Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_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=4.03330184519291
cohesive_energy=3.369970499585708
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=[2.11003458344532e-19, 2.71131545241918e-19, 3.12823385611866e-19, 3.50661991177044e-19, 3.8384947797372e-19, 4.10335059910374e-19, 4.31023966785216e-19, 4.47298877033388e-19, 4.60279712122056e-19, 4.71017499923124e-19, 4.80403050645096e-19, 4.89091654531278e-19, 4.974165643215419e-19, 5.052912624776519e-19, 5.125026595072859e-19, 5.18877720333972e-19, 5.24333131772742e-19, 5.28852872057256e-19, 5.32478597779998e-19, 5.352824068894979e-19, 5.37349214747358e-19, 5.387687432450819e-19, 5.396082838012979e-19, 5.39887062535614e-19, 5.39574638091984e-19, 5.38533223279884e-19, 5.36581772139672e-19, 5.3348476470615e-19, 5.289602178917339e-19, 5.22753385611618e-19, 5.14672006669722e-19, 5.045526590493779e-19, 4.92198275024604e-19, 4.773044410349399e-19, 4.593392344378979e-19, 4.37439082027752e-19, 4.1034146861691e-19, 3.76274386848168e-19, 3.32863410949938e-19, 2.7692501595046198e-19, 2.0357736964594197e-19, 1.06173041181912e-19, -2.1840551439361197e-20, -1.8532377125478e-19, -3.8892357137359796e-19, -6.429390636344939e-19, -9.67451929968024e-19, -1.3992305219478539e-18, -1.99746565314048e-18, -2.8607024017733397e-18, -4.1348173481955e-18, -6.115075624286819e-18, -9.49387388419674e-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: 0.0 eV

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

Energy: 0.010440524457351127
Energy: 0.011040046882158438
Energy: 0.34051823763519773
Energy: 0.011040046882158438
Energy: 0.011040046881654572
Energy: 0.39929094927624104
Energy: 0.011040046881654572
Energy: 0.39929094927624104
Energy: 0.34051823763519773
Energy: 0.011040046882158438
Energy: 0.010440524457351127
Energy: 0.011040046881654572
Energy: 0.011040046881654572
Energy: 0.39929094927624104
Energy: 0.011040046882158438
Energy: 0.3992909492767168

minimum gb energy = 0.010440524457351127 eV
minimum distance =  2.80052129076097 Angstroms
sigma value = 1


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

Energy: 0.6691766159674906
Energy: 0.4718554290156883
Energy: 0.48453364407221833
Energy: 0.4718554290144661
Energy: 0.4890776606896177
Energy: 0.5084524631614249
Energy: 0.4811522858486383
Energy: 0.5084524631608138
Energy: 0.48291679585391484
Energy: 0.4830392142411709
Energy: 0.4804272914326914
Energy: 0.4830392142423931
Energy: 0.48252534421732
Energy: 0.48105223775502165
Energy: 0.48125634615479324
Energy: 0.48105223775624384
Energy: 0.5055290617909126
Energy: 0.5072499894535017
Energy: 0.4814791923132007
Energy: 0.5072499894528906
Energy: 0.5164259550041178
Energy: 0.48106089198506313
Energy: 0.48283928815970456
Energy: 0.4810608919813966
Energy: 0.5065614888490331
Energy: 0.5117804889126358
Energy: 0.5053681078251411
Energy: 0.5117804889126358
Energy: 0.5068078520541993
Energy: 0.5046623032318135
Energy: 0.5390440285524405
Energy: 0.5046623032312023
Energy: 0.5490306751014267
Energy: 0.5218631973113124
Energy: 0.5454858847206857
Energy: 0.5218631973131456
Energy: 0.5373818922504292
Energy: 0.5249852260663396
Energy: 0.5142510509830677
Energy: 0.5249852260626732
Energy: 0.55150052036198
Energy: 0.5211835712172799
Energy: 0.5380327182577476
Energy: 0.5211835712160577
Energy: 0.5102130096934261
Energy: 0.5196349060304386
Energy: 0.5403847636745749
Energy: 0.5196349060334939
Energy: 0.5045893762051553
Energy: 0.529898258360872
Energy: 0.49501772982999453
Energy: 0.5298982583614831
Energy: 0.5176128065152277
Energy: 0.5071981257144658
Energy: 0.5136870676846044
Energy: 0.5071981257144658
Energy: 0.49329678471804195
Energy: 0.48185113215907277
Energy: 0.48100878865562247
Energy: 0.48185113215785064
Energy: 0.5036262089243966
Energy: 0.48220656560744635
Energy: 0.4801985909620547
Energy: 0.4822065656068352
Energy: 0.4832639473895241
Energy: 0.4829084371445581
Energy: 0.4694594159837555
Energy: 0.48290843714394704
Energy: 0.48057301916558465
Energy: 0.48139195123121137
Energy: 0.48900558428276153
Energy: 0.48139195123243356
Energy: 0.4826874524117396
Energy: 0.4829859705738378
Energy: 0.48746347490868475
Energy: 0.48298597057444886
Energy: 0.5132432479408422
Energy: 0.4822479243741191
Energy: 0.48290741942534987
Energy: 0.4822479243759524
Energy: 0.4837726403891933
Energy: 0.5074448583973448
Energy: 0.5038905291607895
Energy: 0.5074448583961225
Energy: 0.4822912682499782
Energy: 0.4825750878926433
Energy: 0.5168574893759519
Energy: 0.4825750878932544
Energy: 0.5041238532189538
Energy: 0.5116138676512677
Energy: 0.5075605341062234
Energy: 0.5116138676512677
Energy: 0.5379139956477299
Energy: 0.5083235434636805
Energy: 0.5078066156260747
Energy: 0.5083235434649026
Energy: 0.5353866639764802
Energy: 0.5229067431023747
Energy: 0.5484637766741385
Energy: 0.522906743104208
Energy: 0.5294365966798746
Energy: 0.5200885391585055
Energy: 0.5380826181619146
Energy: 0.5200885391591165
Energy: 0.5376636806930811
Energy: 0.5244195565504651
Energy: 0.5666234090109983
Energy: 0.5244195565529094
Energy: 0.5385286403248674
Energy: 0.5219587116869616
Energy: 0.5057528463214943
Energy: 0.5219587116881838
Energy: 0.4959347520352089
Energy: 0.5092650475794387
Energy: 0.5042376854891324
Energy: 0.5092650475782166
Energy: 0.49190832246452343
Energy: 0.5096588974211745
Energy: 0.5176530338184314
Energy: 0.509658897417508
Energy: 0.47940922244523326
Energy: 0.4818437934899619
Energy: 0.4933058316871142
Energy: 0.4818437934893509
Energy: 0.48168465419215634
Energy: 0.480664637078234
Energy: 0.46918080492274017
Energy: 0.4806646370776229
Energy: 0.46918479529088164
Energy: 0.4831572663708182
Energy: 0.4822482880711254
Energy: 0.483157266369596

minimum gb energy = 0.46918080492274017 eV
minimum distance =  2.61353979628338 Angstroms
sigma value = 1


