Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499994456768045
cohesive_energy=3.299025747576126
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6866754296771598e-19, 2.33291337500106e-19, 2.8077504640196397e-19, 3.18563984491488e-19, 3.4980002014795194e-19, 3.7620068672300395e-19, 3.9883463603152194e-19, 4.1841804102890393e-19, 4.3546359823803e-19, 4.503494213445239e-19, 4.633687086724079e-19, 4.747521736569779e-19, 4.84680862257876e-19, 4.933101856086e-19, 5.00765113486602e-19, 5.071513895497259e-19, 5.125603378661099e-19, 5.1707046509082e-19, 5.207474604658499e-19, 5.236538088799259e-19, 5.25840779985336e-19, 5.27353234727832e-19, 5.28234431876532e-19, 5.28521221494018e-19, 5.28215205756924e-19, 5.2722826495038e-19, 5.25443440180104e-19, 5.227261486088399e-19, 5.18908161690018e-19, 5.13798820404192e-19, 5.07162604786164e-19, 4.987143273950819e-19, 4.88115928961172e-19, 4.74946037029692e-19, 4.586919550777619e-19, 4.387192211583179e-19, 4.14233155660896e-19, 3.84232398189246e-19, 3.4744482049597195e-19, 3.0223460023776e-19, 2.4647084249139e-19, 1.7733692073428996e-19, 9.10593885580632e-20, -1.75111497389664e-20, -1.555503626474946e-19, -3.3327997687477794e-19, -5.656772998131119e-19, -8.753828496952138e-19, -1.297977765208956e-18, -1.8920744741559598e-18, -2.76002162209278e-18, -4.09469884528014e-18, -6.29969443782264e-18]
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: -0.061233718112 eV

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

Energy: 0.01013662648142889
Energy: 0.049649357753262395
Energy: 0.30996473984609074
Energy: 0.0107058738155167
Energy: 0.049649357753262395
Energy: 0.2875347821305729
Energy: 0.010705873815016984
Energy: 0.28753478213104483
Energy: 0.30996473984559103
Energy: 0.010705873815016984
Energy: 0.01013662648142889
Energy: 0.049649357753262395
Energy: 0.0107058738155167
Energy: 0.2875347821305729
Energy: 0.049649357753262395
Energy: 0.2875347821305729

minimum gb energy = 0.01013662648142889 eV
minimum distance =  2.84563137686299 Angstroms
sigma value = 1


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

Energy: 0.6102064481726603
Energy: 0.47296485665983445
Energy: 0.4742514758927908
Energy: 0.4408078216445966
Energy: 0.4451167426950833
Energy: 0.47171010466889085
Energy: 0.44450448650195906
Energy: 0.47171010467010294
Energy: 0.47367924970178055
Energy: 0.47310384237931363
Energy: 0.44411154393380436
Energy: 0.47310384237870756
Energy: 0.44535662786386276
Energy: 0.44437403476132736
Energy: 0.4446480379677746
Energy: 0.4443740347619335
Energy: 0.5699989869545001
Energy: 0.44774658513109833
Energy: 0.4492849753549239
Energy: 0.44774658513109833
Energy: 0.4723818391810057
Energy: 0.4439799715104045
Energy: 0.44452769269072234
Energy: 0.44397997150979845
Energy: 0.4682636475516998
Energy: 0.46704479866213944
Energy: 0.44916862556654397
Energy: 0.46704479866153337
Energy: 0.45281734119254907
Energy: 0.44987655224747464
Energy: 0.48778133185056033
Energy: 0.44987655224747464
Energy: 0.502024626959618
Energy: 0.47253976869799885
Energy: 0.4693211904525256
Energy: 0.47253976869799885
Energy: 0.4829143148583375
Energy: 0.4682802087904606
Energy: 0.44922839891747873
Energy: 0.46828020878924853
Energy: 0.44687004021070564
Energy: 0.4720387628086779
Energy: 0.5019387767783696
Energy: 0.4720387628086779
Energy: 0.4512960999415834
Energy: 0.48068004469525144
Energy: 0.4884192276676165
Energy: 0.4806800446946454
Energy: 0.4664888522773493
Energy: 0.4667896282579939
Energy: 0.44879905161135913
Energy: 0.4667896282586
Energy: 0.47190736223412133
Energy: 0.4651338359183502
Energy: 0.46574984383516144
Energy: 0.4651338359183502
Energy: 0.44827583202849475
Energy: 0.4475650383063015
Energy: 0.4486934861102184
Energy: 0.4475650383063015
Energy: 0.46382393901692653
Energy: 0.44417883573058037
Energy: 0.44540713390604797
Energy: 0.44417883573058037
Energy: 0.47330975310568907
Energy: 0.47287828497106993
Energy: 0.43680665962908183
Energy: 0.472878284971676
Energy: 0.44486519818887604
Energy: 0.4497106242529805
Energy: 0.44924469087249713
Energy: 0.4497106242523744
Energy: 0.4435550868355578
Energy: 0.4732732737333985
Energy: 0.4753059083426786
Energy: 0.47327327373461064
Energy: 0.5003297868466142
Energy: 0.47295918064289555
Energy: 0.4733530109842683
Energy: 0.47295918064410764
Energy: 0.45188160378922915
Energy: 0.4476635433260064
Energy: 0.44877425839933277
Energy: 0.44766354332661235
Energy: 0.4464811344633351
Energy: 0.44488102940433677
Energy: 0.47264075109126946
Energy: 0.44488102940433677
Energy: 0.4488208695110446
Energy: 0.46706745651245185
Energy: 0.469716629177708
Energy: 0.46706745651245185
Energy: 0.4880200295833591
Energy: 0.46486357712639426
Energy: 0.45097081085461954
Energy: 0.46486357712760634
Energy: 0.4478334374903247
Energy: 0.4730544848275621
Energy: 0.502390054558392
Energy: 0.4730544848275621
Energy: 0.4502927295305841
Energy: 0.4737993975388645
Energy: 0.4840535750063554
Energy: 0.47379939753825845
Energy: 0.5025850428707802
Energy: 0.47271144562770306
Energy: 0.44719921300031845
Energy: 0.472711445627097
Energy: 0.4872005097821334
Energy: 0.47165180468286333
Energy: 0.44970167532414823
Energy: 0.47165180468286333
Energy: 0.4485726039304973
Energy: 0.46785495036766084
Energy: 0.46624865867281073
Energy: 0.46785495036766084
Energy: 0.46567777304969016
Energy: 0.4677642954778896
Energy: 0.4723382554123529
Energy: 0.4677642954778896
Energy: 0.44798665001352606
Energy: 0.44736300279373276
Energy: 0.44828311498323864
Energy: 0.4473630027955509
Energy: 0.445599561973929
Energy: 0.4441132313046094
Energy: 0.4638543944542607
Energy: 0.4441132313033973
Energy: 0.4372052908198519
Energy: 0.4729955453508167
Energy: 0.47360765333750027
Energy: 0.4729955453514228

minimum gb energy = 0.43680665962908183 eV
minimum distance =  2.58264277316332 Angstroms
sigma value = 1


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

Energy: 0.6979456146050266
Energy: 0.4891666694323142
Energy: 0.48875589624905086
Energy: 0.4531018463261448
Energy: 0.4891164985379337
Energy: 0.48499042862232755
Energy: 0.4586315155038242
Energy: 0.48499042862163655
Energy: 0.4975147593986855
Energy: 0.48942467850814064
Energy: 0.4562899186565722
Energy: 0.4894246785102137
Energy: 0.4560847089421879
Energy: 0.485060160150012
Energy: 0.4584910376723119
Energy: 0.485060160147248
Energy: 0.45646534737934
Energy: 0.4611870842505581
Energy: 0.4619481979646464
Energy: 0.46118708425332205
Energy: 0.48767983555676747
Energy: 0.45667135516382057
Energy: 0.457445963638884
Energy: 0.45667135515967455
Energy: 0.4885146342758727
Energy: 0.4865061429144142
Energy: 0.4628053099059611
Energy: 0.48650614291510524
Energy: 0.4627328058241276
Energy: 0.46538728855330275
Energy: 0.506871486725599
Energy: 0.46538728855606676
Energy: 0.4633823401800969
Energy: 0.4931641211886488
Energy: 0.5042230749086065
Energy: 0.4931641211872667
Energy: 0.5077068529722883
Energy: 0.4926474739574125
Energy: 0.46384886989182367
Energy: 0.4926474739525755
Energy: 0.46282708070644407
Energy: 0.48651569368752307
Energy: 0.48932444338070485
Energy: 0.48651569368545006
Energy: 0.4834623328929587
Energy: 0.4856643823035849
Energy: 0.4886240118568322
Energy: 0.4856643823035849
Energy: 0.46079803159192456
Energy: 0.4607227091097567
Energy: 0.46242750241349767
Energy: 0.4607227091097567
Energy: 0.4580636000011422
Energy: 0.4580482787141943
Energy: 0.4788351536281112
Energy: 0.45804827871143033
Energy: 0.4475133014041159
Energy: 0.48912818370191713
Energy: 0.48996199126316675
Energy: 0.48912818370191713
Energy: 0.46309961687759016
Energy: 0.4629486877151361
Energy: 0.4582799091747752
Energy: 0.4629486877144451
Energy: 0.48956941788774294
Energy: 0.4892926588467727
Energy: 0.4558954168376098
Energy: 0.4892926588481547
Energy: 0.4894600068432891
Energy: 0.4862304274143002
Energy: 0.5196018650504871
Energy: 0.48623042741084516
Energy: 0.4561360325628856
Energy: 0.46068464867830616
Energy: 0.4639481324977878
Energy: 0.4606846486776152
Energy: 0.4874825386680829
Energy: 0.4575968888859328
Energy: 0.45843002669601274
Energy: 0.4575968888831688
Energy: 0.47200361182881434
Energy: 0.48662523244357564
Energy: 0.4625677268422393
Energy: 0.4866252324442666
Energy: 0.46241104901834723
Energy: 0.4839026870055772
Energy: 0.5084305305493843
Energy: 0.48390268700626826
Energy: 0.5425462013364024
Energy: 0.4930977637708347
Energy: 0.5027103951716703
Energy: 0.4930977637729077
Energy: 0.5075329255557649
Energy: 0.49282360629515437
Energy: 0.4638613008365963
Energy: 0.49282360629926897
Energy: 0.4628106105186598
Energy: 0.48638836569905475
Energy: 0.48918413981500247
Energy: 0.48638836570112776
Energy: 0.4835451899215121
Energy: 0.48688989640341224
Energy: 0.4889503253695871
Energy: 0.48688989640410324
Energy: 0.461278851188699
Energy: 0.4603715368625396
Energy: 0.4624807739590876
Energy: 0.4603715368611576
Energy: 0.45832926994041673
Energy: 0.46048140113074015
Energy: 0.47884275865232423
Energy: 0.4604814011335041
Energy: 0.4475579984057648
Energy: 0.4890763159665069
Energy: 0.48998240327349996
Energy: 0.4890763159658159

minimum gb energy = 0.4475133014041159 eV
minimum distance =  2.57315154406174 Angstroms
sigma value = 25


