Energy: 0.40504694457851015
Energy: 0.4071995291443932
Energy: 0.4241598308507079
Energy: 0.36298780025238647
Energy: 0.4221642459697896
Energy: 0.4242374272871128
Energy: 0.4242135158130776
Energy: 0.4221642367334469
Energy: 0.4707346142238771
Energy: 0.42406108917709706
Energy: 0.4531330588595998
Energy: 0.38595845949339797
Energy: 0.3861023438745626
Energy: 0.4538024706753095
Energy: 0.4528994730096426
Energy: 0.42410502422504465
Energy: 0.4722540218381673
Energy: 0.36484173334531045
Energy: 0.38632800977151
Energy: 0.47137303075971976
Energy: 0.3634211486510647
Energy: 0.3861491414733704
Energy: 0.45428659366845847
Energy: 0.4241186991271304
Energy: 0.4241210263428102
Energy: 0.4431942853922744
Energy: 0.4455463230826459
Energy: 0.4240913341132261

minimum gb energy = 0.33175827504140054 eV
minimum distance =  2.5859916341553 Angstroms
sigma value = 81


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

Energy: 0.08327371821263874
Energy: 0.10540534592636003
Energy: 0.08374939549009068
Energy: 0.08468457003619478
Energy: 0.10550194045381121
Energy: 0.08343208922548327
Energy: 0.10698317634890944
Energy: 0.08351424031707878
Energy: 0.0837466307137405
Energy: 0.10670988143893928
Energy: 0.0855177529339766
Energy: 0.08365094481640939
Energy: 0.10547176970307696
Energy: 0.08344658045265224
Energy: 0.08360314601805365
Energy: 0.10548022494283465
Energy: 0.08375138879089035
Energy: 0.10586203584206597
Energy: 0.08468998721081741
Energy: 0.08351310650920056
Energy: 0.08356003089764089
Energy: 0.08579690268840051
Energy: 0.08345380342040197
Energy: 0.10630805953965722
Energy: 0.10597838214004363
Energy: 0.10534826118202409
Energy: 0.1054181706179706
Energy: 0.10658016283903636
Energy: 0.105293063990953
Energy: 0.10618589390317876
Energy: 0.08370781003063699
Energy: 0.0837878175742481
Energy: 0.08365060331718897
Energy: 0.08493769696598315
Energy: 0.08370702815292426
Energy: 0.08345777705938325
Energy: 0.10561883741738082
Energy: 0.08369684221513017
Energy: 0.08373868275922731
Energy: 0.10543436896095712
Energy: 0.08718014091869514
Energy: 0.08370132610693463
Energy: 0.10540167449220074
Energy: 0.08340614421779378
Energy: 0.08346177339480641
Energy: 0.10539784651084297
Energy: 0.08345814378249185
Energy: 0.10617242277120666
Energy: 0.08390555866816483
Energy: 0.08362151305215673
Energy: 0.10680061482169796
Energy: 0.0845884111652027
Energy: 0.08353501336203278
Energy: 0.10734623508662522
Energy: 0.08351919076563108
Energy: 0.10533396457897273
Energy: 0.10571866305390241
Energy: 0.08346130146882014
Energy: 0.10526717311025179
Energy: 0.10556043459411482

minimum gb energy = 0.08327371821263874 eV
minimum distance =  2.83266017598064 Angstroms
sigma value = 3


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

Energy: 0.49133140027151867
Energy: 0.4750682649806303
Energy: 0.4760362308192484
Energy: 0.4487019428996793
Energy: 0.4557499004767898
Energy: 0.44932436623419353
Energy: 0.46117162475646095
Energy: 0.452044008997525
Energy: 0.45184666038257454
Energy: 0.452594645003752
Energy: 0.452825881347187
Energy: 0.456454319265613
Energy: 0.4664399042558062
Energy: 0.4423020498042054
Energy: 0.442262048122807
Energy: 0.4659959000637949
Energy: 0.4325926166422166
Energy: 0.45577921344672195
Energy: 0.43283568498338054
Energy: 0.4418215513265254
Energy: 0.442131839167606
Energy: 0.433764159100884
Energy: 0.39481061918035965
Energy: 0.4558495624792742
Energy: 0.39501314999480286
Energy: 0.452140139633764
Energy: 0.4565341741827446
Energy: 0.3950265782422548
Energy: 0.4526340877035052
Energy: 0.45602427925286515
Energy: 0.42921533664178946
Energy: 0.4586950908604864
Energy: 0.4431536029788992
Energy: 0.4250898550891757
Energy: 0.44813017928203935
Energy: 0.42388486431123845
Energy: 0.42830727428720533
Energy: 0.3957014567621899
Energy: 0.4321921112444527
Energy: 0.42717240414510593
Energy: 0.39705367670430025
Energy: 0.45881560265110005
Energy: 0.4329394988201455
Energy: 0.4240709061609678
Energy: 0.42378382032958417
Energy: 0.43291940306005966
Energy: 0.4127672838532576
Energy: 0.4064574646197217
Energy: 0.42704988613224065
Energy: 0.4232602930287866
Energy: 0.44312810713275275
Energy: 0.4342576167589282
Energy: 0.372386721300885
Energy: 0.443273916555514
Energy: 0.37252630851230434
Energy: 0.3957461089015275
Energy: 0.3956723142151599
Energy: 0.37260234456576113
Energy: 0.3971947963437983
Energy: 0.40665191585719646
Energy: 0.4146559033669817
Energy: 0.4246942077970907
Energy: 0.42421248596559985
Energy: 0.413678657645167
Energy: 0.41537543923286013
Energy: 0.4130169888022409
Energy: 0.37355113247379174
Energy: 0.42353744938950905
Energy: 0.42448782608725555
Energy: 0.37321804704195954
Energy: 0.4167057367036454
Energy: 0.3729181270939938
Energy: 0.3717621540689153
Energy: 0.4072088836367301
Energy: 0.41360480270407707
Energy: 0.3719061984304951
Energy: 0.40735035880191117
Energy: 0.3716730053727694
Energy: 0.4112092684639083
Energy: 0.4196824596992271
Energy: 0.41248940549226515
Energy: 0.41289294938114685
Energy: 0.42024186919784734
Energy: 0.4135240674051261
Energy: 0.40931567024857085
Energy: 0.3578620957011481
Energy: 0.35763628176158235
Energy: 0.4069511884978575
Energy: 0.35901874864966804
Energy: 0.35750803265528125
Energy: 0.40694774403485023
Energy: 0.409058492198863
Energy: 0.40856455606732583
Energy: 0.40673021429701595
Energy: 0.40608811563001573
Energy: 0.40920684633328336
Energy: 0.3509835994866875
Energy: 0.40734724297857144
Energy: 0.40641004995970137
Energy: 0.3509344248644412
Energy: 0.4079240558840783
Energy: 0.3508615815313481
Energy: 0.35085376596350665
Energy: 0.4053731220482719
Energy: 0.40801611912009234
Energy: 0.35090330065348085
Energy: 0.4053210340697707
Energy: 0.4175316925719617
Energy: 0.4196718727041131
Energy: 0.4169174342216323
Energy: 0.4060516059292692
Energy: 0.40531791676772233
Energy: 0.4185280658226718
Energy: 0.40759894710324074
Energy: 0.4031449220122648
Energy: 0.350957134794479
Energy: 0.3508887705566768
Energy: 0.4041754959738748
Energy: 0.35297783422123097
Energy: 0.3506673969475667
Energy: 0.406090809357178
Energy: 0.4065801983205598
Energy: 0.408586901654985
Energy: 0.4062541827268035
Energy: 0.4070312710967803
Energy: 0.40715384726301584
Energy: 0.35893884355491673
Energy: 0.40691516986450094
Energy: 0.40790441669363764
Energy: 0.3597331028596523
Energy: 0.4068642736342698
Energy: 0.35764262038856537
Energy: 0.3588957428859462
Energy: 0.41355165028902585
Energy: 0.41384478208671766
Energy: 0.3589639619108395
Energy: 0.4122427580026448
Energy: 0.41239490470885876
Energy: 0.40944817225452507
Energy: 0.37219504136042925
Energy: 0.37202595009957684
Energy: 0.4091473106777738
Energy: 0.372099290096253
Energy: 0.4084790405473466
Energy: 0.417272667796354
Energy: 0.3721115099967437
Energy: 0.3723230975187218
Energy: 0.4175431461079221
Energy: 0.37221944363859205
Energy: 0.3725318295408538
Energy: 0.4163157349378052
Energy: 0.4164342658497228
Energy: 0.41644484807521853
Energy: 0.41635933376237927
Energy: 0.4163459333778164
Energy: 0.4240793317021835
Energy: 0.39588883449584644
Energy: 0.41582892474274247
Energy: 0.41632142112247783
Energy: 0.39667008470273996
Energy: 0.4219229368767041
Energy: 0.39551371204095376
Energy: 0.3816224605728952
Energy: 0.43414433668356933
Energy: 0.43356032466116934
Energy: 0.3816734241898458
Energy: 0.40125039331403234
Energy: 0.4330744073410595
Energy: 0.41963406312915363
Energy: 0.43267473653762556
Energy: 0.4215330052100561
Energy: 0.4174001495366858
Energy: 0.43261966499710425
Energy: 0.4163754504096949
Energy: 0.39645515590306235
Energy: 0.4254254501287839
Energy: 0.422873316060908
Energy: 0.3970149782431384
Energy: 0.42804751293952226
Energy: 0.42259893716342817
Energy: 0.4235161748667728
Energy: 0.43037362600755175
Energy: 0.43000221743573436
Energy: 0.4235661371719579
Energy: 0.41649870975346204
Energy: 0.4300607787525222
Energy: 0.46691961176789026
Energy: 0.4297148464858248
Energy: 0.45399906176349847
Energy: 0.4669965071347808
Energy: 0.410620092694094
Energy: 0.45654532623456323
Energy: 0.4085028846254051
Energy: 0.43277226481471104
Energy: 0.43241117047393585
Energy: 0.4084503197242392
Energy: 0.434181519288912
Energy: 0.4555321437764161