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

Energy: 0.7617504626100413
Energy: 0.4860233417308209
Energy: 0.499244490487441
Energy: 0.48602334173987843
Energy: 0.5107759651903353
Energy: 0.5251620138092886
Energy: 0.49623195566709294
Energy: 0.525162013808592
Energy: 0.502340892527389
Energy: 0.5005473162732266
Energy: 0.4996236578118384
Energy: 0.5005473162592918
Energy: 0.4998625275647713
Energy: 0.49608588881634763
Energy: 0.49625894949919247
Energy: 0.4960858888107737
Energy: 0.5021920335040969
Energy: 0.5267755049519984
Energy: 0.49767210816805124
Energy: 0.5267755049568755
Energy: 0.5392328595582987
Energy: 0.5012295046544598
Energy: 0.5020833353986545
Energy: 0.5012295046537631
Energy: 0.5296100926693215
Energy: 0.5370352832365586
Energy: 0.5424696939168624
Energy: 0.5370352832372552
Energy: 0.5267370397889308
Energy: 0.537320834159746
Energy: 0.5624997429129766
Energy: 0.537320834159746
Energy: 0.5416885725910373
Energy: 0.5477628848865105
Energy: 0.5497177214849043
Energy: 0.5477628848788464
Energy: 0.5631254555150557
Energy: 0.5544203045659227
Energy: 0.5289892433375424
Energy: 0.5544203045673162
Energy: 0.5176942138612672
Energy: 0.5543232801655814
Energy: 0.5300187529962184
Energy: 0.554323280166278
Energy: 0.5383820190630682
Energy: 0.5347030302078204
Energy: 0.5401007503672636
Energy: 0.5347030302085171
Energy: 0.4959289072634025
Energy: 0.49985554419742584
Energy: 0.5155322699291692
Energy: 0.4998555441988192
Energy: 0.49640988171088657
Energy: 0.4962008877140259
Energy: 0.4823698048020496
Energy: 0.49620088771123894
Energy: 0.4822073641508621
Energy: 0.49823447072152294
Energy: 0.4990518530264325
Energy: 0.4982344707222196
Energy: 0.5106688035413822
Energy: 0.49827781198859344
Energy: 0.4968215290241269
Energy: 0.49827781198859344
Energy: 0.503970047805482
Energy: 0.5002908480556957
Energy: 0.49727260162397924
Energy: 0.5002908480556957
Energy: 0.5011521507147829
Energy: 0.49869900510246523
Energy: 0.5372516891253077
Energy: 0.49869900510107174
Energy: 0.5016029311593383
Energy: 0.5256224186539904
Energy: 0.49632318051323787
Energy: 0.5256224186477197
Energy: 0.5405858826746335
Energy: 0.49692668070671
Energy: 0.502800790906891
Energy: 0.4969266807074067
Energy: 0.5296864828803247
Energy: 0.5369261294790004
Energy: 0.5397200659489634
Energy: 0.5369261294810906
Energy: 0.5387263554143498
Energy: 0.5341659634248395
Energy: 0.5622377280858758
Energy: 0.5341659634304134
Energy: 0.5417635416616147
Energy: 0.5493786485446159
Energy: 0.5485833038682806
Energy: 0.5493786485411323
Energy: 0.5624953379549588
Energy: 0.5499677645274899
Energy: 0.5278495200259564
Energy: 0.5499677645240063
Energy: 0.5174948466461203
Energy: 0.5351704877852669
Energy: 0.5301623600466596
Energy: 0.5351704877880538
Energy: 0.5174107374192422
Energy: 0.5356730966803647
Energy: 0.5406631431818111
Energy: 0.5356730966817581
Energy: 0.5033365741276227
Energy: 0.4953518228825744
Energy: 0.51605383861024
Energy: 0.4953518228853614
Energy: 0.4966537873971541
Energy: 0.497801133544699
Energy: 0.4824572547187571
Energy: 0.49780113353773164
Energy: 0.48205789300432267
Energy: 0.49828867204224553
Energy: 0.4986897578449251
Energy: 0.4982886720338847

minimum gb energy = 0.48205789300432267 eV
minimum distance =  2.61493614180256 Angstroms
sigma value = 25


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

Energy: 0.7273776899019466
Energy: 0.50000764278667
Energy: 0.5245089149397699
Energy: 0.50000764278667
Energy: 0.5313209719401567
Energy: 0.5437958527668322
Energy: 0.5178922977772922
Energy: 0.5437958527676421
Energy: 0.5259822882451546
Energy: 0.5249192930571847
Energy: 0.6632140395790299
Energy: 0.5249192930579946
Energy: 0.5229648897709352
Energy: 0.543511398444878
Energy: 0.5174113636626767
Energy: 0.5435113984464979
Energy: 0.5180884054412926
Energy: 0.5475790014248448
Energy: 0.5167654500968718
Energy: 0.5475790014264648
Energy: 0.5669048903780489
Energy: 0.5198306628313807
Energy: 0.5194530982931156
Energy: 0.5198306628321906
Energy: 0.5605534785637276
Energy: 0.5656507510204113
Energy: 0.5634022378421374
Energy: 0.5656507510212212
Energy: 0.5461675889263449
Energy: 0.569234408562772
Energy: 0.5932259082737347
Energy: 0.569234408561962
Energy: 0.5617181730897709
Energy: 0.5629272689235959
Energy: 0.5883078167640589
Energy: 0.5629272689235959
Energy: 0.5673496988386014
Energy: 0.5660367798523105
Energy: 0.5201640131425197
Energy: 0.5660367798515007
Energy: 0.4952563256238576
Energy: 0.5150336840679559
Energy: 0.5201186198759082
Energy: 0.5150336840679559
Energy: 0.4948539160400634
Energy: 0.5161036788648793
Energy: 0.5194255594129885
Energy: 0.5161036788656891
Energy: 0.5215931817915964
Energy: 0.5213085979662199
Energy: 0.49473003455201064
Energy: 0.52130859796541
Energy: 0.5174780825570624
Energy: 0.5176019096096321
Energy: 0.5317007881066507
Energy: 0.5176019096080123
Energy: 0.5178068994107514
Energy: 0.5251083443286275
Energy: 0.5245791453139642
Energy: 0.5251083443270076
Energy: 0.5635306514349329
Energy: 0.5181820288950517
Energy: 0.5259502167500237
Energy: 0.5181820288950517
Energy: 0.5187610817485278
Energy: 0.5507370505244019
Energy: 0.5182531393027593
Energy: 0.5507370505244019
Energy: 0.5131312226491385
Energy: 0.5154274438796467
Energy: 0.5672170031095324
Energy: 0.5154274438796467
Energy: 0.563144809086231
Energy: 0.5657510176335397
Energy: 0.5610189569339128
Energy: 0.5657510176319198
Energy: 0.5941733137196085
Energy: 0.5622672490763874
Energy: 0.5639900162356272
Energy: 0.5622672490771973
Energy: 0.5896531710765646
Energy: 0.5640478717004034
Energy: 0.5651317473491597
Energy: 0.5640478716987835
Energy: 0.5395880094088787
Energy: 0.5650262938755007
Energy: 0.5675183306912908
Energy: 0.5650262938763108
Energy: 0.5194979977605001
Energy: 0.5147203736151927
Energy: 0.4950150803004492
Energy: 0.5147203736151927
Energy: 0.5189559004479237
Energy: 0.5156759466336011
Energy: 0.4949142322609585
Energy: 0.5156759466336011
Energy: 0.4944372064813411
Energy: 0.5189855155797088
Energy: 0.521445974604041
Energy: 0.5189855155788989

minimum gb energy = 0.4944372064813411 eV
minimum distance =  2.60805635378395 Angstroms
sigma value = 9