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

Energy: 0.6653624144709159
Energy: 0.5043971277104151
Energy: 0.5062655953471141
Energy: 0.4630549981145979
Energy: 0.5044093533183734
Energy: 0.49707555109608026
Energy: 0.47342455736139827
Energy: 0.49707555109608026
Energy: 0.5128286234883872
Energy: 0.5043398335668045
Energy: 0.46787889823054585
Energy: 0.5043398335668045
Energy: 0.5042856163238439
Energy: 0.49724107863187
Energy: 0.47221420114333745
Energy: 0.49724107863106676
Energy: 0.4682702476858992
Energy: 0.4746489543100263
Energy: 0.477763611603323
Energy: 0.4746489543100263
Energy: 0.5066447651522991
Energy: 0.469474097965406
Energy: 0.4698243008930211
Energy: 0.469474097965406
Energy: 0.49309760497386224
Energy: 0.5116161314595481
Energy: 0.5193350221273036
Energy: 0.5116161314603515
Energy: 0.4788031376234107
Energy: 0.5098220558306527
Energy: 0.5319262238988486
Energy: 0.5098220558314559
Energy: 0.5207217216286992
Energy: 0.5115032047949045
Energy: 0.5447585066365642
Energy: 0.5115032047949045
Energy: 0.5063434919830015
Energy: 0.515891823879007
Energy: 0.4693588090602508
Energy: 0.5158918238782036
Energy: 0.4569176324813491
Energy: 0.4748546194801973
Energy: 0.48418159911394926
Energy: 0.4748546194801973
Energy: 0.49479089412678345
Energy: 0.4747875475945961
Energy: 0.4717124791549108
Energy: 0.4747875475945961
Energy: 0.5047055209335332
Energy: 0.5041805216095336
Energy: 0.45635046663466927
Energy: 0.5041805216279907
Energy: 0.47250462641348845
Energy: 0.47880984797530696
Energy: 0.5137113201969198
Energy: 0.47880984797530696
Energy: 0.46842914116099305
Energy: 0.5050068775266789
Energy: 0.5144510934518504
Energy: 0.5050068775266789
Energy: 0.5419409362818722
Energy: 0.49851895703213644
Energy: 0.5043851144289732
Energy: 0.49851895703213644
Energy: 0.4761782217969059
Energy: 0.4746320159974342
Energy: 0.46870847325973414
Energy: 0.47463201599663096
Energy: 0.4697557480748377
Energy: 0.47533980280462446
Energy: 0.5185805229211624
Energy: 0.4753398028038212
Energy: 0.5191014034881742
Energy: 0.5116112874491261
Energy: 0.4930827828350812
Energy: 0.5116112874491261
Energy: 0.5332360551711046
Energy: 0.512423727796798
Energy: 0.4807709842244237
Energy: 0.5124237277983862
Energy: 0.47661646896099524
Energy: 0.5118820407368672
Energy: 0.5206459043264241
Energy: 0.5118820407360638
Energy: 0.47709168339786573
Energy: 0.5131586567344012
Energy: 0.5066468926841767
Energy: 0.5131586567344012
Energy: 0.4849226925123819
Energy: 0.4749348038579553
Energy: 0.45696449967336406
Energy: 0.4749348038587585
Energy: 0.47165637817208544
Energy: 0.4789927524065408
Energy: 0.45717215755685525
Energy: 0.4789927524073441
Energy: 0.45619051213684253
Energy: 0.5039711286831451
Energy: 0.5046889905178918
Energy: 0.5039711286839483

minimum gb energy = 0.45619051213684253 eV
minimum distance =  2.57106872501225 Angstroms
sigma value = 9


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

Energy: 0.6223312409989202
Energy: 0.5286579147559185
Energy: 0.5295175288278673
Energy: 0.47540676556748684
Energy: 0.5197782894518718
Energy: 0.5083670389568645
Energy: 0.49811829310582595
Energy: 0.5083670389559062
Energy: 0.5288914716952875
Energy: 0.5281538710488253
Energy: 0.5196444278164962
Energy: 0.5281538710488253
Energy: 0.5213521647018408
Energy: 0.5085864452834067
Energy: 0.4878551574489724
Energy: 0.5085864452824486
Energy: 0.5028163654822946
Energy: 0.5013888110036614
Energy: 0.5029971068044281
Energy: 0.5013888110027251
Energy: 0.5317566622113652
Energy: 0.49457300640415536
Energy: 0.48454613956746173
Energy: 0.49457300640511365
Energy: 0.5199663581128309
Energy: 0.5413631367819189
Energy: 0.5044981379914935
Energy: 0.5413631367828772
Energy: 0.4841622276133586
Energy: 0.5389920100283785
Energy: 0.533074785387169
Energy: 0.5389920100283785
Energy: 0.5012735225703994
Energy: 0.4934882263263601
Energy: 0.4642584327253908
Energy: 0.4934882263263601
Energy: 0.4946960007952474
Energy: 0.5096540368316995
Energy: 0.46426931145158845
Energy: 0.5096540368316995
Energy: 0.462439689633499
Energy: 0.5286871747745998
Energy: 0.527602849098006
Energy: 0.5286871747736416
Energy: 0.5457323118335028
Energy: 0.4993881258124852
Energy: 0.519258525707426
Energy: 0.49938812581056863
Energy: 0.5281008424058066
Energy: 0.5203723012190616
Energy: 0.5189244960643812
Energy: 0.5203723012200198
Energy: 0.5224989475863128
Energy: 0.507969283972352
Energy: 0.570335850348493
Energy: 0.5079692839713937
Energy: 0.5027051708473209
Energy: 0.5016747283808589
Energy: 0.5014019977403289
Energy: 0.501674728381817
Energy: 0.5486986702429716
Energy: 0.5012204002562541
Energy: 0.49365536268328114
Energy: 0.5012204002552958
Energy: 0.5189067795703448
Energy: 0.5419455914446635
Energy: 0.5044218223840096
Energy: 0.5419455914465798
Energy: 0.5106124835399424
Energy: 0.5439463853074337
Energy: 0.5491551099642406
Energy: 0.5439463853074337
Energy: 0.5007316525904089
Energy: 0.49367841594690837
Energy: 0.463869764581756
Energy: 0.49367841594690837
Energy: 0.48513198784354566
Energy: 0.49974675615356456
Energy: 0.4643482471422407
Energy: 0.499746756151648
Energy: 0.46247202664988013
Energy: 0.5281288407615499
Energy: 0.5225382011688349
Energy: 0.5281288407644247

minimum gb energy = 0.462439689633499 eV
minimum distance =  2.56349194862465 Angstroms
sigma value = 25


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

Energy: 0.5729376713068558
Energy: 0.5460434760008318
Energy: 0.5472860238705181
Energy: 0.4930646909341822
Energy: 0.5459022432800882
Energy: 0.5220832021026344
Energy: 0.5471637703251087
Energy: 0.5220832021038194
Energy: 0.5466055172088583
Energy: 0.5458614253096281
Energy: 0.5412677338704109
Energy: 0.5458614253096281
Energy: 0.5452229301473251
Energy: 0.5174407189346484
Energy: 0.4958460931908655
Energy: 0.5174407189334632
Energy: 0.5282455623602236
Energy: 0.5316951937598201
Energy: 0.5288698087017752
Energy: 0.5316951937598201
Energy: 0.4861335944609844
Energy: 0.5337601498450432
Energy: 0.4916901573673212
Energy: 0.5337601498450432
Energy: 0.567882433909329
Energy: 0.5300178442949062
Energy: 0.5283602602718296
Energy: 0.5300178442949062
Energy: 0.47953021485736147
Energy: 0.5189209707551407
Energy: 0.49561417532992214
Energy: 0.5189209707563258
Energy: 0.5463977037636907
Energy: 0.5455257328719177
Energy: 0.6027265163822288
Energy: 0.5455257328719177
Energy: 0.5466399060447837
Energy: 0.5478361572580199
Energy: 0.6001701372765227
Energy: 0.5478361572580199
Energy: 0.5407553386183357
Energy: 0.5461509479258925
Energy: 0.5506763243142586
Energy: 0.5461509479270773
Energy: 0.5412449756768083
Energy: 0.5198035731587056
Energy: 0.5460673513162281
Energy: 0.5198035731575207
Energy: 0.4961322041810672
Energy: 0.5307259227425046
Energy: 0.5283106225241587
Energy: 0.5307259227425046
Energy: 0.5252945310884644
Energy: 0.5319268348310991
Energy: 0.4887374516069927
Energy: 0.531926834828729
Energy: 0.5293634396503025
Energy: 0.5287995676836008
Energy: 0.4793332411754162
Energy: 0.5287995676836008
Energy: 0.4962584002682437
Energy: 0.5289791338845464
Energy: 0.5664462707840879
Energy: 0.5289791338833613
Energy: 0.6000965626384368
Energy: 0.5458212453957941
Energy: 0.5471598066974883
Energy: 0.5458212453957941

minimum gb energy = 0.4793332411754162 eV
minimum distance =  2.57221453197456 Angstroms
sigma value = 17