minimum gb energy = 0.3506673969475667 eV
minimum distance =  2.66471548040037 Angstroms
sigma value = 67


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

Energy: 0.5184788375438178
Energy: 0.5503638822371582
Energy: 0.5281157009323527
Energy: 0.5188196601908023
Energy: 0.6651819105817877
Energy: 0.5302101974354514
Energy: 0.5303616625012664
Energy: 0.5237259490826766
Energy: 0.5167558607675959
Energy: 0.5304360686679538
Energy: 0.5193008207738286
Energy: 0.5222833943102244
Energy: 0.5337057737931673
Energy: 0.5014691469289997
Energy: 0.5211038603897463
Energy: 0.5324100068085418
Energy: 0.514307882135951
Energy: 0.5216643693441574
Energy: 0.47829043734259447
Energy: 0.5212733610809364
Energy: 0.5210651143132288
Energy: 0.4789257100853376
Energy: 0.4820188480816162
Energy: 0.5219051070499139
Energy: 0.47842453562824194
Energy: 0.5209194779308832
Energy: 0.5260276381976627
Energy: 0.4789908619679948
Energy: 0.5395611309757878
Energy: 0.5220529225036388
Energy: 0.4841996445707706
Energy: 0.5340566976388941
Energy: 0.5006303739934317
Energy: 0.501085974000379
Energy: 0.5361774749975524
Energy: 0.5017588310385046
Energy: 0.47917735943976963
Energy: 0.4757035772847154
Energy: 0.4858297734816895
Energy: 0.4795560710124256
Energy: 0.43944204551186017
Energy: 0.4840088304018927
Energy: 0.4814406033960721
Energy: 0.482127143745554
Energy: 0.4859215354558893
Energy: 0.4816667454122838
Energy: 0.48159540911309845
Energy: 0.48329387190578293
Energy: 0.4862118882813885
Energy: 0.5014715682964325
Energy: 0.5053621004834746
Energy: 0.4941886846768189
Energy: 0.4358642576162133
Energy: 0.5039182822833852
Energy: 0.4863217193041872
Energy: 0.43837415548680403
Energy: 0.43559948092270845
Energy: 0.4870392102130567
Energy: 0.43699345961487784
Energy: 0.4352305317629004
Energy: 0.4849162311348479
Energy: 0.4856790315754893
Energy: 0.48482045813436503
Energy: 0.4821923974215243
Energy: 0.4916472381190506
Energy: 0.48576243751149806
Energy: 0.41603365178303076
Energy: 0.4842076553449443
Energy: 0.48317635632834666
Energy: 0.41606634795677827
Energy: 0.4795152976773202
Energy: 0.4161881536133064
Energy: 0.41998661318056396
Energy: 0.4801794625462347
Energy: 0.4790053966723408
Energy: 0.4163631270806585
Energy: 0.47668940301905177
Energy: 0.41610056325185374
Energy: 0.4715486713603106
Energy: 0.48597930086790486
Energy: 0.4777844242079953
Energy: 0.47657614840784446
Energy: 0.48386533796205516
Energy: 0.4787461914907483
Energy: 0.4720940896474118
Energy: 0.4188460572129814
Energy: 0.4160581794537979
Energy: 0.4725921407708992
Energy: 0.4179346845355425
Energy: 0.4161016816972668
Energy: 0.47211650325378113
Energy: 0.48683692308781457
Energy: 0.484360170765972
Energy: 0.4850732662934772
Energy: 0.4525633957550214
Energy: 0.4831731977686144
Energy: 0.4379467663940933
Energy: 0.480035909682429
Energy: 0.4779214348762645
Energy: 0.43833191407064476
Energy: 0.47559411614818425
Energy: 0.43558227486611256
Energy: 0.4369366332081896
Energy: 0.49384767297591575
Energy: 0.5031082671235424
Energy: 0.4368476153690408
Energy: 0.45382484442861165
Energy: 0.4767200981448198
Energy: 0.4755357756469033
Energy: 0.5122899245629638
Energy: 0.4872434880261116
Energy: 0.4872354354997499
Energy: 0.5153120694043632
Energy: 0.48731148038273864
Energy: 0.4755274204253267
Energy: 0.48119793255332644
Energy: 0.48550720141251075
Energy: 0.4750774302305071
Energy: 0.4824360406979743
Energy: 0.4838577921287199
Energy: 0.47290457277331127
Energy: 0.5133347222828503
Energy: 0.5135166481274616
Energy: 0.47340219902234565
Energy: 0.45941265813088705
Energy: 0.51876624916178
Energy: 0.5333853970940539
Energy: 0.4867430954945907
Energy: 0.5135097766260727
Energy: 0.5322865030405436
Energy: 0.4992384613285388
Energy: 0.5135443594775753
Energy: 0.5065065176812236
Energy: 0.4795412644217541
Energy: 0.4840375835746769
Energy: 0.505146412904541
Energy: 0.48139368661227416
Energy: 0.5226849458862755

minimum gb energy = 0.41603365178303076 eV
minimum distance =  2.61130985120549 Angstroms
sigma value = 33