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

Energy: 0.6829822276160105
Energy: 0.5173582431507552
Energy: 0.5432043680921984
Energy: 0.5173582431497891
Energy: 0.5639216222572211
Energy: 0.5717685311182313
Energy: 0.5359771304649567
Energy: 0.5717685311191975
Energy: 0.5420769351624926
Energy: 0.5423568621590608
Energy: 0.536422997477113
Energy: 0.5423568621590608
Energy: 0.543195055287638
Energy: 0.5684433476178835
Energy: 0.5388905153988347
Energy: 0.5684433476178835
Energy: 0.5485736225051576
Energy: 0.5781881436046941
Energy: 0.5386782920145321
Energy: 0.5781881436056603
Energy: 0.5403738963983595
Energy: 0.5386470909845407
Energy: 0.5368851289486262
Energy: 0.5386470909845407
Energy: 0.5603019900728545
Energy: 0.5824565480685399
Energy: 0.5557112022354298
Energy: 0.5824565480627426
Energy: 0.5404502736326517
Energy: 0.5897043737249489
Energy: 0.610546261273695
Energy: 0.5897043737210841
Energy: 0.5352384982446239
Energy: 0.5385183889732982
Energy: 0.5179210706234669
Energy: 0.5385183889713877
Energy: 0.5367528417263152
Energy: 0.5669229258932902
Energy: 0.5090342031451092
Energy: 0.5669229258903916
Energy: 0.5076693393901955
Energy: 0.5422621315166031
Energy: 0.5437949871865756
Energy: 0.5422621315175693
Energy: 0.563915500433045
Energy: 0.5419798549570684
Energy: 0.5427702466618383
Energy: 0.5419798549561022
Energy: 0.5429142828464076
Energy: 0.5422559461969817
Energy: 0.5379689018033385
Energy: 0.5422559461960155
Energy: 0.5439466775498122
Energy: 0.538408745709834
Energy: 0.5363987920622488
Energy: 0.5384087457088678
Energy: 0.5483745093313522
Energy: 0.5792404369270707
Energy: 0.5379867592575829
Energy: 0.5792404369251384
Energy: 0.5410083542240499
Energy: 0.5381714359643405
Energy: 0.5370160170519828
Energy: 0.5381714359643405
Energy: 0.5638494284544001
Energy: 0.5978178924230673
Energy: 0.5564952603992258
Energy: 0.5978178924259657
Energy: 0.5583069054121466
Energy: 0.5830796582900772
Energy: 0.5428285016177186
Energy: 0.5830796582862124
Energy: 0.5342902210660087
Energy: 0.5387128728404242
Energy: 0.513847944720267
Energy: 0.5387128728413906
Energy: 0.5365295317175259
Energy: 0.5392306986715507
Energy: 0.5128880883161702
Energy: 0.539230698673483
Energy: 0.5081132206669646
Energy: 0.5435697804918219
Energy: 0.5442591709919312
Energy: 0.5435697804908558

minimum gb energy = 0.5076693393901955 eV
minimum distance =  2.59948453613972 Angstroms
sigma value = 25


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

Energy: 0.6199090639407605
Energy: 0.515821260410177
Energy: 0.5640998454195979
Energy: 0.5158212604089821
Energy: 0.5584210958065513
Energy: 0.5500539135956015
Energy: 0.5571536368799461
Energy: 0.5500539135956015
Energy: 0.5573527176137131
Energy: 0.5635235663276579
Energy: 0.5512501265849419
Energy: 0.5635235663288528
Energy: 0.5644459648382011
Energy: 0.5498873842817703
Energy: 0.5256121995492206
Energy: 0.5498873842817703
Energy: 0.5626038265215777
Energy: 0.5853734542184224
Energy: 0.5272584274432058
Energy: 0.5853734542184224
Energy: 0.5112046128976592
Energy: 0.5663812401473508
Energy: 0.5256689309557122
Energy: 0.566381240146156
Energy: 0.5082465276453432
Energy: 0.5923310905406495
Energy: 0.5261567794451508
Energy: 0.5923310905418443
Energy: 0.5084022878914992
Energy: 0.5514870893642047
Energy: 0.5270284019777622
Energy: 0.5514870893653996
Energy: 0.5636245956803834
Energy: 0.5571471909478519
Energy: 0.59869347136884
Energy: 0.557147190946657
Energy: 0.5579763603552857
Energy: 0.5106716818878421
Energy: 0.5999093608945225
Energy: 0.5106716818902317
Energy: 0.5513800583799096
Energy: 0.5637695102621202
Energy: 0.5651767550568355
Energy: 0.563769510263315
Energy: 0.55160189744113
Energy: 0.5508944198541407
Energy: 0.5638069223168554
Energy: 0.5508944198541407
Energy: 0.5264320087648401
Energy: 0.5855850732534521
Energy: 0.5623101790153503
Energy: 0.5855850732534521
Energy: 0.5275131784981469
Energy: 0.5665802189735155
Energy: 0.5577181180976495
Energy: 0.5665802189782951
Energy: 0.5256461124122199
Energy: 0.5928051961721681
Energy: 0.5080640071056399
Energy: 0.5928051961721681
Energy: 0.525407663423784
Energy: 0.5858949758901906
Energy: 0.5080983555602556
Energy: 0.5858949758913854
Energy: 0.5991554901780906
Energy: 0.5108141217894236
Energy: 0.5583952442434841
Energy: 0.5108141217882286

minimum gb energy = 0.5080640071056399 eV
minimum distance =  2.6366405016977 Angstroms
sigma value = 17


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

Energy: 0.710665928168933
Energy: 0.5806619140724847
Energy: 0.6062780919622176
Energy: 0.5806619140718081
Energy: 0.5685462517784474
Energy: 0.5812531291219998
Energy: 0.6271010344817382
Energy: 0.5812531291240299
Energy: 0.5576330610726848
Energy: 0.5563705153609142
Energy: 0.6033059239280061
Energy: 0.5563705153622676
Energy: 0.5551645395312695
Energy: 0.6209847189010622
Energy: 0.6251030472329827
Energy: 0.6209847188990321
Energy: 0.5970996093335929
Energy: 0.6155470334895482
Energy: 0.5927216353255245
Energy: 0.6155470334902249
Energy: 0.5562963815638486
Energy: 0.6162281118849707
Energy: 0.5578802364042822
Energy: 0.616228111884294
Energy: 0.5749369310912202
Energy: 0.5544689477858049
Energy: 0.5695864946574634
Energy: 0.5544689477837748
Energy: 0.6281196167102153
Energy: 0.5554105773603587
Energy: 0.5547024478961582
Energy: 0.5554105773610354
Energy: 0.605685675777982
Energy: 0.6049063684925261
Energy: 0.6022354948359413
Energy: 0.6049063684918493
Energy: 0.6384914641405581
Energy: 0.6058437504604111
Energy: 0.6032271185659227
Energy: 0.6058437504610878
Energy: 0.5931454845039857
Energy: 0.5627525618567367
Energy: 0.5493644469372908
Energy: 0.5627525618553832
Energy: 0.6051679262595573
Energy: 0.5663188842284743
Energy: 0.5621777367669997
Energy: 0.566318884229151
Energy: 0.5746158330476807
Energy: 0.5665366307556785
Energy: 0.5623976379700687
Energy: 0.5665366307556785
Energy: 0.5747440370494598
Energy: 0.5659060637086782
Energy: 0.5442712439255047
Energy: 0.5659060637086782
Energy: 0.6218651089204216
Energy: 0.6068520580249039
Energy: 0.6259835503340032
Energy: 0.6068520580228738
Energy: 0.6049555984850813
Energy: 0.6064684472115989
Energy: 0.626910182848502
Energy: 0.6064684472129523
Energy: 0.6024698987017174
Energy: 0.5554032199566722
Energy: 0.5563581109851979
Energy: 0.555403219957349
Energy: 0.6022643407532882
Energy: 0.5554138425722501
Energy: 0.5541138699169598
Energy: 0.555413842572927
Energy: 0.5549272493884329
Energy: 0.6162452532065847
Energy: 0.5986115407127703
Energy: 0.6162452532038779
Energy: 0.5913507250487978
Energy: 0.6171698552205906
Energy: 0.5953025787234842
Energy: 0.6171698552199139
Energy: 0.5554704264341516
Energy: 0.5551159633197977
Energy: 0.627843526448848
Energy: 0.5551159633211512
Energy: 0.5556298026273443
Energy: 0.5567793039316382
Energy: 0.5740869111712184
Energy: 0.5567793039316382
Energy: 0.6025781104838137
Energy: 0.6122955910150533
Energy: 0.6057555990765673
Energy: 0.6122955910130231
Energy: 0.6035699311562053
Energy: 0.6053282647765141
Energy: 0.605792211464836
Energy: 0.6053282647771909
Energy: 0.5479257079898964
Energy: 0.5810721443594546
Energy: 0.6054901673884039
Energy: 0.5810721443587779
Energy: 0.5627907484010836
Energy: 0.565805235631156
Energy: 0.5942077729020849
Energy: 0.5658052356325095
Energy: 0.5440850255555019
Energy: 0.5461402156171697
Energy: 0.5780600919325694
Energy: 0.5461402156144628
Energy: 0.5652509881822828
Energy: 0.566249667444618
Energy: 0.5752539892989341
Energy: 0.5662496674473249
Energy: 0.5622546531360678
Energy: 0.5810265510199559
Energy: 0.5759934609119282
Energy: 0.5810265510226628
Energy: 0.626042999544475
Energy: 0.605508254840088
Energy: 0.6050014713207912
Energy: 0.6055082548414414

minimum gb energy = 0.5440850255555019 eV
minimum distance =  2.59699236958959 Angstroms
sigma value = 53