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

Energy: 0.742635458504662
Energy: 0.6021326926597064
Energy: 0.6019586215884382
Energy: 0.561859622448799
Energy: 0.5285982937525876
Energy: 0.5645159424552365
Energy: 0.6029739535432049
Energy: 0.5645159424552365
Energy: 0.5293542530824774
Energy: 0.5325128606074082
Energy: 0.6025830810092953
Energy: 0.5325128606080795
Energy: 0.5305007775763034
Energy: 0.5644429690648426
Energy: 0.6108567881788013
Energy: 0.5644429690648426
Energy: 0.589660333894874
Energy: 0.5754084606764723
Energy: 0.5545843385897734
Energy: 0.5754084606764723
Energy: 0.5723909237831177
Energy: 0.5869950836595146
Energy: 0.5302734837691004
Energy: 0.5869950836595146
Energy: 0.5567206552523415
Energy: 0.5327473440589673
Energy: 0.5288171752747247
Energy: 0.5327473440589673
Energy: 0.6411947291798267
Energy: 0.5316681020976209
Energy: 0.5290970623262065
Energy: 0.5316681020982921
Energy: 0.6056373813245141
Energy: 0.6021916672403426
Energy: 0.5997823155220071
Energy: 0.6021916672403426
Energy: 0.6055425527856259
Energy: 0.6016076663970917
Energy: 0.6006119352774982
Energy: 0.6016076663970917
Energy: 0.5630525200606137
Energy: 0.530144718003664
Energy: 0.5268968692173351
Energy: 0.5301447180043353
Energy: 0.6113168038005576
Energy: 0.5300999873001927
Energy: 0.5274808622718307
Energy: 0.5300999873001927
Energy: 0.5581770422593931
Energy: 0.526483522508374
Energy: 0.5305346390873279
Energy: 0.5264835225077027
Energy: 0.5578841501043211
Energy: 0.5373311092732542
Energy: 0.5076366810802236
Energy: 0.5373311092739254
Energy: 0.6091210301942407
Energy: 0.6016891233503322
Energy: 0.6399573429125496
Energy: 0.6016891233510034
Energy: 0.6051235037731781
Energy: 0.6008916472214387
Energy: 0.639814886885063
Energy: 0.600891647222781
Energy: 0.6011716871936997
Energy: 0.5296078066811469
Energy: 0.5290799291554068
Energy: 0.5296078066804757
Energy: 0.5996378170294324
Energy: 0.5297017107877465
Energy: 0.5325400146235467
Energy: 0.5297017107870754
Energy: 0.5308882215186871
Energy: 0.5854338407779931
Energy: 0.563653666037091
Energy: 0.5854338407786643
Energy: 0.5520762116658338
Energy: 0.5760192883689753
Energy: 0.5627556377183162
Energy: 0.5760192883683043
Energy: 0.5319996819772856
Energy: 0.5338044671840134
Energy: 0.6536639077268287
Energy: 0.5338044671840134
Energy: 0.5291114091988489
Energy: 0.5328810805296783
Energy: 0.5571450033961081
Energy: 0.5328810805296783
Energy: 0.6011895685122449
Energy: 0.5568940213161006
Energy: 0.6023359471487968
Energy: 0.5568940213161006
Energy: 0.6000210446443026
Energy: 0.6027768207143747
Energy: 0.6010748024370677
Energy: 0.6027768207143747
Energy: 0.508208231913565
Energy: 0.5641324683148939
Energy: 0.600361411654664
Energy: 0.5641324683142227
Energy: 0.5270788597131811
Energy: 0.5308298518868971
Energy: 0.5627096666885711
Energy: 0.5308298518868971
Energy: 0.5073731144953815
Energy: 0.5267442534196208
Energy: 0.647139973109968
Energy: 0.5267442534209633
Energy: 0.5334593955182713
Energy: 0.5306829937851523
Energy: 0.6221924867130656
Energy: 0.5306829937851523
Energy: 0.5275883387994845
Energy: 0.5641544973703759
Energy: 0.5577381962278123
Energy: 0.5641544973703759
Energy: 0.6415809389202752
Energy: 0.6015477065443641
Energy: 0.6014832974201905
Energy: 0.6015477065450352

minimum gb energy = 0.5073731144953815 eV
minimum distance =  2.54707408096468 Angstroms
sigma value = 53


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

Energy: 0.6745315766290784
Energy: 0.571405817180908
Energy: 0.5734473350367246
Energy: 0.4904538686326982
Energy: 0.5571147173532143
Energy: 0.5141577020780088
Energy: 0.5626131878843229
Energy: 0.5141577020795541
Energy: 0.570848271433977
Energy: 0.5606691610747687
Energy: 0.5620446881518565
Energy: 0.5606691610763138
Energy: 0.5592167684426717
Energy: 0.5128802288100109
Energy: 0.5727195981861252
Energy: 0.5128802288100109
Energy: 0.5612345600365672
Energy: 0.5122463500320912
Energy: 0.47862889224082267
Energy: 0.5122463500320912
Energy: 0.5766407856786994
Energy: 0.5136204922634546
Energy: 0.4786779583506002
Energy: 0.5136204922649997
Energy: 0.6314172063003817
Energy: 0.5586049560555033
Energy: 0.5626657716751716
Energy: 0.5586049560555033
Energy: 0.6329805208164384
Energy: 0.5576830346185178
Energy: 0.5634718109139253
Energy: 0.5576830346185178
Energy: 0.5589982639373857
Energy: 0.5591244130557211
Energy: 0.559904155536447
Energy: 0.5591244130572662
Energy: 0.5567492239664539
Energy: 0.5570589516103276
Energy: 0.5736663724978238
Energy: 0.5570589516118727
Energy: 0.5630572938200676
Energy: 0.5121423647602809
Energy: 0.47895401954824585
Energy: 0.5121423647587358
Energy: 0.5585890541813979
Energy: 0.5122016030896309
Energy: 0.48141180308955683
Energy: 0.5122016030896309
Energy: 0.6332726719099794
Energy: 0.5573298051993211
Energy: 0.5591854649204412
Energy: 0.5573298051977758

minimum gb energy = 0.47862889224082267 eV
minimum distance =  2.53756972559378 Angstroms
sigma value = 9


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

Energy: 0.6647360788437077
Energy: 0.6533070756387784
Energy: 0.6554312988424846
Energy: 0.6100819220872078
Energy: 0.5868502167475712
Energy: 0.5354666298308023
Energy: 0.6521617568587441
Energy: 0.5354666298308023
Energy: 0.5355996313064383
Energy: 0.5355178701692574
Energy: 0.6166082922803365
Energy: 0.5355178701675418
Energy: 0.5373517015157261
Energy: 0.5358434674265322
Energy: 0.6749460331148439
Energy: 0.5358434674265322
Energy: 0.5371669856618299
Energy: 0.5350125838565706
Energy: 0.6476548497240504
Energy: 0.5350125838559988
Energy: 0.5822953487948557
Energy: 0.5354438811711233
Energy: 0.6481033425530335
Energy: 0.5354438811705514
Energy: 0.6477676676216153
Energy: 0.6355841116792136
Energy: 0.6502627349274439
Energy: 0.6355841116786418
Energy: 0.6469877916948202
Energy: 0.6258441924417457
Energy: 0.6353848482491362
Energy: 0.6258441924423177
Energy: 0.5489868647789999
Energy: 0.5758989051518083
Energy: 0.5491015736529906
Energy: 0.5758989051500927
Energy: 0.5179935614347057
Energy: 0.5504535264066868
Energy: 0.6211826470381574
Energy: 0.5504535264049711
Energy: 0.5754146967438251
Energy: 0.57511486409554
Energy: 0.5979279195105046
Energy: 0.5751148640966838
Energy: 0.5760134906954555
Energy: 0.6095575268134121
Energy: 0.6502148074213493
Energy: 0.6095575268134121
Energy: 0.6667216414319685
Energy: 0.5749411086601901
Energy: 0.6147923030625878
Energy: 0.5749411086601901
Energy: 0.6464992048992467
Energy: 0.5750845928487046
Energy: 0.5792606818356503
Energy: 0.5750845928481328
Energy: 0.6356023963538868
Energy: 0.5667530210062179
Energy: 0.5527590485572118
Energy: 0.5667530210050742
Energy: 0.5783784107374957
Energy: 0.5821985523049896
Energy: 0.5518438468633841
Energy: 0.5821985523061334
Energy: 0.6375862501189423
Energy: 0.534219313936354
Energy: 0.5927958102024252
Energy: 0.534219313935782
Energy: 0.6354787445147957
Energy: 0.6355088412158857
Energy: 0.6519172012368134
Energy: 0.6355088412170293
Energy: 0.6478702848421449
Energy: 0.53551275949762
Energy: 0.6200422768178222
Energy: 0.5355127594964763
Energy: 0.6208392496424571
Energy: 0.5356795042831171
Energy: 0.5356166118115857
Energy: 0.5356795042814014
Energy: 0.6753488729977225
Energy: 0.5357376774386211
Energy: 0.5365944534874512
Energy: 0.5357376774386211
Energy: 0.6477495659205202
Energy: 0.5348916461960095
Energy: 0.5358372015967434
Energy: 0.5348916461954376
Energy: 0.6477948177030861
Energy: 0.5354768187252948
Energy: 0.5837641786544895
Energy: 0.5354768187258667
Energy: 0.6523250556100783
Energy: 0.6352508940066027
Energy: 0.6635661502957292
Energy: 0.6352508940054589
Energy: 0.6361123686598082
Energy: 0.6350827380482793
Energy: 0.6462692786812276
Energy: 0.6350827380482793
Energy: 0.5499963345443177
Energy: 0.5766616229249127
Energy: 0.5666953647634015
Energy: 0.5766616229249127
Energy: 0.619875441426175
Energy: 0.5502259629420061
Energy: 0.517537438395611
Energy: 0.5502259629414342
Energy: 0.5984595599176239
Energy: 0.5857250548475712
Energy: 0.5753200400922011
Energy: 0.5857250548464276
Energy: 0.6507990227576674
Energy: 0.5754762451453839
Energy: 0.5757956571408847
Energy: 0.5754762451453839
Energy: 0.6148422054245782
Energy: 0.5760649645986347
Energy: 0.6614297836780829
Energy: 0.5760649645986347
Energy: 0.5753362372378794
Energy: 0.5752081180263455
Energy: 0.6147279761097617
Energy: 0.5752081180274893
Energy: 0.5684632821031129
Energy: 0.5764695664938772
Energy: 0.6285712702818341
Energy: 0.5764695664933052
Energy: 0.5525522617922746
Energy: 0.581612055669108
Energy: 0.5787045068207485
Energy: 0.581612055669108
Energy: 0.5838710142701002
Energy: 0.5339259265133041
Energy: 0.5922955239932789
Energy: 0.5339259265127323
Energy: 0.6506206673432668
Energy: 0.6366490126557739
Energy: 0.6353679670429591
Energy: 0.636649012655202

minimum gb energy = 0.517537438395611 eV
minimum distance =  2.5243679574257 Angstroms
sigma value = 73