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

Energy: 0.6630469708395688
Energy: 0.6268077625004203
Energy: 0.6115404552099825
Energy: 0.6653819846984875
Energy: 0.6030004947765922
Energy: 0.5573404560770895
Energy: 0.558913038854887
Energy: 0.5447733156013799
Energy: 0.5445441620669944
Energy: 0.5589472516452466
Energy: 0.5608003309832982
Energy: 0.5454106760388893
Energy: 0.5602170525970672
Energy: 0.5520207159250294
Energy: 0.5520149522409766
Energy: 0.5607534940086084
Energy: 0.5473944214739987
Energy: 0.5435549653681255
Energy: 0.49469506017798986
Energy: 0.5522255437549584
Energy: 0.5521104505836887
Energy: 0.4950001348233536
Energy: 0.4977568737660239
Energy: 0.5521072993266758
Energy: 0.4948889852250538
Energy: 0.5455058715906098
Energy: 0.5448907474482703
Energy: 0.49489211459262983
Energy: 0.5601388192426375
Energy: 0.5540115653913953
Energy: 0.5447780450987714
Energy: 0.5727352241047398
Energy: 0.5676582738628273
Energy: 0.549203203950227
Energy: 0.5877698442576053
Energy: 0.5297141888349557
Energy: 0.49492992328441465
Energy: 0.5076797761679142
Energy: 0.554235712764743
Energy: 0.49507778375831923
Energy: 0.49804424080117465
Energy: 0.49107796887929617
Energy: 0.49592009155985733
Energy: 0.5302145651878938
Energy: 0.5299079602478832
Energy: 0.4951674346737934
Energy: 0.529863582889731
Energy: 0.4944228779425836
Energy: 0.5156533451081663
Energy: 0.5298650595124725
Energy: 0.5324748669104221
Energy: 0.5264567630597612
Energy: 0.45494883004168174
Energy: 0.529990470410055
Energy: 0.5139387250833048
Energy: 0.45542782494056805
Energy: 0.4556035167177983
Energy: 0.514879950045639
Energy: 0.45581300919811174
Energy: 0.45522257964979745
Energy: 0.5146114658252211
Energy: 0.5185173240182787
Energy: 0.5196551340903034
Energy: 0.5174164801672877
Energy: 0.5163152130497802
Energy: 0.5190956440033181
Energy: 0.4553227962643373
Energy: 0.5176686415991882
Energy: 0.5209265590498106
Energy: 0.4553463091296317
Energy: 0.5148881712276231
Energy: 0.45526424014209294
Energy: 0.4553793104155889
Energy: 0.5313980548043816
Energy: 0.5331146375507472
Energy: 0.4553950874923754
Energy: 0.5145626953146648
Energy: 0.45501255786800565
Energy: 0.5190452780319905
Energy: 0.5332652703236473
Energy: 0.5305034919764013
Energy: 0.5235759689638979
Energy: 0.5359973711730633
Energy: 0.5165134604984245
Energy: 0.5175112246465791
Energy: 0.4951009635490957
Energy: 0.4940560481856254
Energy: 0.48835266989126985
Energy: 0.4954591509363395
Energy: 0.5036041321644619
Energy: 0.4932478962220561
Energy: 0.5406628520277111
Energy: 0.5405885396551102
Energy: 0.5040741036171839
Energy: 0.4634836780997946
Energy: 0.5529361841400927
Energy: 0.5587508751665484
Energy: 0.5405917327917665
Energy: 0.5405604638388298
Energy: 0.5587528731272584
Energy: 0.5402140028873424
Energy: 0.5337979192051234
Energy: 0.5591789530288427
Energy: 0.4950360067741143
Energy: 0.5447357774367987
Energy: 0.558958818935548
Energy: 0.4948863467004731
Energy: 0.541684897980006
Energy: 0.5683310778023262
Energy: 0.5018380796866627
Energy: 0.590993458056508
Energy: 0.5684965657674845
Energy: 0.5744598772142206
Energy: 0.5331839672330769
Energy: 0.523565139898928
Energy: 0.5457827527783549
Energy: 0.5447757835029449
Energy: 0.5237203764034558
Energy: 0.5602024935565106
Energy: 0.5449431674800952
Energy: 0.5590686215828969
Energy: 0.5522027102213284
Energy: 0.5519932787809712
Energy: 0.5596989827625605
Energy: 0.4976837620473712
Energy: 0.5451897082444946
Energy: 0.4947639427432668
Energy: 0.5521224965721847
Energy: 0.5522099204232135
Energy: 0.495271092236375
Energy: 0.5475547388638486
Energy: 0.5520667608701894
Energy: 0.49472818539850505
Energy: 0.5450960198319466
Energy: 0.5400987232271061
Energy: 0.4948508419575486
Energy: 0.5607245488409528
Energy: 0.5538399295198722
Energy: 0.5443875332553115
Energy: 0.5865444363951255
Energy: 0.5677895090133585
Energy: 0.5445922872021527
Energy: 0.586268870062727
Energy: 0.5226143184107033
Energy: 0.4953723270685102
Energy: 0.5062520391507846
Energy: 0.5534719728138537
Energy: 0.49448551124966283
Energy: 0.49798465731170577
Energy: 0.5546700642605626
Energy: 0.4945578030069439
Energy: 0.5302654031111855
Energy: 0.5300615368038839
Energy: 0.4952569159161278
Energy: 0.5299996171927445
Energy: 0.4944012207731963
Energy: 0.5148301984069917
Energy: 0.5304895340879829
Energy: 0.532474484864621
Energy: 0.537719106374096
Energy: 0.45511541763586316
Energy: 0.5302621784528915
Energy: 0.5140140772314395
Energy: 0.4554860618618465
Energy: 0.45545785894640106
Energy: 0.5150603215188749
Energy: 0.45635896318459795
Energy: 0.4551617213686524
Energy: 0.5149539122038391
Energy: 0.48898137118917884
Energy: 0.5179699786840076
Energy: 0.517866212357514
Energy: 0.5152918699615531
Energy: 0.5212461449230924
Energy: 0.45511991130958024
Energy: 0.5180173595304242
Energy: 0.5178126535632922
Energy: 0.45516143037833884
Energy: 0.5155010356772267
Energy: 0.45473182594348716
Energy: 0.4553038454315222
Energy: 0.5223423613117971
Energy: 0.49587904281509665
Energy: 0.4553167733608931
Energy: 0.4871863948519605
Energy: 0.45514299814789944
Energy: 0.5202910956748498
Energy: 0.5327448417598791
Energy: 0.5323276019221254
Energy: 0.4881108759240166
Energy: 0.5358361416987566
Energy: 0.519512168429144
Energy: 0.4872743035596061
Energy: 0.49493292469399697
Energy: 0.49471552605913033
Energy: 0.4878566143987503
Energy: 0.4952781504578947
Energy: 0.5036173121695572
Energy: 0.4994749010827898
Energy: 0.46328824608758457
Energy: 0.552888579527233
Energy: 0.49985406114869846
Energy: 0.46344806569456803
Energy: 0.5534412794928895
Energy: 0.5586842705045137
Energy: 0.5404403455744192
Energy: 0.5406134323237167
Energy: 0.5586394529307159
Energy: 0.5236196185231318
Energy: 0.5337087229677328
Energy: 0.5603036390179857
Energy: 0.49448106454126683
Energy: 0.49512650355468646
Energy: 0.5599694055911681
Energy: 0.4944612517921087
Energy: 0.5402686813800865
Energy: 0.5682367988708743
Energy: 0.5587950553192771
Energy: 0.5779063698696522
Energy: 0.5624798814817293
Energy: 0.5485302495902699
Energy: 0.5333154408048437

minimum gb energy = 0.45473182594348716 eV
minimum distance =  2.5828858691717 Angstroms
sigma value = 41