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

Energy: 0.7718203994222077
Energy: 0.511968994307595
Energy: 0.5753657621821295
Energy: 0.511968994307595
Energy: 0.6343410569975244
Energy: 0.5373298514115982
Energy: 0.5729614949648778
Energy: 0.537329851414714
Energy: 0.5743431067065626
Energy: 0.5721672288616685
Energy: 0.5932894088600598
Energy: 0.5721672288647843
Energy: 0.5729487839124027
Energy: 0.5375675504728699
Energy: 0.5730626433394037
Energy: 0.537567550469754
Energy: 0.6002968663918802
Energy: 0.5369897632029376
Energy: 0.5000503051084184
Energy: 0.5369897632060534
Energy: 0.5732191696581855
Energy: 0.5378195885554458
Energy: 0.5000542135922721
Energy: 0.5378195885585616
Energy: 0.6341184878315778
Energy: 0.5729593234577858
Energy: 0.572962671569474
Energy: 0.5729593234531118
Energy: 0.6352617227383817
Energy: 0.5728733917083694
Energy: 0.6071390873545798
Energy: 0.5728733917332964
Energy: 0.5737080792811647
Energy: 0.5735631114091274
Energy: 0.5960615195115552
Energy: 0.5735631114044535
Energy: 0.5726757351025249
Energy: 0.5367973748701367
Energy: 0.5732059274959351
Energy: 0.5367973748732525
Energy: 0.5996923290129038
Energy: 0.5390433122643861
Energy: 0.5127469836420026
Energy: 0.5390433122643861
Energy: 0.5727863830031346
Energy: 0.5376602038304643
Energy: 0.5025081959687568
Energy: 0.5376602038257904
Energy: 0.6350744659780748
Energy: 0.5734127994179039
Energy: 0.6059514444945793
Energy: 0.5734127994147878

minimum gb energy = 0.5000503051084184 eV
minimum distance =  2.60646688860227 Angstroms
sigma value = 9


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

Energy: 0.7485564785350125
Energy: 0.6367318128415608
Energy: 0.6689161324897342
Energy: 0.6367318128467504
Energy: 0.6315635676555552
Energy: 0.5689976407376508
Energy: 0.6690607145851258
Energy: 0.5689976407382276
Energy: 0.5694227978247552
Energy: 0.5689796822269628
Energy: 0.6820908317335439
Energy: 0.5689796822269628
Energy: 0.5719235479862484
Energy: 0.5716213349292015
Energy: 0.6698395796635254
Energy: 0.5716213349246149
Energy: 0.5706304812637566
Energy: 0.5686422647330555
Energy: 0.7130971811126304
Energy: 0.5686422647313255
Energy: 0.5866659620646602
Energy: 0.5688712589477383
Energy: 0.7100126445624763
Energy: 0.5688712589483149
Energy: 0.6806195728340776
Energy: 0.6612961936772556
Energy: 0.6713752352995476
Energy: 0.6612961936766789
Energy: 0.6751230522922667
Energy: 0.6687499015492939
Energy: 0.6611069698941703
Energy: 0.6687499015487174
Energy: 0.6024739262155182
Energy: 0.6304304637873355
Energy: 0.6048361119873822
Energy: 0.6304304637965614
Energy: 0.5617536932338653
Energy: 0.6082259056970949
Energy: 0.6667653300085441
Energy: 0.6082259056982481
Energy: 0.6006845155750935
Energy: 0.6005830415897915
Energy: 0.6250119976621893
Energy: 0.6005830415926745
Energy: 0.5996428094829522
Energy: 0.6470334046572045
Energy: 0.7049158044533412
Energy: 0.6470334046560512
Energy: 0.6649545850579281
Energy: 0.601196327305018
Energy: 0.6014686350414825
Energy: 0.6011963273067479
Energy: 0.6810604325201189
Energy: 0.6003266549991719
Energy: 0.603091555408426
Energy: 0.6003266549985954
Energy: 0.6630142531297625
Energy: 0.6309224202825868
Energy: 0.6002525612146403
Energy: 0.6309224202814336
Energy: 0.6467507490477266
Energy: 0.6264413935544606
Energy: 0.609415546770479
Energy: 0.6264413935561904
Energy: 0.6739786244562957
Energy: 0.6267297616424155
Energy: 0.6178488080286602
Energy: 0.6267297616424155
Energy: 0.6676941481385987
Energy: 0.6646869053599009
Energy: 0.7035041386727633
Energy: 0.6646869053622074
Energy: 0.6689005165585675
Energy: 0.5705998479483805
Energy: 0.582843870448678
Energy: 0.5705998479478038
Energy: 0.6979496920082815
Energy: 0.5692566242085464
Energy: 0.5695408942983572
Energy: 0.5692566242056633
Energy: 0.670554058757956
Energy: 0.5698436226566596
Energy: 0.5714531335677006
Energy: 0.569843622656083
Energy: 0.7117443421291506
Energy: 0.5683284424529339
Energy: 0.5689889001889327
Energy: 0.5683284424587001
Energy: 0.7139083161377296
Energy: 0.5683816884813488
Energy: 0.5843697970837607
Energy: 0.5683816884801957
Energy: 0.6722446155382236
Energy: 0.6610463404085156
Energy: 0.6801491038676809
Energy: 0.6610463404085156
Energy: 0.6611494797483395
Energy: 0.6680418723494838
Energy: 0.6771847302411053
Energy: 0.6680418723500604
Energy: 0.6052565037372145
Energy: 0.6303723885614055
Energy: 0.607045520467918
Energy: 0.6303723885596756
Energy: 0.6688458272817646
Energy: 0.6074334960631161
Energy: 0.5614584076143779
Energy: 0.607433496061963
Energy: 0.6245891382925152
Energy: 0.6349805031699893
Energy: 0.6013592407127276
Energy: 0.6349805031711424
Energy: 0.7040349252677118
Energy: 0.6102891851673395
Energy: 0.5989319058456838
Energy: 0.610289185171376
Energy: 0.6048044330368781
Energy: 0.6007809959492824
Energy: 0.6647146750883004
Energy: 0.6007809959504354
Energy: 0.6055434775018043
Energy: 0.6004984716931409
Energy: 0.679350728003048
Energy: 0.6004984716931409
Energy: 0.6119619930935721
Energy: 0.6137540411778033
Energy: 0.6635057012349412
Energy: 0.613754041179533
Energy: 0.6081287525284612
Energy: 0.643089147034584
Energy: 0.6457291297804895
Energy: 0.6430891470363139
Energy: 0.6013538594268295
Energy: 0.6274974200093789
Energy: 0.6352062027111026
Energy: 0.6274974200122622
Energy: 0.7036364565545509
Energy: 0.6623299004332758
Energy: 0.6621497089139202
Energy: 0.6623299004344291

minimum gb energy = 0.5614584076143779 eV
minimum distance =  2.57791163249739 Angstroms
sigma value = 73