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

Energy: 0.7074933089315797
Energy: 0.627576140807611
Energy: 0.6272423787356178
Energy: 0.6082663346872522
Energy: 0.5834942499202223
Energy: 0.5463048714250828
Energy: 0.643854080776819
Energy: 0.5463048714250828
Energy: 0.5504960616122134
Energy: 0.5504341489660978
Energy: 0.5953358943027507
Energy: 0.5504341489633758
Energy: 0.5466455357084743
Energy: 0.5472266471962635
Energy: 0.6634602457664195
Energy: 0.547226647198078
Energy: 0.5468924347569489
Energy: 0.5471171136912918
Energy: 0.6744998005674004
Energy: 0.5471171136912918
Energy: 0.5938302622451257
Energy: 0.5467857466088141
Energy: 0.6737535461871159
Energy: 0.5467857466079068
Energy: 0.5885557575717655
Energy: 0.6230832075711087
Energy: 0.6478405251683474
Energy: 0.6230832075711087
Energy: 0.5853919095557356
Energy: 0.6040467898862301
Energy: 0.6236746784646227
Energy: 0.6040467898853228
Energy: 0.5949389109594325
Energy: 0.5869376251512847
Energy: 0.6069295905241459
Energy: 0.5869376251503774
Energy: 0.5398939418585696
Energy: 0.5868607261441369
Energy: 0.6071800589483961
Energy: 0.5868607261459515
Energy: 0.5959405936186507
Energy: 0.5558892729167291
Energy: 0.5649279096854931
Energy: 0.5558892729167291
Energy: 0.5972511029857384
Energy: 0.5990006801385159
Energy: 0.6191304427943877
Energy: 0.5990006801367014
Energy: 0.5955408356173355
Energy: 0.5602575872761676
Energy: 0.5805422100409467
Energy: 0.5602575872752602
Energy: 0.5959900091603143
Energy: 0.5792139229498958
Energy: 0.5793437808292471
Energy: 0.5792139229480813
Energy: 0.6399882568111778
Energy: 0.5576003093748608
Energy: 0.543910002207555
Energy: 0.5576003093739534
Energy: 0.6743670580122757
Energy: 0.5455383660616981
Energy: 0.5448879742950059
Energy: 0.5455383660607908
Energy: 0.6624749541073244
Energy: 0.5450686067162506
Energy: 0.5846309672595078
Energy: 0.5450686067171578
Energy: 0.6440474364712271
Energy: 0.6440310540219671
Energy: 0.5887320503830532
Energy: 0.6440310540237818
Energy: 0.6245430052828594
Energy: 0.5972513261142965
Energy: 0.5870327474621907
Energy: 0.5972513261161113
Energy: 0.5791860062950733
Energy: 0.5624697486205789
Energy: 0.5773705891517084
Energy: 0.5624697486214861
Energy: 0.5989196057178382
Energy: 0.5605491830999316
Energy: 0.5414602902709196
Energy: 0.5605491830999316
Energy: 0.6719296367084824
Energy: 0.6274148513921658
Energy: 0.6278010148890752
Energy: 0.6274148513921658

minimum gb energy = 0.5398939418585696 eV
minimum distance =  2.51232081005213 Angstroms
sigma value = 7


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

Energy: 0.7623022844798767
Energy: 0.6683793851209782
Energy: 0.6708312853052176
Energy: 0.6137874533609575
Energy: 0.5799921753768451
Energy: 0.6017263574290816
Energy: 0.6701508388681875
Energy: 0.6017263574277986
Energy: 0.5344091689941414
Energy: 0.5335000060953498
Energy: 0.5634177630733267
Energy: 0.5335000060966327
Energy: 0.5341447526555171
Energy: 0.5338448498704638
Energy: 0.6565784742273489
Energy: 0.533844849867256
Energy: 0.5718754132142813
Energy: 0.5706164759400958
Energy: 0.6048392075889724
Energy: 0.5706164759368879
Energy: 0.5718892591983433
Energy: 0.5692534775974166
Energy: 0.6062197214312738
Energy: 0.569253477595492
Energy: 0.6773989201607212
Energy: 0.5710102615442629
Energy: 0.5763551687759267
Energy: 0.5710102615423384
Energy: 0.6766115183015792
Energy: 0.5421792252392733
Energy: 0.5712391280797586
Energy: 0.5421792252373486
Energy: 0.6527159953238065
Energy: 0.5340345627943665
Energy: 0.5342018467165685
Energy: 0.534034562795008
Energy: 0.604494497595856
Energy: 0.6018797423687299
Energy: 0.5336063450271438
Energy: 0.6018797423680882
Energy: 0.7096165092592657
Energy: 0.5652367895486907
Energy: 0.5697145518134332
Energy: 0.565236789542275
Energy: 0.6387351001059496
Energy: 0.6388693916099252
Energy: 0.6769708099748033
Energy: 0.638869391608642
Energy: 0.5838267395464447
Energy: 0.5653270135535223
Energy: 0.6540840937326374
Energy: 0.5653270135580134
Energy: 0.5648852009202555
Energy: 0.54984260133912
Energy: 0.5246686351231505
Energy: 0.5498426013378368
Energy: 0.6028004400281796
Energy: 0.552707229919947
Energy: 0.523301055695834
Energy: 0.552707229919947
Energy: 0.7432560266421279
Energy: 0.639070858380498
Energy: 0.6386656765724484
Energy: 0.6390708583785732
Energy: 0.743601694742082
Energy: 0.564450143572241
Energy: 0.6569773648715101
Energy: 0.564450143573524
Energy: 0.533710581695502
Energy: 0.6021161767029622
Energy: 0.5635737365608932
Energy: 0.6021161767055284
Energy: 0.5333317294822771
Energy: 0.5340655093561257
Energy: 0.6957514565078772
Energy: 0.5340655093509932
Energy: 0.5767505945319705
Energy: 0.5419234842332166
Energy: 0.7455033022215987
Energy: 0.5419234842306502
Energy: 0.5705943888316396
Energy: 0.57118125648336
Energy: 0.6031076264462968
Energy: 0.5711812564820768
Energy: 0.6758102085920636
Energy: 0.571059973723589
Energy: 0.5711713820490643
Energy: 0.5710599737255138
Energy: 0.6759973207013462
Energy: 0.5711379414969264
Energy: 0.5737481955736747
Energy: 0.5711379414962848
Energy: 0.6928396850907867
Energy: 0.5332614758689419
Energy: 0.5362243697670994
Energy: 0.5332614758727913
Energy: 0.6037782100978045
Energy: 0.5339590757442796
Energy: 0.5332878008477211
Energy: 0.5339590757404592
Energy: 0.6133014537785233
Energy: 0.6016458888150793
Energy: 0.5759688527928171
Energy: 0.6016458888189288
Energy: 0.6383807451333146
Energy: 0.6407231574267618
Energy: 0.6810461242777872
Energy: 0.6407231574254787
Energy: 0.6046553586811884
Energy: 0.5654105224444722
Energy: 0.5760516785212721
Energy: 0.5654105224361317
Energy: 0.5640298015211838
Energy: 0.55128210172571
Energy: 0.5648091380956302
Energy: 0.5512821017199359
Energy: 0.6034129630268263
Energy: 0.5637999854539056
Energy: 0.5245652487533226
Energy: 0.563799985453264
Energy: 0.742754195949735
Energy: 0.6385779238600038
Energy: 0.6413583509520316
Energy: 0.6385779238587207

minimum gb energy = 0.523301055695834 eV
minimum distance =  2.51992304596903 Angstroms
sigma value = 29


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

Energy: 0.45843277849759934
Energy: 0.6289124545067255
Energy: 0.5484616491181559
Energy: 0.45903512098573646
Energy: 0.6387126347164223
Energy: 0.5181808713213505
Energy: 0.5725028569672608
Energy: 0.5181808713215741
Energy: 0.5476190491486002
Energy: 0.5877936533214687
Energy: 0.46505628267400145
Energy: 0.5877936533223627
Energy: 0.4592729284761263
Energy: 0.46691047901646543
Energy: 0.5729411566381408
Energy: 0.4669104790182284
Energy: 0.5471287047558819
Energy: 0.5480394998064257
Energy: 0.4588268474691137
Energy: 0.5480394998057552
Energy: 0.5729946324161688
Energy: 0.586808576918716
Energy: 0.4587011514893824
Energy: 0.5868085769193864
Energy: 0.4651970326575451
Energy: 0.5872834844628496
Energy: 0.6357473535583396
Energy: 0.5872834844646125
Energy: 0.5724029000397767
Energy: 0.4667839957711185
Energy: 0.4588092598943864
Energy: 0.4667839957711185
Energy: 0.552039132311071
Energy: 0.4670200263806892
Energy: 0.546942894018594
Energy: 0.4670200263806892

minimum gb energy = 0.45843277849759934 eV
minimum distance =  2.58067631242275 Angstroms
sigma value = 5