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

Energy: 0.6314334992799091
Energy: 0.6091379884153391
Energy: 0.6446526548966662
Energy: 0.633016720908985
Energy: 0.6093096155253225
Energy: 0.6455713024605846
Energy: 0.5837591929757177
Energy: 0.5673151434818194
Energy: 0.5663667437445471
Energy: 0.5837376882393077
Energy: 0.5852992498322387
Energy: 0.5665763093397036
Energy: 0.5832622492353258
Energy: 0.585631035453276
Energy: 0.5863778896598852
Energy: 0.5836612384414813
Energy: 0.5645943959790108
Energy: 0.5651439689885129
Energy: 0.5122096960598392
Energy: 0.5853924464634993
Energy: 0.5863878124311672
Energy: 0.5125017067815174
Energy: 0.5106262068954102
Energy: 0.5668381952248002
Energy: 0.511890230926917
Energy: 0.5863198302406555
Energy: 0.5668131378001541
Energy: 0.5117852859980775
Energy: 0.5832697151904691
Energy: 0.5882310697323415
Energy: 0.5791826374139909
Energy: 0.6015202691428295
Energy: 0.6039816658106029
Energy: 0.5785093449418692
Energy: 0.6213294284138231
Energy: 0.6038341560634171
Energy: 0.5118387356637117
Energy: 0.587839144681672
Energy: 0.5873736958037885
Energy: 0.5120020776654591
Energy: 0.585699072500789
Energy: 0.5121259665669601
Energy: 0.5134105501860233
Energy: 0.5749528516603878
Energy: 0.5336928112674083
Energy: 0.5141450202522457
Energy: 0.5810406096879652
Energy: 0.5122615637137812
Energy: 0.5623124105416073
Energy: 0.5831607230785394
Energy: 0.5743156921688329
Energy: 0.5630298556631202
Energy: 0.5338015600292396
Energy: 0.5739335632375842
Energy: 0.5365153004691101
Energy: 0.5149259738420043
Energy: 0.5125774161055262
Energy: 0.5359280383976237
Energy: 0.5124026975167892
Energy: 0.536323936310872
Energy: 0.5291837179305647
Energy: 0.5154951473526715
Energy: 0.5869914353231757
Energy: 0.5296952220048939
Energy: 0.4886422219046338
Energy: 0.5865892643923314
Energy: 0.5829708290508345
Energy: 0.5719289540255303
Energy: 0.5551783699122568
Energy: 0.5829386531901123
Energy: 0.5875728426348564
Energy: 0.5556798919422347
Energy: 0.5866047039260116
Energy: 0.5663641582573982
Energy: 0.5661154756334023
Energy: 0.5864328239622159
Energy: 0.5671879335836542
Energy: 0.5670969059113661
Energy: 0.590651896393598
Energy: 0.5823067896491072
Energy: 0.6287310446168123
Energy: 0.5912281104138286
Energy: 0.565775437245123
Energy: 0.6298978607908863

minimum gb energy = 0.4886422219046338 eV
minimum distance =  2.60348246854349 Angstroms
sigma value = 11


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

Energy: 0.7931018351462138
Energy: 0.6329813980491901
Energy: 0.581287290252089
Energy: 0.7943112141907508
Energy: 0.6314822608392129
Energy: 0.5794394812097026
Energy: 0.6068266786189112
Energy: 0.5425997444147878
Energy: 0.54058028174899
Energy: 0.6069432622306347
Energy: 0.5427200908487667
Energy: 0.5567590436175311
Energy: 0.6062564203105631
Energy: 0.5566088006271472
Energy: 0.5555716234273635
Energy: 0.6070164009528917
Energy: 0.5399926753753067
Energy: 0.6139348922339891
Energy: 0.573272761300744
Energy: 0.5439278372772246
Energy: 0.5565596346508807
Energy: 0.5739874738865598
Energy: 0.5281758998864623
Energy: 0.5904973343894183
Energy: 0.5779726658307415
Energy: 0.5426886579331589
Energy: 0.5424384268485418
Energy: 0.5776260789964826
Energy: 0.5428940322556145
Energy: 0.5561893617133553
Energy: 0.613554140310139
Energy: 0.5695691036177697
Energy: 0.5583911078620206
Energy: 0.5775561814523477
Energy: 0.5690326026576975
Energy: 0.6071014132569453
Energy: 0.5691677178869994
Energy: 0.5848937900588441
Energy: 0.5978774098713708
Energy: 0.569162411939532
Energy: 0.5808460936880778
Energy: 0.5694153544728853
Energy: 0.5427235250042973
Energy: 0.5781633243723667
Energy: 0.5736392679826935
Energy: 0.5427827760682875
Energy: 0.5780650703120604
Energy: 0.5426041331806335
Energy: 0.5372317811744246
Energy: 0.6067775727377633
Energy: 0.5976291509788559
Energy: 0.5373083077172586
Energy: 0.5727402318925683
Energy: 0.5300584997437902
Energy: 0.5471687277559552
Energy: 0.605912957835149
Energy: 0.6063540318590863
Energy: 0.5472531750519833
Energy: 0.6073509142209628
Energy: 0.5302604738350098
Energy: 0.5430820700540201
Energy: 0.571021099986559
Energy: 0.5566875182397263
Energy: 0.5429064922572523
Energy: 0.5703619663682038
Energy: 0.542627741554519
Energy: 0.5522968022083794
Energy: 0.5554896764996559
Energy: 0.5703612156931697
Energy: 0.5510192091417085
Energy: 0.7552931608275707
Energy: 0.5933338959367678
Energy: 0.5405811360064002
Energy: 0.581573252428333
Energy: 0.5888254964658917
Energy: 0.5406808768963564
Energy: 0.6071491620038714
Energy: 0.5564533756114532
Energy: 0.5549674904006269
Energy: 0.605996780169501
Energy: 0.6063451906803669
Energy: 0.5582934267975521
Energy: 0.6060153062119227
Energy: 0.5731862272635637
Energy: 0.5287372068944761
Energy: 0.5742498868425845
Energy: 0.5741535831631045
Energy: 0.5287940897624455
Energy: 0.5780034494756897
Energy: 0.5720754940198091
Energy: 0.529609133963714
Energy: 0.589738920002613
Energy: 0.5717917998808111
Energy: 0.5296972311482675
Energy: 0.5792029774904576
Energy: 0.5286391041202976
Energy: 0.5292155015257924
Energy: 0.5788115443531733
Energy: 0.6099571418120061
Energy: 0.5290500989831711
Energy: 0.5817674812041715
Energy: 0.6099208337334197
Energy: 0.6488553593044575
Energy: 0.570909169964788
Energy: 0.5709154834705735
Energy: 0.6494934862440996
Energy: 0.5520918639534355
Energy: 0.5622334790087642
Energy: 0.5607162907168695
Energy: 0.5708501076623999
Energy: 0.5569498498536856
Energy: 0.5606660444540957
Energy: 0.5715317721127792
Energy: 0.5888660609364686
Energy: 0.5751686265511095
Energy: 0.5291635109929093
Energy: 0.5504870906759756
Energy: 0.5755394803535079
Energy: 0.5434672002083084
Energy: 0.587535877842997
Energy: 0.5709211016908898
Energy: 0.5295749577888182
Energy: 0.5625908002722965
Energy: 0.5716498963754079
Energy: 0.5294573447382164
Energy: 0.5713131155260928
Energy: 0.54158116657176
Energy: 0.5710354310172107
Energy: 0.570848634531243
Energy: 0.5415927828434907
Energy: 0.5725703058257887
Energy: 0.5585569440179734
Energy: 0.5401036070334417
Energy: 0.5712492871703517
Energy: 0.6053654872999226
Energy: 0.5399509645646917
Energy: 0.5759079617014281
Energy: 0.5723488485577415
Energy: 0.5708727711861495
Energy: 0.5567931308204015
Energy: 0.5847682035487695
Energy: 0.5711241941483808
Energy: 0.5565121475568421
Energy: 0.5831060598184835
Energy: 0.5710232957540995
Energy: 0.5816785565061211
Energy: 0.5640139226471371
Energy: 0.5710486246466415
Energy: 0.5735001186778702
Energy: 0.5627153595884217
Energy: 0.5786714830371479
Energy: 0.529254383991559
Energy: 0.6101320056747596
Energy: 0.5798192801627503
Energy: 0.5291950496234483
Energy: 0.6100198573358165
Energy: 0.5782477220436538
Energy: 0.5290614775074286
Energy: 0.5288109302556976
Energy: 0.5781748503334322
Energy: 0.5304415412705794
Energy: 0.5290007626844715
Energy: 0.5781177730135566
Energy: 0.5291132023701489
Energy: 0.5787905663074941
Energy: 0.5792400494272748
Energy: 0.5287471664293933
Energy: 0.572993452475459
Energy: 0.6058979951611966
Energy: 0.5817887943036468
Energy: 0.5774925249200461
Energy: 0.6060767743023295
Energy: 0.5680257454226478
Energy: 0.5769014424315065
Energy: 0.6065501659902386
Energy: 0.5406723753218785
Energy: 0.5563943069400138
Energy: 0.6067436796286133
Energy: 0.5407775300223895
Energy: 0.58755252687868
Energy: 0.5301861931661962
Energy: 0.5426347883555858
Energy: 0.5865997297329816
Energy: 0.5299322459662074
Energy: 0.5511423414920064
Energy: 0.5940171017488138