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

Energy: 0.7678757951375227
Energy: 0.6264413889347984
Energy: 0.6604728179466116
Energy: 0.6264413889320538
Energy: 0.5811950564537717
Energy: 0.5960413838140634
Energy: 0.6689057678267689
Energy: 0.5960413838168079
Energy: 0.5870416878624
Energy: 0.5877473209133475
Energy: 0.6695422940697873
Energy: 0.5877473209115178
Energy: 0.5997776423652628
Energy: 0.597753020675088
Energy: 0.6690161948074711
Energy: 0.5977530206732583
Energy: 0.5852621060756612
Energy: 0.5863915155640996
Energy: 0.7022735053172828
Energy: 0.5863915155668441
Energy: 0.6325475850138746
Energy: 0.5860618159891691
Energy: 0.6921997584215323
Energy: 0.5860618159873393
Energy: 0.6411061341105001
Energy: 0.6567347848850862
Energy: 0.6721183176211615
Energy: 0.6567347848832564
Energy: 0.6151278338748049
Energy: 0.6614516135154672
Energy: 0.6576208966316985
Energy: 0.6614516135154672
Energy: 0.631708909374451
Energy: 0.685286488274833
Energy: 0.6721532292581147
Energy: 0.685286488274833
Energy: 0.6020488702781938
Energy: 0.6533782007146118
Energy: 0.6717647409456644
Energy: 0.6533782007155265
Energy: 0.6230355154459155
Energy: 0.5917403179171674
Energy: 0.5840682220063845
Energy: 0.5917403179180823
Energy: 0.6254520268767215
Energy: 0.5834045141869306
Energy: 0.6921662628199782
Energy: 0.5834045141860157
Energy: 0.6697836272159668
Energy: 0.623304276367606
Energy: 0.6193431138125608
Energy: 0.6233042763685208
Energy: 0.6693265859834064
Energy: 0.6189667889529454
Energy: 0.6180550968321318
Energy: 0.6189667889502216
Energy: 0.6766206554103454
Energy: 0.5955344622788206
Energy: 0.5945645857232021
Energy: 0.5955344622769909
Energy: 0.7032513975621902
Energy: 0.5948753700720526
Energy: 0.5942394302901458
Energy: 0.5948753700702228
Energy: 0.6913556711582417
Energy: 0.5961328328043489
Energy: 0.6135360275956226
Energy: 0.5961328328052637
Energy: 0.6690633340735336
Energy: 0.6603511192115679
Energy: 0.6412165863949703
Energy: 0.6603511192079085
Energy: 0.6520003998172383
Energy: 0.6583027674665036
Energy: 0.6405651902948649
Energy: 0.6583027674701629
Energy: 0.6483192559141995
Energy: 0.619669836788061
Energy: 0.6459241050553387
Energy: 0.619669836787146
Energy: 0.6549643541948783
Energy: 0.6567517410616808
Energy: 0.6051607092090586
Energy: 0.656751741059851
Energy: 0.6946137651720226
Energy: 0.6481830240074262
Energy: 0.6512462231782975
Energy: 0.6481830240074262

minimum gb energy = 0.5811950564537717 eV
minimum distance =  2.53258914067051 Angstroms
sigma value = 7


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

Energy: 0.8621952131772487
Energy: 0.6313095165051286
Energy: 0.6789019028004385
Energy: 0.6313095165018942
Energy: 0.5894330321871387
Energy: 0.6701756951961702
Energy: 0.7237804585065336
Energy: 0.6701756951961702
Energy: 0.6089300144248558
Energy: 0.6266013162715455
Energy: 0.6418739287246824
Energy: 0.6266013162818959
Energy: 0.5921553682742268
Energy: 0.5960935881574299
Energy: 0.7174003735141843
Energy: 0.596093588156136
Energy: 0.6078689381029178
Energy: 0.6013625925634024
Energy: 0.6876577798089003
Energy: 0.6013625925575803
Energy: 0.6578640931383244
Energy: 0.6027332716666076
Energy: 0.6911808128136098
Energy: 0.6027332716659607
Energy: 0.7350586270288075
Energy: 0.601707750332514
Energy: 0.6114991079599241
Energy: 0.6017077503286324
Energy: 0.734048226592375
Energy: 0.6035568794639621
Energy: 0.6005979187699143
Energy: 0.6035568794607276
Energy: 0.7059953723052607
Energy: 0.5955668567248178
Energy: 0.5893975552943445
Energy: 0.5955668567248178
Energy: 0.6932427421192993
Energy: 0.623817093767034
Energy: 0.6261689005805233
Energy: 0.6238170937650932
Energy: 0.7207379528801222
Energy: 0.6544702246881939
Energy: 0.6009115687590879
Energy: 0.6544702246914283
Energy: 0.6611431694842307
Energy: 0.6596687593172335
Energy: 0.7149125607552299
Energy: 0.6596687593107937
Energy: 0.6595745857327268
Energy: 0.668879770538981
Energy: 0.6622473941345051
Energy: 0.6688797705338057
Energy: 0.6439406121019667
Energy: 0.6189012593246984
Energy: 0.5925913890113187
Energy: 0.6189012593266392
Energy: 0.6599900539683078
Energy: 0.6569055837382507
Energy: 0.6196162529448512
Energy: 0.6569055837343692
Energy: 0.6137182599834335
Energy: 0.6613812526985643
Energy: 0.6659198981324731
Energy: 0.6613812527030926
Energy: 0.6128963277249192
Energy: 0.6532062265406239
Energy: 0.7182543471845528
Energy: 0.6532062265348019
Energy: 0.611397854412359
Energy: 0.6238285780196808
Energy: 0.6410744877986234
Energy: 0.6238285780164463
Energy: 0.5884773715193197
Energy: 0.5964425059295393
Energy: 0.7220876016544898
Energy: 0.596442505919189
Energy: 0.602981301934137
Energy: 0.6013428816313778
Energy: 0.616094920852197
Energy: 0.6013428816249089
Energy: 0.6035010711917864
Energy: 0.6011783319547468
Energy: 0.6891676836342243
Energy: 0.6011783319521592
Energy: 0.7137781538915737
Energy: 0.6007941005452052
Energy: 0.6547837657875605
Energy: 0.6007941005477928
Energy: 0.7137928980680093
Energy: 0.6018383950285815
Energy: 0.6038522758967831
Energy: 0.6018383950279346
Energy: 0.7177429335510015
Energy: 0.5965468163132548
Energy: 0.5911190970069158
Energy: 0.59654681631843
Energy: 0.6934364647952317
Energy: 0.5889039444820006
Energy: 0.6031980709749997
Energy: 0.588903944485882
Energy: 0.6924335336837016
Energy: 0.6602915869552475
Energy: 0.605499761234154
Energy: 0.6602915869487784
Energy: 0.6802789475004752
Energy: 0.6745985298399478
Energy: 0.7747017807555043
Energy: 0.6745985298425354
Energy: 0.6575297162455627
Energy: 0.6570887421183255
Energy: 0.606032901756871
Energy: 0.6570887421235009
Energy: 0.642546982134377
Energy: 0.6198186685847805
Energy: 0.6538512130119063
Energy: 0.6198186685821929
Energy: 0.6613025297407524
Energy: 0.6480062692121716
Energy: 0.5920499142513008
Energy: 0.6480062691992335
Energy: 0.6132266478203
Energy: 0.6601351897200696
Energy: 0.6609829726008213
Energy: 0.6601351897161881

minimum gb energy = 0.5884773715193197 eV
minimum distance =  2.5621394606577 Angstroms
sigma value = 29