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

Energy: 0.6785208138192849
Energy: 0.5560633308025146
Energy: 0.6175342268297923
Energy: 0.5395610379103953
Energy: 0.6610656609607171
Energy: 0.4864630349100942
Energy: 0.5845088328019644
Energy: 0.4864630349100942
Energy: 0.5878835264650849
Energy: 0.5236736166478309
Energy: 0.5847805154008988
Energy: 0.5236736166478309
Energy: 0.49584123569732014
Energy: 0.48644077644910666
Energy: 0.6599000728176829
Energy: 0.4864407764497127
Energy: 0.624368454385323
Energy: 0.4878027275207339
Energy: 0.585003193200963
Energy: 0.487802727521946
Energy: 0.5230514911726598
Energy: 0.48792649720613834
Energy: 0.5850943591198319
Energy: 0.48792649720613834
Energy: 0.48704539311465267
Energy: 0.48662016683877246
Energy: 0.6593110348901656
Energy: 0.4866201668369543
Energy: 0.48648007781216335
Energy: 0.4869575854620685
Energy: 0.6735749474395463
Energy: 0.48695758546146245
Energy: 0.6148846721356432
Energy: 0.5540155914396561
Energy: 0.6965891619082337
Energy: 0.5540155914384439
Energy: 0.5864852058642258
Energy: 0.49917793650526693
Energy: 0.49881238970661995
Energy: 0.4991779365058729
Energy: 0.6321631128401886
Energy: 0.47890551514493335
Energy: 0.4808554149140554
Energy: 0.47890551514432733
Energy: 0.6711125430283865
Energy: 0.480514493161357
Energy: 0.47881730797156685
Energy: 0.48051449316196304
Energy: 0.6714892542714943
Energy: 0.47938024604861457
Energy: 0.6432021649350994
Energy: 0.47938024604922064
Energy: 0.6191868147899767
Energy: 0.5531522495396999
Energy: 0.5847037630819063
Energy: 0.5531522495396999
Energy: 0.48825668627174557
Energy: 0.4865532488316567
Energy: 0.5862929345190926
Energy: 0.4865532488322627
Energy: 0.4872312478623152
Energy: 0.4869964581118007
Energy: 0.655342265338211
Energy: 0.48699645811119463
Energy: 0.5249723025529216
Energy: 0.5295132382479697
Energy: 0.4937813289996397
Energy: 0.5295132382473637
Energy: 0.5846118009174234
Energy: 0.4865430557573466
Energy: 0.5996012934773159
Energy: 0.4865430557573466
Energy: 0.5846446662874936
Energy: 0.5254688254296602
Energy: 0.588190664248266
Energy: 0.5254688254296602
Energy: 0.6590890143484057
Energy: 0.486350470626559
Energy: 0.49361654751859313
Energy: 0.486350470627165
Energy: 0.5854667814476086
Energy: 0.48769211583896027
Energy: 0.6224728354103283
Energy: 0.48769211583896027
Energy: 0.5846641955014384
Energy: 0.48751853611225054
Energy: 0.5223235855703248
Energy: 0.4875185361140687
Energy: 0.6403414495927746
Energy: 0.48673902211892867
Energy: 0.48820026120169857
Energy: 0.48673902211892867
Energy: 0.6720213998798646
Energy: 0.48670058945971084
Energy: 0.4864957446535381
Energy: 0.48670058945971084
Energy: 0.6717479494625525
Energy: 0.553950484963369
Energy: 0.6156031719125434
Energy: 0.5539504849645811
Energy: 0.47989986526687056
Energy: 0.4814868293906647
Energy: 0.5864739591954499
Energy: 0.4814868293900586
Energy: 0.48243070687370276
Energy: 0.4791188400900698
Energy: 0.6148746338428793
Energy: 0.4791188400900698
Energy: 0.48219747470876273
Energy: 0.4789640099358016
Energy: 0.493940898549686
Energy: 0.4789640099364076
Energy: 0.643984737649379
Energy: 0.4989719188775384
Energy: 0.6726179296274628
Energy: 0.4989719188775384
Energy: 0.585127973319253
Energy: 0.5533358377051291
Energy: 0.6180441217096685
Energy: 0.5533358377039169
Energy: 0.5843786630708869
Energy: 0.48654886701395506
Energy: 0.48817460379811417
Energy: 0.48654886701516714
Energy: 0.655047699022169
Energy: 0.4869906267475415
Energy: 0.48952401495889963
Energy: 0.4869906267475415
Energy: 0.49557989335141556
Energy: 0.5267337905771107
Energy: 0.5234730068008266
Energy: 0.5267337905777167

minimum gb energy = 0.47881730797156685 eV
minimum distance =  2.53765942946736 Angstroms
sigma value = 1


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

Energy: 0.7269744303213385
Energy: 0.4702585524658968
Energy: 0.6001393580690139
Energy: 0.46740302267312783
Energy: 0.6699082727045598
Energy: 0.4630912461741226
Energy: 0.5931805760508572
Energy: 0.4630912461732847
Energy: 0.5920627205413349
Energy: 0.5121735073640008
Energy: 0.591117202322673
Energy: 0.5121735073656767
Energy: 0.47150121710383586
Energy: 0.4630543864526318
Energy: 0.6709192631125084
Energy: 0.46305438645512664
Energy: 0.6129897384802403
Energy: 0.4709007784204565
Energy: 0.5909577320585337
Energy: 0.47090077842213246
Energy: 0.5042533030040468
Energy: 0.470128161832871
Energy: 0.591567991700037
Energy: 0.470128161832871
Energy: 0.46321431217064285
Energy: 0.4625061260245989
Energy: 0.6702098490163965
Energy: 0.462506126022923
Energy: 0.46341907774694463
Energy: 0.4630102807226354
Energy: 0.703640389714665
Energy: 0.4630102807217974
Energy: 0.6698728211031177
Energy: 0.494810823581158
Energy: 0.7048341089298986
Energy: 0.49481082358367195
Energy: 0.59920261944627
Energy: 0.4632446584297152
Energy: 0.4632478671833024
Energy: 0.4632446584297152
Energy: 0.6703072768871995
Energy: 0.46272995543834
Energy: 0.46302650499225195
Energy: 0.46272995543834
Energy: 0.7029647724667678
Energy: 0.4637242788621784
Energy: 0.46999686702471416
Energy: 0.4637242788613404
Energy: 0.7029303659877185
Energy: 0.5019683240954963
Energy: 0.524001635293251
Energy: 0.5019683240954963
Energy: 0.6505690070626788
Energy: 0.46309661231884214
Energy: 0.5919759259659495
Energy: 0.46309661231716626
Energy: 0.4698381004501342
Energy: 0.5112971030866597
Energy: 0.5927702358717702
Energy: 0.5112971030874975
Energy: 0.46953206407339887
Energy: 0.46308826357340577
Energy: 0.6696645013189352
Energy: 0.4630882635750817
Energy: 0.5269748849786743
Energy: 0.50219425484629
Energy: 0.5906997606601769
Energy: 0.502194254844614
Energy: 0.471142902963433
Energy: 0.46305920895984576
Energy: 0.668340195164958
Energy: 0.46305920895984576
Energy: 0.4633856215926136
Energy: 0.46301802776373774
Energy: 0.7054448240256739
Energy: 0.4630180277645756
Energy: 0.4650689992783376
Energy: 0.48392986084641626
Energy: 0.7037306911907937
Energy: 0.48392986084641626
Energy: 0.5916335199434223
Energy: 0.49557053579348354
Energy: 0.6711545451890696
Energy: 0.49557053579432153
Energy: 0.5901813050959472
Energy: 0.4632411995631184
Energy: 0.46353471504385296
Energy: 0.46324119956479426
Energy: 0.650565138496907
Energy: 0.462651718769888
Energy: 0.46388627643068037
Energy: 0.46265171876905
Energy: 0.7029140558039004
Energy: 0.5019698149167494
Energy: 0.5013199120793774
Energy: 0.5019698149175874

minimum gb energy = 0.462506126022923 eV
minimum distance =  2.54442953966743 Angstroms
sigma value = 17


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

Energy: 0.7882644552580415
Energy: 0.5063711111794083
Energy: 0.6184440558108198
Energy: 0.5020238886801525
Energy: 0.5541886028718165
Energy: 0.4626427588150349
Energy: 0.5487991717986445
Energy: 0.4626427588150349
Energy: 0.6217018189681152
Energy: 0.5513419981581673
Energy: 0.5453290386529088
Energy: 0.551341998159203
Energy: 0.6193721376165457
Energy: 0.4887819390856428
Energy: 0.5067748198928244
Energy: 0.4887819390866788
Energy: 0.6943520056144005
Energy: 0.45732499447696096
Energy: 0.6840934045842756
Energy: 0.45732499447799685
Energy: 0.47337457906755037
Energy: 0.4574226498714076
Energy: 0.6890252740852953
Energy: 0.4574226498729614
Energy: 0.45826589995003625
Energy: 0.4568859171522851
Energy: 0.5071956266568246
Energy: 0.4568859171522851
Energy: 0.4643350077079246
Energy: 0.46919932872138354
Energy: 0.7531652232206526
Energy: 0.4691993287198297
Energy: 0.6892267142137397
Energy: 0.4575745009863086
Energy: 0.7007214824067991
Energy: 0.4575745009863086
Energy: 0.5440055863379056
Energy: 0.48985626944121524
Energy: 0.55250708756575
Energy: 0.48985626944121524
Energy: 0.6913841762887529
Energy: 0.462748024789117
Energy: 0.467183908007713
Energy: 0.46274802478756316
Energy: 0.687621771277467
Energy: 0.463015262029143
Energy: 0.5797708926193488
Energy: 0.46301526202862503
Energy: 0.6864579373901981
Energy: 0.5032831410049697
Energy: 0.49502504396862856
Energy: 0.5032831410049697
Energy: 0.6321246940290853
Energy: 0.46259696019704716
Energy: 0.4648510690559447
Energy: 0.46259696019601126
Energy: 0.6180710516854115
Energy: 0.46343803983097365
Energy: 0.46704832621326137
Energy: 0.46343803982941995
Energy: 0.7492710407601973
Energy: 0.46245297345225117
Energy: 0.6911293573502167
Energy: 0.46245297345173325
Energy: 0.46339996035744907
Energy: 0.5517101810597668
Energy: 0.7066786620562117
Energy: 0.5517101810597668
Energy: 0.46537090530203734
Energy: 0.46287128197197236
Energy: 0.7239934658663109
Energy: 0.46287128197041855
Energy: 0.4788449532150476
Energy: 0.463111955555448
Energy: 0.6980400288653136
Energy: 0.4631119555559659
Energy: 0.61047430302576
Energy: 0.5067357153417874
Energy: 0.7889458007367
Energy: 0.5067357153412695
Energy: 0.5468344886924915
Energy: 0.46262285053010627
Energy: 0.628156516623873
Energy: 0.46262285053010627
Energy: 0.5470063415388358
Energy: 0.5517750445195376
Energy: 0.6191569351349183
Energy: 0.5517750445195376
Energy: 0.504473199512109
Energy: 0.4878130961121741
Energy: 0.6178133176390217
Energy: 0.487813096112692
Energy: 0.6945675508301947
Energy: 0.4692137411412625
Energy: 0.5803561338946465
Energy: 0.4692137411427692
Energy: 0.6874593804626341
Energy: 0.4574334211119598
Energy: 0.4708260535269756
Energy: 0.45743342111299556
Energy: 0.5600063913670594
Energy: 0.45709103744405954
Energy: 0.4593164465876859
Energy: 0.4570910374430237
Energy: 0.7888071265088579
Energy: 0.4693860078725784
Energy: 0.4580286688110038
Energy: 0.4693860078720605
Energy: 0.6960703684799806
Energy: 0.4892824532096851
Energy: 0.6883294609692959
Energy: 0.48928245320864927
Energy: 0.5524682900069636
Energy: 0.48836232682252595
Energy: 0.5480042185800226
Energy: 0.48836232682097214
Energy: 0.46812583835014054
Energy: 0.4627004252436302
Energy: 0.6918426795354651
Energy: 0.4627004252436302
Energy: 0.5826960560597034
Energy: 0.4631363947006195
Energy: 0.6852220849678556
Energy: 0.4631363946995836
Energy: 0.49304762388734424
Energy: 0.476621608182058
Energy: 0.6849087554167064
Energy: 0.4766216081805042
Energy: 0.4630961271765195
Energy: 0.46259937811585367
Energy: 0.6898611647958541
Energy: 0.46259937811585367
Energy: 0.46288701622001527
Energy: 0.4633410743553673
Energy: 0.6187737303347224
Energy: 0.46334107435484945
Energy: 0.6918252386777806
Energy: 0.4623482189880616
Energy: 0.7483580140065692
Energy: 0.46234821898702577
Energy: 0.7043779043133763
Energy: 0.462931266621612
Energy: 0.4634660438229406
Energy: 0.462931266621612
Energy: 0.7228817992614206
Energy: 0.4627843264782764
Energy: 0.4636021933839922
Energy: 0.46278432648034806
Energy: 0.6260069776364414
Energy: 0.46334202664198565
Energy: 0.5029345248733812
Energy: 0.4633420266414677

minimum gb energy = 0.4568859171522851 eV
minimum distance =  2.52005347667422 Angstroms
sigma value = 89