minimum gb energy = 0.5281758998864623 eV
minimum distance =  2.5427568331279 Angstroms
sigma value = 57


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

Energy: 0.7317241729991514
Energy: 0.5107033429352682
Energy: 0.5145021061499444
Energy: 0.7328106690095523
Energy: 0.5104282266121616
Energy: 0.5152005581980709
Energy: 0.5341873411719235
Energy: 0.5343328925517151
Energy: 0.5113166580477797
Energy: 0.534251539792548
Energy: 0.5341041806887616
Energy: 0.5101704857289598
Energy: 0.534115463106241
Energy: 0.5075539787428459
Energy: 0.5280561777122108
Energy: 0.5348303708863543
Energy: 0.51572331212033
Energy: 0.5113121637261444
Energy: 0.5108973524987358
Energy: 0.5114725283337561
Energy: 0.5146110639504442
Energy: 0.5116114180754843
Energy: 0.5160589999369902
Energy: 0.5116581833383971
Energy: 0.5213428167153913
Energy: 0.5336573805658436
Energy: 0.5115902799123802
Energy: 0.5205113354082842
Energy: 0.53572392132033
Energy: 0.5107648078821043
Energy: 0.5203972267132164
Energy: 0.5230344436190005
Energy: 0.5211529210865395
Energy: 0.5202424981203838
Energy: 0.5229364386985667
Energy: 0.536507926988358
Energy: 0.5124495124134233
Energy: 0.5142228438005321
Energy: 0.5202289113943033
Energy: 0.510780946825293
Energy: 0.5142013090115518
Energy: 0.5117202074964157
Energy: 0.5358449739355775
Energy: 0.5200603279191353
Energy: 0.5107091696613903
Energy: 0.5367453510846111
Energy: 0.521455639636473
Energy: 0.5110158339724841
Energy: 0.4985274291516931
Energy: 0.5115465913217815
Energy: 0.5142621167500815
Energy: 0.498503338898572
Energy: 0.5137710036442843
Energy: 0.5141568776902924
Energy: 0.4983605243747075
Energy: 0.5343117172572246
Energy: 0.5141788825917738
Energy: 0.4983111686912986
Energy: 0.5353237582119216
Energy: 0.5141874545074829
Energy: 0.5356425623715066
Energy: 0.5213886697234594
Energy: 0.5144437364105242
Energy: 0.5365142631162705
Energy: 0.5339923289784854
Energy: 0.5109604878545942
Energy: 0.5115478843023111
Energy: 0.6247639895480874
Energy: 0.5376570677682329
Energy: 0.5120429034111549
Energy: 0.6240114038040816
Energy: 0.5113495053765471
Energy: 0.5145794664811343
Energy: 0.5344760995447948
Energy: 0.5109748068063007
Energy: 0.5102000865943425
Energy: 0.5337768750011821
Energy: 0.5108525884248554
Energy: 0.6288776210941849
Energy: 0.5346362607834514
Energy: 0.5349094040043886
Energy: 0.6299009759908187
Energy: 0.5355152957001579
Energy: 0.512602538841797
Energy: 0.521253622918252
Energy: 0.514094948374185
Energy: 0.510744000654889
Energy: 0.5206021530581916
Energy: 0.5166654971370395
Energy: 0.53148439789236
Energy: 0.5341528684821478
Energy: 0.5143099850118239
Energy: 0.5136669036957454
Energy: 0.5349512251747923
Energy: 0.5165220189654719
Energy: 0.512326648221967
Energy: 0.4984416536811974
Energy: 0.5101667087305147
Energy: 0.5111855127196364
Energy: 0.49838103809533457
Energy: 0.5128980789690415
Energy: 0.5230064030734667

minimum gb energy = 0.4983111686912986 eV
minimum distance =  2.60135551307098 Angstroms
sigma value = 9