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

Energy: 0.5546480438640571
Energy: 0.5551764144364411
Energy: 0.6480704315620974
Energy: 0.5551764144210432
Energy: 0.6046080018459965
Energy: 0.6116616116281551
Energy: 0.6125447542054205
Energy: 0.6116616116283805
Energy: 0.6134408907963974
Energy: 0.5903074152148778
Energy: 0.5803756849955535
Energy: 0.5903074152133506
Energy: 0.5858938054927324
Energy: 0.5648743614015941
Energy: 0.6129827639485559
Energy: 0.564874361400943
Energy: 0.5835644396002027
Energy: 0.5652435030000508
Energy: 0.5548828250058662
Energy: 0.5652435029995999
Energy: 0.612644403550449
Energy: 0.6181616125169818
Energy: 0.5548563284287051
Energy: 0.6181616125132261
Energy: 0.5811220402769582
Energy: 0.5903577545540711
Energy: 0.6130197775885923
Energy: 0.5903577545542964
Energy: 0.58343194133014
Energy: 0.564611418225915
Energy: 0.6052204977372855
Energy: 0.5646114182254645
Energy: 0.6043010157348679
Energy: 0.5651484336456299
Energy: 0.5827411885131342
Energy: 0.5651484336456299

minimum gb energy = 0.5546480438640571 eV
minimum distance =  2.60388591446054 Angstroms
sigma value = 5


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

Energy: 0.7535590385116181
Energy: 0.5502634352646948
Energy: 0.6568830450766403
Energy: 0.5502634352671392
Energy: 0.6733712210479297
Energy: 0.5603405636527563
Energy: 0.6718593714020448
Energy: 0.5603405636521452
Energy: 0.6677923822485419
Energy: 0.6036993596263264
Energy: 0.6673091404581496
Energy: 0.6036993596263264
Energy: 0.5761857775849454
Energy: 0.5595294024642997
Energy: 0.7067249981112618
Energy: 0.5595294024502447
Energy: 0.6644208675520078
Energy: 0.580868921093143
Energy: 0.6611232941951405
Energy: 0.580868921092532
Energy: 0.5917632982196205
Energy: 0.581405695824206
Energy: 0.6660925285394543
Energy: 0.5814056958254281
Energy: 0.5661103384251832
Energy: 0.56017286372354
Energy: 0.7060893728789311
Energy: 0.56017286372354
Energy: 0.5738414958934357
Energy: 0.5597678466474748
Energy: 0.7558709375152454
Energy: 0.5597678466468637
Energy: 0.6733188652645496
Energy: 0.6308491535448639
Energy: 0.7401582362184222
Energy: 0.6308491535448639
Energy: 0.6640904408175626
Energy: 0.5437831709258248
Energy: 0.5537598523554403
Energy: 0.543783170927047
Energy: 0.6722708669193973
Energy: 0.5445009917621512
Energy: 0.5531385418576532
Energy: 0.544500991760318
Energy: 0.7410338581213837
Energy: 0.5476392512995802
Energy: 0.5657003077228262
Energy: 0.5476392513014134
Energy: 0.7515847556503432
Energy: 0.5468670664747768
Energy: 0.693196516147423
Energy: 0.5468670664723325
Energy: 0.6706524004821807
Energy: 0.5760317461791641
Energy: 0.6698530941694141
Energy: 0.5760317461803861
Energy: 0.5682412090682831
Energy: 0.5604761590185754
Energy: 0.6669690546376009
Energy: 0.5604761590197975
Energy: 0.5767121484443033
Energy: 0.5607880267023957
Energy: 0.7024073734723435
Energy: 0.5607880267011736
Energy: 0.5811938982059199
Energy: 0.5783026467997258
Energy: 0.5821012972918926
Energy: 0.5783026467985036
Energy: 0.6728846843174354
Energy: 0.5609472705524731
Energy: 0.6694088913998869
Energy: 0.560947270551251
Energy: 0.6674497019643721
Energy: 0.5601569125747893
Energy: 0.6697704386165678
Energy: 0.5601569125741783
Energy: 0.6746734020455242
Energy: 0.5606708276229708
Energy: 0.5746550502630905
Energy: 0.5606708276394701
Energy: 0.6681397384147769
Energy: 0.5712299509621465
Energy: 0.6813781711769682
Energy: 0.5712299509627574
Energy: 0.6609077958270034
Energy: 0.5764955058981817
Energy: 0.5784701667489184
Energy: 0.5764955058987928
Energy: 0.7072903953396603
Energy: 0.5600009404451324
Energy: 0.5614506887117034
Energy: 0.5600009404439102
Energy: 0.7527473562737624
Energy: 0.559838726362293
Energy: 0.5722655333787664
Energy: 0.5598387263629041
Energy: 0.7391432246504352
Energy: 0.631753893716909
Energy: 0.6727271786644077
Energy: 0.6317538937181312
Energy: 0.5516347692192275
Energy: 0.5482621212469639
Energy: 0.6637729280930474
Energy: 0.5482621212518526
Energy: 0.5538886319709714
Energy: 0.5449484495613046
Energy: 0.6734603237641908
Energy: 0.5449484495631378
Energy: 0.5632164206371156
Energy: 0.5472275586867666
Energy: 0.59418688289505
Energy: 0.5472275586855444
Energy: 0.6965158660436277
Energy: 0.5439410894005172
Energy: 0.7549316928293698
Energy: 0.5439410893986839
Energy: 0.6680770508231584
Energy: 0.57482854946279
Energy: 0.6719151230332515
Energy: 0.5748285494603457
Energy: 0.6684725309881623
Energy: 0.565614874069094
Energy: 0.5742644849663123
Energy: 0.5656148740684829
Energy: 0.6930749733845512
Energy: 0.5603423167504222
Energy: 0.5769703464433039
Energy: 0.5603423167510333
Energy: 0.5825008333848105
Energy: 0.582333372894174
Energy: 0.5822894528817837
Energy: 0.582333372893563

minimum gb energy = 0.5437831709258248 eV
minimum distance =  2.57592910080192 Angstroms
sigma value = 1


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

Energy: 0.8454816597902743
Energy: 0.5478463190860917
Energy: 0.6388174522190019
Energy: 0.5478463190894713
Energy: 0.6958405030853289
Energy: 0.5390684436887178
Energy: 0.673275636198247
Energy: 0.5390684436878727
Energy: 0.6746267580828227
Energy: 0.5946575417668923
Energy: 0.672960627939382
Energy: 0.594657541769427
Energy: 0.6111143997232391
Energy: 0.5959809939271148
Energy: 0.660907298581239
Energy: 0.5959809939262699
Energy: 0.6378177507053941
Energy: 0.5616406183889514
Energy: 0.6273758239987042
Energy: 0.5616406183923311
Energy: 0.5537449520678072
Energy: 0.5542001348141994
Energy: 0.6225427601075483
Energy: 0.5542001348125095
Energy: 0.5475162760603466
Energy: 0.5446171217293583
Energy: 0.7165727298744327
Energy: 0.5446171217293583
Energy: 0.5542083627020626
Energy: 0.5497456976975809
Energy: 0.7268313805317268
Energy: 0.5497456977001155
Energy: 0.655317824733741
Energy: 0.610053074217464
Energy: 0.7284797400700267
Energy: 0.610053074217464
Energy: 0.7337285795149289
Energy: 0.5908438827588168
Energy: 0.5790260205618963
Energy: 0.5908438827613516
Energy: 0.660636822805618
Energy: 0.510142118120201
Energy: 0.5786091904735724
Energy: 0.5101421181235807
Energy: 0.7649359315278629
Energy: 0.5107935825305037
Energy: 0.5944613730298322
Energy: 0.5107935825296587
Energy: 0.7630148720637278
Energy: 0.529726213767347
Energy: 0.5990967732284642
Energy: 0.529726213768192
Energy: 0.665075179865594
Energy: 0.5096839569629293
Energy: 0.7071744237730172
Energy: 0.509683956966309
Energy: 0.6111237852310127
Energy: 0.629975130666878
Energy: 0.7088543937250958
Energy: 0.6299751306685679
Energy: 0.6180850690691697
Energy: 0.6313038450980439
Energy: 0.5598273251824111
Energy: 0.6313038450963542
Energy: 0.6318973612323181
Energy: 0.5683636573743921
Energy: 0.6275082110523403
Energy: 0.5683636573743921
Energy: 0.5593431972328069
Energy: 0.5450757677346882
Energy: 0.6271156258517512
Energy: 0.5450757677321535
Energy: 0.5483912134977312
Energy: 0.5459811760239163
Energy: 0.7339534519725228
Energy: 0.5459811760247612
Energy: 0.5530582938801504
Energy: 0.5515468469029462
Energy: 0.7265981300769363
Energy: 0.5515468468970317
Energy: 0.7180273059492308
Energy: 0.5388634767608897
Energy: 0.603835964247483
Energy: 0.5388634767608897
Energy: 0.7169044542878333
Energy: 0.5480071764110782
Energy: 0.5582006768365001
Energy: 0.5480071764076986
Energy: 0.7170122310124138
Energy: 0.5390437818319738
Energy: 0.5425432073287068
Energy: 0.5390437818328185
Energy: 0.7220453547185203
Energy: 0.561608790107421
Energy: 0.5495505150247239
Energy: 0.5616087901057312