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

Energy: 0.8363408981901085
Energy: 0.4150470166434399
Energy: 0.41567484907019475
Energy: 0.4510545189162115
Energy: 0.5989874526738335
Energy: 0.4588764187205058
Energy: 0.591981630040173
Energy: 0.4588764187205058
Energy: 0.41173284872032817
Energy: 0.4596626684606308
Energy: 0.5993266088448124
Energy: 0.4596626684606308
Energy: 0.4144271339729265
Energy: 0.45842523921028383
Energy: 0.5992338583597274
Energy: 0.45842523921028383
Energy: 0.4748197174860096
Energy: 0.4155310924514437
Energy: 0.5972596859032011
Energy: 0.4155310924514437
Energy: 0.4154363013338214
Energy: 0.41572400694659206
Energy: 0.5968234689469146
Energy: 0.4157240069452369
Energy: 0.4160418007215717
Energy: 0.4149460586431552
Energy: 0.5988363590196271
Energy: 0.4149460586431552
Energy: 0.4153164026957887
Energy: 0.415472722724668
Energy: 0.7666926953578417
Energy: 0.41547272272331287
Energy: 0.5922672567675137
Energy: 0.4152501813710331
Energy: 0.7685630690396557
Energy: 0.4152501813710331
Energy: 0.6001083411135105
Energy: 0.4587968228832241
Energy: 0.5989451122002896
Energy: 0.4587968228832241
Energy: 0.5914042575880277
Energy: 0.45846343407290485
Energy: 0.4115747825019729
Energy: 0.45846343407290485
Energy: 0.5970956801359817
Energy: 0.41540952359871075
Energy: 0.5993567041821336
Energy: 0.41540952359871075
Energy: 0.5983681548660468
Energy: 0.4158630360890132
Energy: 0.41532901261897887
Energy: 0.4158630360890132
Energy: 0.773691048264516
Energy: 0.4148677342963018
Energy: 0.4148850616381787
Energy: 0.4148677342963018
Energy: 0.7667482336261258
Energy: 0.4155505978410055
Energy: 0.41526124825149296
Energy: 0.4155505978410055

minimum gb energy = 0.4115747825019729 eV
minimum distance =  2.56215703719515 Angstroms
sigma value = 13


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

Energy: 0.7466308272847122
Energy: 0.40629926740042027
Energy: 0.409822072556703
Energy: 0.44179343902895213
Energy: 0.6520120560992706
Energy: 0.40642829858164686
Energy: 0.49803949049776913
Energy: 0.40642829858164686
Energy: 0.7184919828861375
Energy: 0.4063530968085869
Energy: 0.49574312112601726
Energy: 0.4063530968119949
Energy: 0.5694961105820706
Energy: 0.40656127399654823
Energy: 0.5946992455710155
Energy: 0.4065612739914363
Energy: 0.5955521697503775
Energy: 0.40617550320890405
Energy: 0.651802535629223
Energy: 0.4061755032106081
Energy: 0.49656187529119106
Energy: 0.4063054420407238
Energy: 0.6492550881688035
Energy: 0.40630544203845176
Energy: 0.49677446840571465
Energy: 0.406260190144291
Energy: 0.6418141106001232
Energy: 0.40626019014656295
Energy: 0.49475827188577837
Energy: 0.40694689598369344
Energy: 0.7780726350863469
Energy: 0.4069468959859655
Energy: 0.40688730133990736
Energy: 0.4068303447321241
Energy: 0.7746123934532612
Energy: 0.4068303447366423
Energy: 0.40880898572829993
Energy: 0.40673317528327346
Energy: 0.7745329570358153
Energy: 0.4067331752827055
Energy: 0.40693548077949504
Energy: 0.4067391043294907
Energy: 0.7463700376620958
Energy: 0.40673910433119465
Energy: 0.6499617005039494
Energy: 0.429650968879273
Energy: 0.7744401419918138
Energy: 0.42965096887813703
Energy: 0.6525682505501675
Energy: 0.42828538510269415
Energy: 0.6509269607168715
Energy: 0.42828538510042213
Energy: 0.6440559937367524
Energy: 0.4300265753276581
Energy: 0.5781708096785848
Energy: 0.4300265753304981
Energy: 0.7788524696876216
Energy: 0.40682577587355956
Energy: 0.5932571831495993
Energy: 0.40682577587299157
Energy: 0.7775646923450673
Energy: 0.4070022208795539
Energy: 0.4067605800494564
Energy: 0.40700222087841786
Energy: 0.6429175941782435
Energy: 0.406705481230813
Energy: 0.40934656030998656
Energy: 0.406705481229677
Energy: 0.7488384731909037
Energy: 0.40675763312965085
Energy: 0.4218840062630482
Energy: 0.4067576331279468
Energy: 0.8301480620091809
Energy: 0.40693382872965883
Energy: 0.5130226107555083
Energy: 0.4069338287307948
Energy: 0.7756092229978858
Energy: 0.4062571122104177
Energy: 0.49027542747217695
Energy: 0.40625711221212163
Energy: 0.5676128232191575
Energy: 0.40691825566528483
Energy: 0.5091510447125991
Energy: 0.40691825565846884
Energy: 0.7757352137597583
Energy: 0.4059535069029306
Energy: 0.649676443731347
Energy: 0.4059535069069066
Energy: 0.49536826828857117
Energy: 0.4063586155121712
Energy: 0.6523353962360234
Energy: 0.4063586155116031
Energy: 0.4102297928878202
Energy: 0.406162449470689
Energy: 0.7670920716469868
Energy: 0.406162449470689
Energy: 0.4948941686309467
Energy: 0.4068607498380536
Energy: 0.7812917968937775
Energy: 0.40686074983918963
Energy: 0.4255458096423107
Energy: 0.40703053709227444
Energy: 0.7763847999599375
Energy: 0.4070305370928424
Energy: 0.4068697260479026
Energy: 0.4065254116877315
Energy: 0.7767915323541694
Energy: 0.40652541168886747
Energy: 0.4067772618340438
Energy: 0.40689729597363183
Energy: 0.7293193598544083
Energy: 0.4068972959719278
Energy: 0.6506734241015975
Energy: 0.4070111080920554
Energy: 0.8304648333301381
Energy: 0.4070111080914874
Energy: 0.48939900607106573
Energy: 0.43015619410920686
Energy: 0.6513782986096035
Energy: 0.43015619410920686
Energy: 0.6437875575996568
Energy: 0.4325335982753075
Energy: 0.5678124448981325
Energy: 0.43253359827644344
Energy: 0.7771191342325
Energy: 0.40675970912306214
Energy: 0.6520377638131015
Energy: 0.40675970912022213
Energy: 0.7793471533643701
Energy: 0.4070107669159
Energy: 0.4066363416164366
Energy: 0.407010766911356
Energy: 0.8204178074963552
Energy: 0.40664590196165257
Energy: 0.4070949407757999
Energy: 0.40664590196222056
Energy: 0.8284092596205563
Energy: 0.4072349767141574
Energy: 0.421912180036922
Energy: 0.4072349767084774

minimum gb energy = 0.4059535069029306 eV
minimum distance =  2.54713039765728 Angstroms
sigma value = 37


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

Energy: 0.7262925463744047
Energy: 0.3871691411175268
Energy: 0.38707587920956116
Energy: 0.4331533800544468
Energy: 0.7493735301939489
Energy: 0.38711161012783885
Energy: 0.5298458379808826
Energy: 0.38711161012783885
Energy: 0.6988832381746396
Energy: 0.3880316378674095
Energy: 0.5288772085086935
Energy: 0.38803163786838674
Energy: 0.6984029424889998
Energy: 0.43059865020833854
Energy: 0.6003376422062837
Energy: 0.43059865020833854
Energy: 0.6710916203561641
Energy: 0.3823132423811438
Energy: 0.5849449622494022
Energy: 0.38231324237918934
Energy: 0.45028143529375037
Energy: 0.3816270389314102
Energy: 0.7581384168612237
Energy: 0.381627038930433
Energy: 0.4400199069064016
Energy: 0.3821755732045114
Energy: 0.6335905084405891
Energy: 0.3821755732054886
Energy: 0.5121297515993504
Energy: 0.38159101800604417
Energy: 0.7950822983939896
Energy: 0.38159101800604417
Energy: 0.43943243806100724
Energy: 0.38164413639398354
Energy: 0.7960407769344514
Energy: 0.38164413639398354
Energy: 0.43909652261577575
Energy: 0.3692876142647119
Energy: 0.842291134567234
Energy: 0.3692876142647119
Energy: 0.4737372636805286
Energy: 0.47420172689991424
Energy: 0.6472096847339979
Energy: 0.47420172690089146
Energy: 0.5768122515097442
Energy: 0.36942474682591875
Energy: 0.8419431918901914
Energy: 0.36942474682494153
Energy: 0.5873222327756904
Energy: 0.3821467493879468
Energy: 0.6988257509549148
Energy: 0.3821467493869696
Energy: 0.6718296880887488
Energy: 0.424801414113237
Energy: 0.6987062898827829
Energy: 0.42480141411421424
Energy: 0.5849449622494022
Energy: 0.42501276643468733
Energy: 0.6465483397308239
Energy: 0.42501276643371017
Energy: 0.7490641081123973
Energy: 0.42527642407253213
Energy: 0.4399763769273719
Energy: 0.42527642407448657
Energy: 0.6701716780964866
Energy: 0.4891539172288182
Energy: 0.4400517851875307
Energy: 0.4891539172297954
Energy: 0.7950822983939896
Energy: 0.38774114522564285
Energy: 0.4779878823617391
Energy: 0.38774114522564285
Energy: 0.7960407769344514
Energy: 0.38741958061389903
Energy: 0.387215434119112
Energy: 0.38741958061389903
Energy: 0.8019389442406574
Energy: 0.3874066826086267
Energy: 0.38737447084832183
Energy: 0.3874066826086267

minimum gb energy = 0.3692876142647119 eV
minimum distance =  2.53428830302459 Angstroms
sigma value = 25