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

Energy: 0.8431657688608999
Energy: 0.8932454520161638
Energy: 0.5708179166898528
Energy: 0.5683950356646131
Energy: 0.5804066507398062
Energy: 0.5691686211442779
Energy: 0.5868238051565484
Energy: 0.5722384397804938
Energy: 0.575806949257912
Energy: 0.5868443151578202
Energy: 0.570220718721754
Energy: 0.5638216828187361
Energy: 0.5899946171084115
Energy: 0.5673699973966204
Energy: 0.5697150355323575
Energy: 0.5882684098279424
Energy: 0.6198030279032172
Energy: 0.5658480437230418
Energy: 0.5615595233117667
Energy: 0.5639190830047921
Energy: 0.5627690603907217
Energy: 0.5621434563017148
Energy: 0.5684845516243014
Energy: 0.562655495001185
Energy: 0.5733180032474064
Energy: 0.5682589468175412
Energy: 0.5626524413518962
Energy: 0.5722152906067015
Energy: 0.5692131177867328
Energy: 0.5697663910432549
Energy: 0.559838452603221
Energy: 0.5650197570291912
Energy: 0.5607301010992846
Energy: 0.5607882899485158
Energy: 0.5624075853449132
Energy: 0.5602280818838711
Energy: 0.5617041698844806
Energy: 0.6105163769645942
Energy: 0.5634359846476052
Energy: 0.5618925479358843
Energy: 0.662895186910671
Energy: 0.5612900361199409
Energy: 0.5598068909782601
Energy: 0.5631528702340951
Energy: 0.5608796886052411
Energy: 0.5607262093897174
Energy: 0.5514321417179233
Energy: 0.5610986084573389
Energy: 0.5677219884498877
Energy: 0.5599880286140965
Energy: 0.5659295790700438
Energy: 0.5678347118808457
Energy: 0.559804247148397
Energy: 0.5694639597413892
Energy: 0.5674062265568303
Energy: 0.5605964972613998
Energy: 0.5723592470749838
Energy: 0.5694422611202987
Energy: 0.5599462962486981
Energy: 0.5634329828811825
Energy: 0.5602459721456096
Energy: 0.5622728760648462
Energy: 0.5601467785026681
Energy: 0.5608202621152465
Energy: 0.5632294947333948
Energy: 0.5618371490491537
Energy: 0.569498057322844
Energy: 0.5733518143788239
Energy: 0.5709587113787461
Energy: 0.570465396365284
Energy: 0.57167062339024
Energy: 0.5763131514105768
Energy: 0.6649478001805254
Energy: 0.5597039975807101
Energy: 0.5635807716065377
Energy: 0.664957174133665
Energy: 0.5607297707837435
Energy: 0.5592839406178889
Energy: 0.5851988884045001
Energy: 0.5810292602861348
Energy: 0.5680752338710775
Energy: 0.5853067644987044
Energy: 0.587047995216566
Energy: 0.5626292588017565
Energy: 0.5685382220256019
Energy: 0.5599831553528345
Energy: 0.5608035893959409
Energy: 0.5696312133889176
Energy: 0.5602811268393122
Energy: 0.5681246467198602
Energy: 0.5737997338265522
Energy: 0.5626434760579833
Energy: 0.5593397733825257
Energy: 0.5671101304190677
Energy: 0.5819546114901172
Energy: 0.558899273578133
Energy: 0.5732226322277272
Energy: 0.5734105929802297
Energy: 0.5631686782686944
Energy: 0.5736544278315321
Energy: 0.5882066356776311
Energy: 0.5630379619021005
Energy: 0.6221309402930622
Energy: 0.5713186497188384
Energy: 0.5672629559525222
Energy: 0.6201650848869321
Energy: 0.5684733908101326
Energy: 0.5746346102592791
Energy: 0.5710767764602668
Energy: 0.5644599809278183
Energy: 0.5637641048466618
Energy: 0.5715419389221849
Energy: 0.5783752411640117
Energy: 0.5638196525048574
Energy: 0.5865804153129247
Energy: 0.5717519600058486
Energy: 0.5634265936369381
Energy: 0.5870971268999966
Energy: 0.5839763433173849
Energy: 0.5633659199349464
Energy: 0.5506744636033721
Energy: 0.5765860205862635
Energy: 0.5741178524833658
Energy: 0.5506555491952418
Energy: 0.5694873587822481
Energy: 0.5742983901960272

minimum gb energy = 0.5506555491952418 eV
minimum distance =  2.56369287318606 Angstroms
sigma value = 27


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

Energy: 0.5360166504360844
Energy: 0.8099101995759135
Energy: 0.5442173243770684
Energy: 0.5374956633707916
Energy: 0.8131112338932094
Energy: 0.53693437074604
Energy: 0.5653964185631416
Energy: 0.5544637504293244
Energy: 0.5559449930447484
Energy: 0.5653298142438659
Energy: 0.5640242737156109
Energy: 0.5634953152774729
Energy: 0.5541647466834245
Energy: 0.5615367503684664
Energy: 0.544700838656501
Energy: 0.5546465426182501
Energy: 0.5395186856116478
Energy: 0.5440628659700457
Energy: 0.5428715238175118
Energy: 0.5581443290192849
Energy: 0.5552805607164052
Energy: 0.5436256278413979
Energy: 0.5551193355657286
Energy: 0.5570023910253282
Energy: 0.5486594038269532
Energy: 0.5457037508924559
Energy: 0.5445675450024614
Energy: 0.5491157523439478
Energy: 0.5562227607615856
Energy: 0.5575793479244047
Energy: 0.5438094344652332
Energy: 0.5549634601178046
Energy: 0.5560607899987815
Energy: 0.5441151474187289
Energy: 0.5647320856221548
Energy: 0.563054616820743
Energy: 0.5429065022096966
Energy: 0.5414945738139156
Energy: 0.5365436855076456
Energy: 0.5429621429870213
Energy: 0.5401519236092525
Energy: 0.5398314713965444
Energy: 0.5622906113312671
Energy: 0.5616490022951851
Energy: 0.555422287878937
Energy: 0.563054040016077
Energy: 0.5394884083242374
Energy: 0.5566826376022755
Energy: 0.578561362135341
Energy: 0.5625158271499183
Energy: 0.5443376442113972
Energy: 0.5697089472678809
Energy: 0.5622691332353795
Energy: 0.5535247342310802
Energy: 0.5778620692358073
Energy: 0.5470452166403529
Energy: 0.5444214039079203
Energy: 0.5694502121402341
Energy: 0.5444736858194794
Energy: 0.5543479965657622
Energy: 0.5632130376699661
Energy: 0.5444874161299924
Energy: 0.5555819496289687
Energy: 0.5640925157290805
Energy: 0.5496178018836686
Energy: 0.5555081367752487
Energy: 0.5619683594760077
Energy: 0.5473327261009837
Energy: 0.5566088289332666
Energy: 0.5628436319667768
Energy: 0.5445818996383475
Energy: 0.5577977004009756
Energy: 0.5411351458644648
Energy: 0.5430910895587517
Energy: 0.5389446904261148
Energy: 0.5400061128082928
Energy: 0.5443988951577091
Energy: 0.5395887262144794
Energy: 0.548677138538248
Energy: 0.5549027420009843
Energy: 0.5565906740553214
Energy: 0.5497395245351575
Energy: 0.565402741394326
Energy: 0.5611021954932233
Energy: 0.5640512953352623
Energy: 0.5551688500021125
Energy: 0.5544633910453277
Energy: 0.5646252985718156
Energy: 0.5688355268907259
Energy: 0.5545128419219288
Energy: 0.5447984479056512
Energy: 0.5543588907067406
Energy: 0.5542987665345928
Energy: 0.5453005913290975
Energy: 0.5615131192495758
Energy: 0.5442828042842254
Energy: 0.5381163144884362
Energy: 0.5542948760054535
Energy: 0.5561479616983362
Energy: 0.5380753186428543
Energy: 0.5639760954770392
Energy: 0.5555212554747053
Energy: 0.5456076913275573
Energy: 0.5670060254375039
Energy: 0.5559382323215751
Energy: 0.545148536353252
Energy: 0.5638970767582853
Energy: 0.555892008928376
Energy: 0.5439292398166045
Energy: 0.556217312937521
Energy: 0.563895793715109
Energy: 0.5446238300307241
Energy: 0.53665806343969
Energy: 0.5617184676857663
Energy: 0.5543809493129089
Energy: 0.5562294349049283
Energy: 0.5636681192586482
Energy: 0.5551679806890003
Energy: 0.536583104650149
Energy: 0.5617918745077104
Energy: 0.5634943537680472
Energy: 0.5667053508374349
Energy: 0.5557624689062679
Energy: 0.5630050574565348
Energy: 0.5639189693285019
Energy: 0.5557784946361523
Energy: 0.5399956330236315
Energy: 0.543773088478461
Energy: 0.5438090499216794
Energy: 0.5406200582065287
Energy: 0.5438400174006316
Energy: 0.5442706838750051
Energy: 0.5625474585930034
Energy: 0.5568797334310672
Energy: 0.5636951709208536
Energy: 0.5633188105050198
Energy: 0.5445460190336711
Energy: 0.556231799005836
Energy: 0.5644690886012046
Energy: 0.5547610065240006
Energy: 0.5563185186605186
Energy: 0.5654503292404759
Energy: 0.5449140010380629
Energy: 0.5548819064337808
Energy: 0.5486397683731268
Energy: 0.5482071207973632
Energy: 0.5568275289838897
Energy: 0.5495705071003893
Energy: 0.5445823097835418
Energy: 0.5612783369693661

minimum gb energy = 0.5360166504360844 eV
minimum distance =  2.61698695484493 Angstroms
sigma value = 19