minimum gb energy = 0.5096839569629293 eV
minimum distance =  2.55449432953217 Angstroms
sigma value = 17


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

Energy: 0.8454631832835495
Energy: 0.5464848643538804
Energy: 0.6307199522238948
Energy: 0.5464848643564915
Energy: 0.6606315729546663
Energy: 0.5266392864971748
Energy: 0.6311760935712768
Energy: 0.5266392865008305
Energy: 0.6868643866839932
Energy: 0.6205978547185718
Energy: 0.6128823573850427
Energy: 0.6205978547201384
Energy: 0.6857722425815932
Energy: 0.5512260589929872
Energy: 0.6255008067392486
Energy: 0.551226058990376
Energy: 0.5973983987162332
Energy: 0.5287166586184947
Energy: 0.7549257122811289
Energy: 0.5287166586174502
Energy: 0.5285240226447734
Energy: 0.5283089484712146
Energy: 0.7503194692957996
Energy: 0.5283089484696479
Energy: 0.5206321215255942
Energy: 0.5136975491048396
Energy: 0.6953083461730786
Energy: 0.5136975491037952
Energy: 0.5223776948753651
Energy: 0.5138179051109683
Energy: 0.8299416831266018
Energy: 0.5138179051125349
Energy: 0.7249389141881186
Energy: 0.5140345659857349
Energy: 0.7123722892440484
Energy: 0.5140345659878239
Energy: 0.6123476069971984
Energy: 0.5525754218395937
Energy: 0.6267984760262844
Energy: 0.5525754219403356
Energy: 0.747670749752931
Energy: 0.5284049482697828
Energy: 0.5376847054620406
Energy: 0.5284049482812718
Energy: 0.7432200430869738
Energy: 0.5391800106333124
Energy: 0.6116761881694331
Energy: 0.5391800106327903
Energy: 0.7570851008286487
Energy: 0.5427361892915292
Energy: 0.5473178008140543
Energy: 0.5427361892920516
Energy: 0.6019584354971483
Energy: 0.5263669412566532
Energy: 0.5387138092087681
Energy: 0.5263669412545643
Energy: 0.6822145692369437
Energy: 0.5269941952044357
Energy: 0.5353988522145491
Energy: 0.5269941952065246
Energy: 0.8075701103008114
Energy: 0.5270393864010022
Energy: 0.7318459299022524
Energy: 0.5270393864015246
Energy: 0.5315042586648756
Energy: 0.5269360111588258
Energy: 0.7679449409646583
Energy: 0.5269360111572592
Energy: 0.533568596572844
Energy: 0.5271346559796157
Energy: 0.765286254756877
Energy: 0.5271346559780965
Energy: 0.5532624867052179
Energy: 0.5267802172500398
Energy: 0.6921103517763195
Energy: 0.5267802172526509
Energy: 0.6426220090368671
Energy: 0.5475150117461389
Energy: 0.8448610674270558
Energy: 0.5475150117450944
Energy: 0.6313365920195567
Energy: 0.5263307414266235
Energy: 0.6683424251181433
Energy: 0.5263307414255791
Energy: 0.6161587498750496
Energy: 0.6216570300359437
Energy: 0.6815895348096992
Energy: 0.6216570300390771
Energy: 0.666256487644644
Energy: 0.5505605724326843
Energy: 0.6835480195939753
Energy: 0.550560572432162
Energy: 0.7582261029748962
Energy: 0.5221730047190715
Energy: 0.6244293440194751
Energy: 0.5221730047190715
Energy: 0.7478595714505816
Energy: 0.5146113089177682
Energy: 0.5339021438817727
Energy: 0.5146113089182904
Energy: 0.6960841590194338
Energy: 0.5137572995059586
Energy: 0.52273813744615
Energy: 0.5137572995043921
Energy: 0.846728269031418
Energy: 0.5142035816130685
Energy: 0.5259790687531332
Energy: 0.5142035816088906
Energy: 0.7334093376295305
Energy: 0.5519850761935426
Energy: 0.7475519126223205
Energy: 0.5519850761924983
Energy: 0.6251229053772492
Energy: 0.5520004181764424
Energy: 0.613044432196848
Energy: 0.5520004181769645
Energy: 0.5379350066723196
Energy: 0.5295426390769304
Energy: 0.7296871697777347
Energy: 0.5295426390654415
Energy: 0.6183222157981932
Energy: 0.5396259067165414
Energy: 0.7456659323302759
Energy: 0.5396259067154969
Energy: 0.5512024937356946
Energy: 0.5404921047178882
Energy: 0.7462424480762213
Energy: 0.5404921047184106
Energy: 0.5332659752414871
Energy: 0.5265637072647055
Energy: 0.6038183681547858
Energy: 0.5265637072631388
Energy: 0.538424066302432
Energy: 0.526759676551381
Energy: 0.6848750118183771
Energy: 0.526759676551381
Energy: 0.7657349486271562
Energy: 0.5275778059510566
Energy: 0.8033122772446718
Energy: 0.5275778059531456
Energy: 0.766216461820462
Energy: 0.5269896091171714
Energy: 0.5419357929973095
Energy: 0.526989609118738
Energy: 0.7646174527493191
Energy: 0.5268923524184301
Energy: 0.5285711122784885
Energy: 0.5268923524179079
Energy: 0.6913861567175259
Energy: 0.5318841519550814
Energy: 0.5565156902527468
Energy: 0.531884151954037

minimum gb energy = 0.5136975491037952 eV
minimum distance =  2.54245575005286 Angstroms
sigma value = 89


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

Energy: 0.8862629260345347
Energy: 0.5013502534080116
Energy: 0.5030758953335893
Energy: 0.5013502534066453
Energy: 0.4733236990251446
Energy: 0.5183758537437926
Energy: 0.6660315020771008
Energy: 0.5183758537437926
Energy: 0.4733387232597935
Energy: 0.519292635055041
Energy: 0.6646347060008448
Energy: 0.5192926350564073
Energy: 0.4736539329921606
Energy: 0.5205830395740036
Energy: 0.5334068722809768
Energy: 0.5205830395740036
Energy: 0.4780508715834344
Energy: 0.47724438441324285
Energy: 0.6743223455428536
Energy: 0.4772443844118764
Energy: 0.5021239113784317
Energy: 0.4774554928001958
Energy: 0.6440779864884364
Energy: 0.4774554928001958
Energy: 0.5012636058636329
Energy: 0.4750923238430319
Energy: 0.6451225385481232
Energy: 0.4750923238430319
Energy: 0.47793871679751637
Energy: 0.47737151448754256
Energy: 0.7876692527096221
Energy: 0.47737151448890897
Energy: 0.6647733946014783
Energy: 0.47732235958843205
Energy: 0.47323174012387775
Energy: 0.47732235958843205
Energy: 0.6450472214557784
Energy: 0.5178259786724912
Energy: 0.5211157452675492
Energy: 0.5178259786724912
Energy: 0.664881975156436
Energy: 0.5229975601706739
Energy: 0.4756080979218072
Energy: 0.5229975601734066
Energy: 0.6765181757313549
Energy: 0.4772226996075685
Energy: 0.5333491292293099
Energy: 0.4772226996062021
Energy: 0.6732752388042713
Energy: 0.4775355998879473
Energy: 0.5030905000754197
Energy: 0.4775355998893137
Energy: 0.5227580594056214
Energy: 0.47493780607836117
Energy: 0.503356290934375
Energy: 0.47493780607836117
Energy: 0.7883716533547621
Energy: 0.4775980322315643
Energy: 0.47925850522685276
Energy: 0.4775980322315643

minimum gb energy = 0.47323174012387775 eV
minimum distance =  2.59838938518388 Angstroms
sigma value = 13