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

Energy: 0.7709893525212043
Energy: 0.3428790523204056
Energy: 0.3430878254706127
Energy: 0.38427126546322343
Energy: 0.8124616551494097
Energy: 0.34315418452212837
Energy: 0.4568826160277667
Energy: 0.34315418452212837
Energy: 0.7202534468687344
Energy: 0.34297792781925424
Energy: 0.45547709941045017
Energy: 0.3429779278184912
Energy: 0.5446086191673658
Energy: 0.344611552415862
Energy: 0.6302876022181086
Energy: 0.34461155241509894
Energy: 0.7327772085724736
Energy: 0.3770640318318268
Energy: 0.6442355749390223
Energy: 0.3770640318310637
Energy: 0.5637221171562515
Energy: 0.37618871432847006
Energy: 0.6434472035943106
Energy: 0.37618871432847006
Energy: 0.5621044223387849
Energy: 0.4556466273746965
Energy: 0.7342444233428824
Energy: 0.4556466273746965
Energy: 0.629225792595129
Energy: 0.3444402490433178
Energy: 0.6374354431323406
Energy: 0.3444402490440808
Energy: 0.4554384990926791
Energy: 0.3429167035238765
Energy: 0.8131730995918418
Energy: 0.34291670352311343
Energy: 0.4570835030796469
Energy: 0.3432840741166968
Energy: 0.8121357508465679
Energy: 0.3432840741174599
Energy: 0.3428120886492158
Energy: 0.34337012135344297
Energy: 0.6575622125589025
Energy: 0.3433701213526799
Energy: 0.34387184751515154
Energy: 0.3428902424553349
Energy: 0.8121664813223363
Energy: 0.3428902424553349
Energy: 0.3435493081471728
Energy: 0.3429212025234979
Energy: 0.902923154874939
Energy: 0.3429212025234979
Energy: 0.44379371344916463
Energy: 0.3435197708214055
Energy: 0.719845571262649
Energy: 0.3435197708214055
Energy: 0.4548032250207724
Energy: 0.3429759336975719
Energy: 0.7337630045850881
Energy: 0.3429759336968088
Energy: 0.45725275497895834
Energy: 0.3430396440318723
Energy: 0.7211363453670868
Energy: 0.3430396440326354
Energy: 0.6309678084619132
Energy: 0.34364933775036993
Energy: 0.7203914435487964
Energy: 0.3436493377496068
Energy: 0.4441106783205659
Energy: 0.37672763747202737
Energy: 0.7322869416353486
Energy: 0.3767276374705012
Energy: 0.6445344961337945
Energy: 0.376218171919111
Energy: 0.5626185450922894
Energy: 0.376218171919111
Energy: 0.8126612541390476
Energy: 0.45622664113333755
Energy: 0.5632289543328491
Energy: 0.4562266411325745
Energy: 0.6575969412558783
Energy: 0.3445165996520152
Energy: 0.4431997349167994
Energy: 0.3445165996520152
Energy: 0.8123319357835719
Energy: 0.3429603239312083
Energy: 0.3441920077877855
Energy: 0.34296032393044523
Energy: 0.8114173634855708
Energy: 0.343423118606428
Energy: 0.4554902735530779
Energy: 0.343423118606428
Energy: 0.6582128057798454
Energy: 0.34352751167176854
Energy: 0.3429986401889711
Energy: 0.34352751167176854
Energy: 0.8134394472965714
Energy: 0.34276504586768103
Energy: 0.34370039591296236
Energy: 0.3427650458684441
Energy: 0.720840140922972
Energy: 0.3430713295317137
Energy: 0.3430366029799404
Energy: 0.3430713295317137

minimum gb energy = 0.34276504586768103 eV
minimum distance =  2.5592280702946 Angstroms
sigma value = 41


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

Energy: 0.8524897134398088
Energy: 0.31976958312551856
Energy: 0.3200552623074933
Energy: 0.3558986024759054
Energy: 0.8625065463092367
Energy: 0.32013288573793525
Energy: 0.4140301920164955
Energy: 0.3201328857373096
Energy: 0.7825232545919892
Energy: 0.3196501249900004
Energy: 0.39939537708927614
Energy: 0.3196501249887492
Energy: 0.6552202873118831
Energy: 0.31980492213829304
Energy: 0.5514163814596418
Energy: 0.31980492213891865
Energy: 0.7912113467182392
Energy: 0.4197231658852629
Energy: 0.5690968780556096
Energy: 0.4197231658852629
Energy: 0.6315383083093112
Energy: 0.511224099726445
Energy: 0.5683648594351602
Energy: 0.511224099726445
Energy: 0.6337827948403985
Energy: 0.4252147897905577
Energy: 0.7120655222279758
Energy: 0.4252147897911834
Energy: 0.6444367849988051
Energy: 0.4246345493484337
Energy: 0.5678661560932724
Energy: 0.4246345493490593
Energy: 0.4990469063994436
Energy: 0.42091042918383154
Energy: 0.7086230884083605
Energy: 0.42091042918445715
Energy: 0.5026530112543827
Energy: 0.420124943155004
Energy: 0.8624420735014987
Energy: 0.42012494315437826
Energy: 0.4008045501637214
Energy: 0.32016601546153495
Energy: 0.752909261437695
Energy: 0.32016601546153495
Energy: 0.41179517017357053
Energy: 0.319537236468461
Energy: 0.8621868130911962
Energy: 0.31953723646783544
Energy: 0.402807815901218
Energy: 0.3204771593239989
Energy: 0.8623869634027719
Energy: 0.3204771593239989
Energy: 0.32016006134590147
Energy: 0.32030971040059525
Energy: 0.7076151036879526
Energy: 0.3203097104012209
Energy: 0.3218886118998357
Energy: 0.3205366916238895
Energy: 0.864693692882032
Energy: 0.32053669162451504
Energy: 0.32073437768555996
Energy: 0.32043735522367417
Energy: 0.7836184795969362
Energy: 0.32043735522367417
Energy: 0.4016288444050006
Energy: 0.32064824707114004
Energy: 0.7865078404118667
Energy: 0.3206482470705145
Energy: 0.40022518782120003
Energy: 0.32015153312906947
Energy: 0.7911200704120837
Energy: 0.32015153312906947
Energy: 0.40400724749787653
Energy: 0.3199003178155333
Energy: 0.6328314161103273
Energy: 0.3199003178155333
Energy: 0.558192917187608
Energy: 0.3201510828261928
Energy: 0.6312519536242953
Energy: 0.3201510828255672
Energy: 0.5662636707117389
Energy: 0.41950240576306186
Energy: 0.7045003374661377
Energy: 0.4195024057643131
Energy: 0.5585440699015091
Energy: 0.42544340322155566
Energy: 0.6354200762387995
Energy: 0.4254434032221814
Energy: 0.7085434737749693
Energy: 0.5106034427203123
Energy: 0.6321743489702633
Energy: 0.510603442720938
Energy: 0.5578038369262882
Energy: 0.42451148846237025
Energy: 0.5581357922026224
Energy: 0.42451148846237025
Energy: 0.7085757146533694
Energy: 0.42170778615512916
Energy: 0.4787613823026921
Energy: 0.42170778615700594
Energy: 0.7080474660394898
Energy: 0.42006388330320604
Energy: 0.5569117805391193
Energy: 0.4200638833038316
Energy: 0.7107936673888658
Energy: 0.3202868126025486
Energy: 0.40406235896639103
Energy: 0.3202868126031742
Energy: 0.7925264137902377
Energy: 0.3221460765385201
Energy: 0.39925197365092424
Energy: 0.3221460765366433
Energy: 0.7098866735207693
Energy: 0.320717445307806
Energy: 0.40070686301950864
Energy: 0.320717445307806
Energy: 0.7085181970556681
Energy: 0.32043463590927335
Energy: 0.32044322208007214
Energy: 0.32043463590927335
Energy: 0.8645989405032602
Energy: 0.32041823187317126
Energy: 0.321419935182382
Energy: 0.3204182318737968
Energy: 0.7819138217258801
Energy: 0.3204450875887691
Energy: 0.3206514167978413
Energy: 0.3204450875887691

minimum gb energy = 0.31953723646783544 eV
minimum distance =  2.55797791142552 Angstroms
sigma value = 15