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

Energy: 0.8034839469929075
Energy: 0.6306264792472878
Energy: 0.6042172205849012
Energy: 0.5953742341915541
Energy: 0.6308440112118584
Energy: 0.6081140726371914
Energy: 0.6297737247178125
Energy: 0.5743451757879513
Energy: 0.5731327817604924
Energy: 0.629119843883463
Energy: 0.5741288894057629
Energy: 0.5865370205391364
Energy: 0.5771284714914519
Energy: 0.5406504092200604
Energy: 0.5407719373210267
Energy: 0.5771761040467495
Energy: 0.540957357310276
Energy: 0.5902890967136094
Energy: 0.5732614159830743
Energy: 0.5865679560178368
Energy: 0.5871037493123692
Energy: 0.5725901655131286
Energy: 0.5746243220844578
Energy: 0.586687397412357
Energy: 0.5475150998487417
Energy: 0.5773073779035268
Energy: 0.5770188018806439
Energy: 0.5485973882986157
Energy: 0.5773099862620878
Energy: 0.5407868419720959
Energy: 0.5730368655407385
Energy: 0.588176590170139
Energy: 0.5872896187673062
Energy: 0.5734688297272642
Energy: 0.6013739744918098
Energy: 0.5872707701255638
Energy: 0.56951506275146
Energy: 0.5764691361523623
Energy: 0.5607035468631161
Energy: 0.5697818961527868
Energy: 0.5666991748161299
Energy: 0.5661029601410932
Energy: 0.5732450682716749
Energy: 0.5820613351556131
Energy: 0.5868571945799816
Energy: 0.5739867689715772
Energy: 0.5749634342977412
Energy: 0.5748678841722414
Energy: 0.5410482422841707
Energy: 0.5774358433093768
Energy: 0.5810757467133001
Energy: 0.5409735399781266
Energy: 0.5773370743648973
Energy: 0.5860550381378492
Energy: 0.540527952669215
Energy: 0.573584454530849
Energy: 0.5829195915883256
Energy: 0.5406472058267754
Energy: 0.5738903587921782
Energy: 0.5839675673893563
Energy: 0.5670611599375354
Energy: 0.5316481765818805
Energy: 0.531574566909573
Energy: 0.567070238849917
Energy: 0.5338142646856096
Energy: 0.5716073970215433
Energy: 0.5917612766882676
Energy: 0.5742834533179731
Energy: 0.5837252814642515
Energy: 0.5927712190342217
Energy: 0.5654243778797479
Energy: 0.581536161505362
Energy: 0.6496741289427491
Energy: 0.5772630134687794
Energy: 0.5687015921979837
Energy: 0.5495641656815468
Energy: 0.5773178737008738
Energy: 0.5687681960047875
Energy: 0.5732370008640261
Energy: 0.5722998877743526
Energy: 0.5735987405188445
Energy: 0.573218823861971
Energy: 0.5716179860618696
Energy: 0.5747160003395428
Energy: 0.5771325028117991
Energy: 0.5312480215100421
Energy: 0.5682521418295791
Energy: 0.5771477417682308
Energy: 0.5309506158080213
Energy: 0.5695605781664206
Energy: 0.5772570283972839
Energy: 0.5432993055687046
Energy: 0.5784409843490267
Energy: 0.5782990765724163
Energy: 0.5313287777973039
Energy: 0.5761061726999266
Energy: 0.6651604108100513
Energy: 0.5648818200433537
Energy: 0.5658299258645866
Energy: 0.532568266571031
Energy: 0.5647079803303128
Energy: 0.5688567373407304
Energy: 0.5833323824513954
Energy: 0.5701157344358136
Energy: 0.5707592118731702
Energy: 0.5838477801100546
Energy: 0.5776898023857153
Energy: 0.572198477837105
Energy: 0.5776569145498497
Energy: 0.529866720238757
Energy: 0.5753344097421276
Energy: 0.577604253844552
Energy: 0.5301855560001525
Energy: 0.5697081224105494
Energy: 0.5656182228755221
Energy: 0.5640457790973881
Energy: 0.5781826076427052
Energy: 0.5662991043419152
Energy: 0.5302916464511767
Energy: 0.5698073318749869
Energy: 0.5348398497401942
Energy: 0.5768012180119684
Energy: 0.5706025295109991
Energy: 0.535546203338162
Energy: 0.5774147789686735
Energy: 0.5749583812425543
Energy: 0.5426915286829735
Energy: 0.584936226151951
Energy: 0.5799541985686048
Energy: 0.5429472116659584
Energy: 0.5937499013151677
Energy: 0.5765994749433632
Energy: 0.5700352653334774
Energy: 0.527518453263949
Energy: 0.571462561652707
Energy: 0.570124374716273
Energy: 0.5273926767247856
Energy: 0.5679849340679738
Energy: 0.5734619215326027
Energy: 0.5620039059221078
Energy: 0.5701425508107681
Energy: 0.5734654227419036
Energy: 0.5275159387841069
Energy: 0.5683005654134947
Energy: 0.5834756988706936
Energy: 0.5783198376636952
Energy: 0.5794484186342266
Energy: 0.586749797224032
Energy: 0.5922053404825453
Energy: 0.5790998583272016
Energy: 0.5622426201590487
Energy: 0.5670527929836617
Energy: 0.5704798678237867
Energy: 0.5394179964963013
Energy: 0.5671463089121981
Energy: 0.5747767896501909
Energy: 0.5737736609990806
Energy: 0.5412193792319238
Energy: 0.5901585611749023
Energy: 0.5748276995578541
Energy: 0.5404288507459526
Energy: 0.5742451112019147
Energy: 0.5741205987688262
Energy: 0.540484643771341
Energy: 0.5818923571868126
Energy: 0.5739418071936834
Energy: 0.5564639525434107
Energy: 0.5827713178118463
Energy: 0.5947216573917663
Energy: 0.5729008526957136
Energy: 0.574447811096521
Energy: 0.5655925745408811
Energy: 0.5727898924849455
Energy: 0.5683678940400013

minimum gb energy = 0.5273926767247856 eV
minimum distance =  2.55898072116199 Angstroms
sigma value = 101