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

Energy: 0.7342195208881096
Energy: 0.3008685268649097
Energy: 0.30430307680370505
Energy: 0.3325776943488222
Energy: 0.8993975498118641
Energy: 0.30071932689938907
Energy: 0.367159872133142
Energy: 0.3007193268988591
Energy: 0.8300738059073287
Energy: 0.3023130039705885
Energy: 0.3726954973956295
Energy: 0.3023130039705885
Energy: 0.6992562168105163
Energy: 0.30195356440892784
Energy: 0.4970616649397951
Energy: 0.30195356440521803
Energy: 0.8361191822674716
Energy: 0.38895886477797287
Energy: 0.5117906726504091
Energy: 0.3889588647774429
Energy: 0.6935348999106665
Energy: 0.46984477635608113
Energy: 0.5132478695955001
Energy: 0.46984477635608113
Energy: 0.5667127321129575
Energy: 0.3866492953030297
Energy: 0.6356798706876984
Energy: 0.3866492953035597
Energy: 0.7040818938514756
Energy: 0.4753609046579781
Energy: 0.5051739646459773
Energy: 0.4753609046574482
Energy: 0.5659827643883095
Energy: 0.4742180368204861
Energy: 0.63228451016646
Energy: 0.4742180368199561
Energy: 0.5657555759035532
Energy: 0.4744124203811419
Energy: 0.7640662547880698
Energy: 0.47441242038061193
Energy: 0.5056848648001017
Energy: 0.38738202938627
Energy: 0.6544166303754748
Energy: 0.38738202938627
Energy: 0.43527364373302485
Energy: 0.3882797535699019
Energy: 0.7644621067326527
Energy: 0.38827975356937194
Energy: 0.5017074641887481
Energy: 0.38757111860325105
Energy: 0.7619394161996499
Energy: 0.387571118603781
Energy: 0.3699692798592999
Energy: 0.3013470373999171
Energy: 0.6386594618669911
Energy: 0.30134703740044705
Energy: 0.36797642987389445
Energy: 0.3019362870249676
Energy: 0.9004651836079909
Energy: 0.3019362870244376
Energy: 0.3722078739682692
Energy: 0.3013512676500429
Energy: 0.7637198917936168
Energy: 0.3013512676495129
Energy: 0.3010245330988923
Energy: 0.30153594088727353
Energy: 0.7661895737831608
Energy: 0.30153594088674357
Energy: 0.3010216333692418
Energy: 0.3009938006868887
Energy: 0.8361609990356116
Energy: 0.30099380068900866
Energy: 0.3015408584212716
Energy: 0.3013631837694667
Energy: 0.6955934152175463
Energy: 0.30136318376840676
Energy: 0.37291868389797966
Energy: 0.3011912093626976
Energy: 0.8326887744928883
Energy: 0.3011912093605777
Energy: 0.36629255722078874
Energy: 0.3023105451061466
Energy: 0.902123095683145
Energy: 0.3023105451061466
Energy: 0.3734976266641893
Energy: 0.30160522468231366
Energy: 0.6979972121258622
Energy: 0.30160522468231366
Energy: 0.5022047631732702
Energy: 0.38725264175028123
Energy: 0.6941394777576444
Energy: 0.3872526417524012
Energy: 0.5030113307246802
Energy: 0.3881048282151314
Energy: 0.7663990201444678
Energy: 0.38810482821301157
Energy: 0.49932153502743903
Energy: 0.30202250308853484
Energy: 0.5751455046001314
Energy: 0.3020225030890648
Energy: 0.630169981735062
Energy: 0.47470584440311014
Energy: 0.7642430502940939
Energy: 0.4747058444025801
Energy: 0.5024560953344184
Energy: 0.47409840719929464
Energy: 0.6340326544057165
Energy: 0.47409840719929464
Energy: 0.6273432590987671
Energy: 0.4764215271543555
Energy: 0.5772595137228065
Energy: 0.4764215271554154
Energy: 0.631082128311841
Energy: 0.38678918707952564
Energy: 0.6298865426410446
Energy: 0.38678918707846566
Energy: 0.6300889603513896
Energy: 0.3869035975662198
Energy: 0.515008129619671
Energy: 0.38690359756515996
Energy: 0.8358161124925041
Energy: 0.38916321284093786
Energy: 0.43552340529993405
Energy: 0.38916321284199784
Energy: 0.6330887140629184
Energy: 0.30108908853660804
Energy: 0.4997460455884272
Energy: 0.301089088537138
Energy: 0.7619841755146874
Energy: 0.3029156471506669
Energy: 0.3834739373135395
Energy: 0.30291564715013697
Energy: 0.8359945216188721
Energy: 0.30066800724610965
Energy: 0.3822371171781865
Energy: 0.30066800724716963
Energy: 0.7642095608270517
Energy: 0.30114907935775076
Energy: 0.4321759452578803
Energy: 0.3011490793572208
Energy: 0.8984967452657678
Energy: 0.3012209941548967
Energy: 0.30500681289959414
Energy: 0.3012209941548967
Energy: 0.8293263389149744
Energy: 0.3013145234217131
Energy: 0.30548057489638714
Energy: 0.30131452342118314

minimum gb energy = 0.30066800724610965 eV
minimum distance =  2.55340465620208 Angstroms
sigma value = 85


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

Energy: 0.8199533308247906
Energy: 0.2743986709132466
Energy: 0.2744145093448222
Energy: 0.3337320473314309
Energy: 0.9172712161366992
Energy: 0.2744036793359071
Energy: 0.3309278112083848
Energy: 0.27440367933634585
Energy: 0.7626539989415492
Energy: 0.274504442741186
Energy: 0.33106432142400904
Energy: 0.2745044427430246
Energy: 0.6431426571074329
Energy: 0.2745042434198618
Energy: 0.4444469584347136
Energy: 0.2745042434194021
Energy: 0.861877759153329
Energy: 0.35153368574236343
Energy: 0.45292629911421417
Energy: 0.3515336857428231
Energy: 0.6434216793887471
Energy: 0.35180418339200564
Energy: 0.45347064457344777
Energy: 0.3518041833938442
Energy: 0.6457154083185729
Energy: 0.35168809959797664
Energy: 0.558288117011712
Energy: 0.35168809959841535
Energy: 0.7489367957346704
Energy: 0.42944760671736143
Energy: 0.4786589430118279
Energy: 0.42944760671736143
Energy: 0.6450350731406201
Energy: 0.4352239962221578
Energy: 0.5607124414297097
Energy: 0.4352239962226175
Energy: 0.6444169444196565
Energy: 0.43201609210608694
Energy: 0.675659157450843
Energy: 0.43201609210516767
Energy: 0.5558914399246486
Energy: 0.431689968417221
Energy: 0.6071371829844869
Energy: 0.43168996841584206
Energy: 0.5328001158946348
Energy: 0.4291417311377342
Energy: 0.6757728466517384
Energy: 0.4291417311381938
Energy: 0.5634071543069281
Energy: 0.4290304741800018
Energy: 0.7034992304727088
Energy: 0.4290304741795422
Energy: 0.4469487196568865
Energy: 0.27491497335083837
Energy: 0.5903154866335177
Energy: 0.27491497335083837
Energy: 0.41722018545994827
Energy: 0.32085051771384576
Energy: 0.7961821313129411
Energy: 0.3208505177133861
Energy: 0.4467711661142256
Energy: 0.3211044812921092
Energy: 0.7024327471739373
Energy: 0.32110448129302854
Energy: 0.33288332076944016
Energy: 0.3142031338737795
Energy: 0.7020586408967119
Energy: 0.31420313387515847
Energy: 0.3319662817442636
Energy: 0.31445912505912876
Energy: 0.8310665786622748
Energy: 0.3144591250605077
Energy: 0.33282907249530497
Energy: 0.2747872751536658
Energy: 0.8229147180954358
Energy: 0.2747872751541255
Energy: 0.3016831856539107
Energy: 0.2744348839765406
Energy: 0.822878404005104
Energy: 0.2744348839774599
Energy: 0.3020799067347153
Energy: 0.2727554275545821
Energy: 0.9484991073669841
Energy: 0.2727554275555014
Energy: 0.302932049776683
Energy: 0.27373248019417606
Energy: 0.7310004238184867
Energy: 0.27373248019279706
Energy: 0.3751709087739738
Energy: 0.27286863279648443
Energy: 0.8547638456828413
Energy: 0.27286863279510554
Energy: 0.3583220276490134
Energy: 0.2744478333246058
Energy: 0.8560090484059518
Energy: 0.27444783332414624
Energy: 0.36218783598229454
Energy: 0.2745974552179726
Energy: 0.6751988005796132
Energy: 0.2745974552170533
Energy: 0.4488490925164241
Energy: 0.38795688307786275
Energy: 0.8854604223678285
Energy: 0.38795688307464515
Energy: 0.44875859640326743
Energy: 0.38796344119122717
Energy: 0.7644502989992694
Energy: 0.38796344119122717
Energy: 0.5590781762454063
Energy: 0.38849901462106007
Energy: 0.6437188433498549
Energy: 0.38849901462106007
Energy: 0.5635732776194764
Energy: 0.40264391878960704
Energy: 0.7756824448797737
Energy: 0.4026439187905263
Energy: 0.5634958964589681
Energy: 0.40249629603392223
Energy: 0.6450330238611072
Energy: 0.40249629603346254
Energy: 0.6741384154723187
Energy: 0.4055664768867018
Energy: 0.5327004666140642
Energy: 0.40556647688486314
Energy: 0.5865126538472776
Energy: 0.4311034600745029
Energy: 0.6753695245873637
Energy: 0.43110346007496253
Energy: 0.6776927737128101
Energy: 0.4294645233903759
Energy: 0.5318528130038247
Energy: 0.4294645233908355
Energy: 0.7980759658161273
Energy: 0.4294565341108141
Energy: 0.5315108313280721
Energy: 0.4294565341085158
Energy: 0.6065557715245341
Energy: 0.3515968690367173
Energy: 0.5755807398279603
Energy: 0.3515968690367173
Energy: 0.7976336496720533
Energy: 0.351776194361869
Energy: 0.4487985408727292
Energy: 0.3517761943600305
Energy: 0.8239785932783719
Energy: 0.3513831673735603
Energy: 0.4484555994419143
Energy: 0.3513831673708025
Energy: 0.7021689674403615
Energy: 0.27466870600385646
Energy: 0.33433624801542045
Energy: 0.2746687060001793
Energy: 0.9176222851694412
Energy: 0.2745290195704352
Energy: 0.33228866762921005
Energy: 0.27452901957089487
Energy: 0.8242556196385974
Energy: 0.27487809491633125
Energy: 0.33423199556087235
Energy: 0.2748780949195488
Energy: 0.7020421652332584
Energy: 0.2754395155092773
Energy: 0.2752191942867899
Energy: 0.2754395155120352
Energy: 0.8923362642605085
Energy: 0.2747478540818198
Energy: 0.2749900488834704
Energy: 0.2747478540818198
Energy: 0.7640287010763128
Energy: 0.27523256085372355
Energy: 0.27493847599967725
Energy: 0.2752325608528043

minimum gb energy = 0.2727554275545821 eV
minimum distance =  2.55887221239291 Angstroms
sigma value = 113


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

Energy: 0.011468283704625848
Energy: 0.3464967599357536
Energy: 0.7963461508647429
Energy: 0.011934206328163782
Energy: 0.5108793204471603
Energy: 0.06376554406765972
Energy: 0.5099906416776715
Energy: 0.0637655440683468
Energy: 0.011834550299500254
Energy: 0.06290781974815973
Energy: 0.5078094385337749
Energy: 0.06290781974780636
Energy: 0.012969917337730284
Energy: 0.062383694252167436
Energy: 0.5080089264703815
Energy: 0.062383694252167436
Energy: 0.5085699990808609
Energy: 0.06309157110391987
Energy: 0.5081410217307807
Energy: 0.0630915711032328
Energy: 0.011775020524745178
Energy: 0.0627009275855379
Energy: 0.5083159361792817
Energy: 0.06270092758518454

minimum gb energy = 0.011468283704625848 eV
minimum distance =  2.82775261334833 Angstroms
sigma value = 1