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

Energy: 0.759910893326257
Energy: 0.8989181375844566
Energy: 0.7320789910144128
Energy: 0.7610381835794301
Energy: 0.5447209998861834
Energy: 0.49906215719438696
Energy: 0.6231251301337263
Energy: 0.5680312284134635
Energy: 0.5740033332302663
Energy: 0.586772960985846
Energy: 0.5634803157596523
Energy: 0.5720528052734348
Energy: 0.5721002685982556
Energy: 0.510073707475906
Energy: 0.5100349845497171
Energy: 0.5720535545455007
Energy: 0.5112978944590213
Energy: 0.5565942971906541
Energy: 0.5628323917195981
Energy: 0.5728546916117727
Energy: 0.5732101449389427
Energy: 0.5635606955632917
Energy: 0.5657370651887086
Energy: 0.5726296161510467
Energy: 0.5184431094275371
Energy: 0.5724975870114685
Energy: 0.5703603851556107
Energy: 0.5197867557694382
Energy: 0.5731437651663853
Energy: 0.5180909135949454
Energy: 0.5426482255934882
Energy: 0.5724730710514095
Energy: 0.5725581036998917
Energy: 0.5428356268045202
Energy: 0.5865312861447278
Energy: 0.5733844676778138
Energy: 0.5694704858539376
Energy: 0.5449220680133658
Energy: 0.5227322849085677
Energy: 0.5694873122037607
Energy: 0.5441171051860851
Energy: 0.534178377693539
Energy: 0.562263162202922
Energy: 0.5719942886144134
Energy: 0.5726799048863211
Energy: 0.5629551180188059
Energy: 0.5659202966381516
Energy: 0.5635960977632768
Energy: 0.5111336969034945
Energy: 0.5717990486013702
Energy: 0.5439710355314925
Energy: 0.5118279968046964
Energy: 0.5719470682443737
Energy: 0.5100700075478011
Energy: 0.51034234828239
Energy: 0.5730408292004737
Energy: 0.5755503668351792
Energy: 0.5101712314221691
Energy: 0.5736561048629214
Energy: 0.5759580016137488
Energy: 0.5623000058904574
Energy: 0.49773425000552834
Energy: 0.49765923041893956
Energy: 0.5622748615390138
Energy: 0.500550563601401
Energy: 0.558705464765101
Energy: 0.5720902817168517
Energy: 0.5751828628762555
Energy: 0.5769459288305289
Energy: 0.5729081637337322
Energy: 0.5513649103484791
Energy: 0.5744801885429544
Energy: 0.6138062526385374
Energy: 0.5719776864452752
Energy: 0.5727269631603804
Energy: 0.6150623851291619
Energy: 0.5730737196923534
Energy: 0.5701913785547169
Energy: 0.545614519637714
Energy: 0.5623732101123431
Energy: 0.5720042298358953
Energy: 0.5771584050224825
Energy: 0.5634987396522415
Energy: 0.5705493340554753
Energy: 0.5721083100049497
Energy: 0.5107339334712906
Energy: 0.5097772910266148
Energy: 0.5729112919114803
Energy: 0.5116566190893856
Energy: 0.5663546640364447
Energy: 0.586173118489031
Energy: 0.5219009829098848
Energy: 0.5626753625431575
Energy: 0.5860418136975172
Energy: 0.511375033158772
Energy: 0.573325233755319
Energy: 0.702064403582905
Energy: 0.563134960438008
Energy: 0.5658386184368226
Energy: 0.7016417672433315
Energy: 0.5624361216022726
Energy: 0.5428109148408039
Energy: 0.5774835284337826
Energy: 0.5624143435491732
Energy: 0.5658845443858129
Energy: 0.5774405985154284
Energy: 0.5623253782146693
Energy: 0.5727193298069209
Energy: 0.5722390556646959
Energy: 0.5099515572744957
Energy: 0.509910160850207
Energy: 0.57223462757427
Energy: 0.5098699401692255
Energy: 0.5634230618969321
Energy: 0.5617748652616257
Energy: 0.5095549052082919
Energy: 0.5728315269458921
Energy: 0.5625869474209195
Energy: 0.5098157681202158
Energy: 0.5738831308631128
Energy: 0.5200352704693908
Energy: 0.5626116951198001
Energy: 0.5656313941838759
Energy: 0.5211380834452324
Energy: 0.5623031703274635
Energy: 0.5186660741021477
Energy: 0.5401137100844469
Energy: 0.5745302597490982
Energy: 0.5740953419378367
Energy: 0.5411031210709484
Energy: 0.58735495601818
Energy: 0.5726393060839172
Energy: 0.5626558698535752
Energy: 0.5464066353847342
Energy: 0.5463641589969565
Energy: 0.5625093004854562
Energy: 0.5479221264730008
Energy: 0.5663931156847609
Energy: 0.5631479638168475
Energy: 0.5728218511434205
Energy: 0.5704215871803199
Energy: 0.5624147661511899
Energy: 0.5474029322241601
Energy: 0.5661073487741374
Energy: 0.5239546768086215
Energy: 0.582901340257625
Energy: 0.5738631310988294
Energy: 0.5144626802411834
Energy: 0.5863678420684775
Energy: 0.565155928163186
Energy: 0.5110245229678609
Energy: 0.570952671908927
Energy: 0.5725003792229153
Energy: 0.5116473774045386
Energy: 0.5741633341874149
Energy: 0.5758287315287861
Energy: 0.5635784925234507
Energy: 0.4973768587229818
Energy: 0.5680975632073821
Energy: 0.5622385529091338
Energy: 0.500755582961988
Energy: 0.5665976284192663
Energy: 0.5743772034161575
Energy: 0.4978682142141288
Energy: 0.5694298245352459
Energy: 0.572367502563192
Energy: 0.4974955332110851
Energy: 0.5698375199474545
Energy: 0.5471677782352476
Energy: 0.5723735326619009
Energy: 0.5708645635983646
Energy: 0.5082785506215834
Energy: 0.5721418171407756
Energy: 0.5701677069364756
Energy: 0.5461845566824062
Energy: 0.5618060311072561
Energy: 0.5638152361065776
Energy: 0.508605285266829
Energy: 0.5631818679364002
Energy: 0.5702439708487559
Energy: 0.5733148746321522
Energy: 0.5098066778494849
Energy: 0.510808867849564
Energy: 0.5742663717369615
Energy: 0.5097495382687464
Energy: 0.5742050857177843
Energy: 0.5875711910161241
Energy: 0.5215740828569045
Energy: 0.5432613480964563
Energy: 0.5876122196487967
Energy: 0.5221193151734248
Energy: 0.5652564954726889
Energy: 0.5701720465884307
Energy: 0.5623497302608939
Energy: 0.5678832149891915
Energy: 0.4966826573796445
Energy: 0.5622505048419013
Energy: 0.5709520652160982

minimum gb energy = 0.4966826573796445 eV
minimum distance =  2.5688492919612 Angstroms
sigma value = 33


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

Energy: 0.011713306822086206
Energy: 0.5193980603154521
Energy: 0.012827224858123121
Energy: 0.013135547369590557
Energy: 0.5183140927375786
Energy: 0.012282848343428169
Energy: 0.23911962392801892
Energy: 0.06347441014134916
Energy: 0.06206735013143792
Energy: 0.06152923331170944
Energy: 0.06149751022819782
Energy: 0.061845854716372224
Energy: 0.6930980942049351
Energy: 0.5206563788568447
Energy: 0.518820726208325
Energy: 0.5185001425668015
Energy: 0.5182398851120557
Energy: 0.5185268052567775
Energy: 0.013589851647579825
Energy: 0.06347441014134916
Energy: 0.06206735013143792
Energy: 0.061529233312044046
Energy: 0.06149751022819782
Energy: 0.061845854716372224

minimum gb energy = 0.011713306822086206 eV
minimum distance =  2.82305290767147 Angstroms
sigma value = 1