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

Energy: 0.7903877737506166
Energy: 0.49339336240372644
Energy: 0.5972164027865903
Energy: 0.49339336240315373
Energy: 0.8273969005093565
Energy: 0.46119198611812035
Energy: 0.5598725386023639
Energy: 0.461191986118693
Energy: 0.7600474765045477
Energy: 0.4607369452314899
Energy: 0.5583932274614618
Energy: 0.4607369452360456
Energy: 0.6182033428384286
Energy: 0.4615777966176487
Energy: 0.6374470840645607
Energy: 0.46157779661535786
Energy: 0.6406958054953519
Energy: 0.46117285093056326
Energy: 0.7016220945256895
Energy: 0.46117285093285415
Energy: 0.551249297317582
Energy: 0.46098599879705926
Energy: 0.7000349020716814
Energy: 0.4609859987913322
Energy: 0.5496503662982494
Energy: 0.4608291818917797
Energy: 0.733291333194496
Energy: 0.4608291818963613
Energy: 0.5558000903728034
Energy: 0.46844415918456295
Energy: 0.7170261037443981
Energy: 0.46844415917769044
Energy: 0.4754133089946146
Energy: 0.4614167371801328
Energy: 0.8071524694072171
Energy: 0.46141673718185094
Energy: 0.47163695197903005
Energy: 0.46170365577323397
Energy: 0.8392413872731903
Energy: 0.4617036557715158
Energy: 0.4724897655241871
Energy: 0.4947600782500302
Energy: 0.7912389771900205
Energy: 0.4947600782465939
Energy: 0.6972132341861108
Energy: 0.4816082665711158
Energy: 0.8040312852186651
Energy: 0.4816082665539605
Energy: 0.7030229552986796
Energy: 0.48139399602244504
Energy: 0.6961269371328062
Energy: 0.4813939960235905
Energy: 0.6985373135747558
Energy: 0.5588389552401787
Energy: 0.6188335702921959
Energy: 0.5588389552481967
Energy: 0.6945614833782109
Energy: 0.46211401765148646
Energy: 0.6217171085487437
Energy: 0.4621140176577863
Energy: 0.8011814758275619
Energy: 0.46217647272905205
Energy: 0.47432698419598
Energy: 0.46217647272962475
Energy: 0.7323921999589066
Energy: 0.4610771988220545
Energy: 0.4722544293869982
Energy: 0.461077198832936
Energy: 0.7878671130077539
Energy: 0.4697881634969856
Energy: 0.4685015366823824
Energy: 0.46978816349641295
Energy: 0.6335015909758692
Energy: 0.4615146351772515
Energy: 0.563611589318494
Energy: 0.46151463517209707
Energy: 0.7465123331132526
Energy: 0.4618083263590348
Energy: 0.5427363375074798
Energy: 0.4618083263607529
Energy: 0.6191290277778704
Energy: 0.5558085078648237
Energy: 0.5588010978498238
Energy: 0.5558085078608147
Energy: 0.74705515387677
Energy: 0.46078103964295375
Energy: 0.6996339626855747
Energy: 0.46078103967099066
Energy: 0.5517133968646197
Energy: 0.46110225401119526
Energy: 0.7025383870751323
Energy: 0.4611022540123406
Energy: 0.46644920016488983
Energy: 0.46143072880180175
Energy: 0.8023442383270982
Energy: 0.4614307288063835
Energy: 0.5464348266195185
Energy: 0.46155989725176017
Energy: 0.7121318207927055
Energy: 0.46155989725691454
Energy: 0.47294718232308197
Energy: 0.4616593157215448
Energy: 0.8006463862485926
Energy: 0.4616593157140995
Energy: 0.46179257189950645
Energy: 0.46152429385431715
Energy: 0.8349383841009038
Energy: 0.4615242938697804
Energy: 0.47259607718705804
Energy: 0.46188788744078824
Energy: 0.7845504898066161
Energy: 0.46188788744078824
Energy: 0.6836834384620725
Energy: 0.4618027126038068
Energy: 0.6320862642069277
Energy: 0.46180271260266126
Energy: 0.5421695399697205
Energy: 0.48367203016600613
Energy: 0.6965928923756318
Energy: 0.48367203016027904
Energy: 0.6961642265647763
Energy: 0.5576676954852761
Energy: 0.6201980346545902
Energy: 0.5576676954887123
Energy: 0.6992090000869419
Energy: 0.4617720386509868
Energy: 0.6969046943390476
Energy: 0.46177203865155947
Energy: 0.8015080951233505
Energy: 0.4615191220582457
Energy: 0.4769112136353615
Energy: 0.46151912205652756
Energy: 0.7343120385722921
Energy: 0.46101444600198066
Energy: 0.4611284749153243
Energy: 0.4610144459962535
Energy: 0.8430864542335953
Energy: 0.47244402045557443
Energy: 0.4647292856115705
Energy: 0.47244402045216416

minimum gb energy = 0.4607369452314899 eV
minimum distance =  2.54990100185939 Angstroms
sigma value = 37


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

Energy: 0.7610853939571143
Energy: 0.4762872636283256
Energy: 0.44076084693230805
Energy: 0.47628726362635493
Energy: 0.8244030685561883
Energy: 0.4398946600947705
Energy: 0.5852393531640275
Energy: 0.43989466009575584
Energy: 0.7373376861712079
Energy: 0.4391144259299056
Energy: 0.5781386021454296
Energy: 0.4391144259328392
Energy: 0.7615628845971093
Energy: 0.4833608087548888
Energy: 0.6533731359881452
Energy: 0.4833608087568595
Energy: 0.7081245562701615
Energy: 0.42931587622661377
Energy: 0.6237634620854944
Energy: 0.42931587622365774
Energy: 0.48998059095447144
Energy: 0.4286567362230428
Energy: 0.7176516826744168
Energy: 0.4286567362220574
Energy: 0.49201686387067806
Energy: 0.4295325988081823
Energy: 0.811452540254218
Energy: 0.4295325988081823
Energy: 0.5675040441540595
Energy: 0.4288271615274953
Energy: 0.8146821280204048
Energy: 0.4288271615274953
Energy: 0.48934724285909986
Energy: 0.4287761659622885
Energy: 0.8138053725059831
Energy: 0.4287761659622885
Energy: 0.4911228881385103
Energy: 0.4223382150676202
Energy: 0.8499296580940809
Energy: 0.4223382150695909
Energy: 0.5212900206118484
Energy: 0.521615008415087
Energy: 0.6917555980019375
Energy: 0.5216150084141016
Energy: 0.6263922516565728
Energy: 0.42257492819242015
Energy: 0.8499064464591988
Energy: 0.42257492819242015
Energy: 0.635455496639319
Energy: 0.42843285705587314
Energy: 0.7371728175468435
Energy: 0.4284328570548878
Energy: 0.7054760548000076
Energy: 0.47357224197315845
Energy: 0.761157426515607
Energy: 0.47357224197414377
Energy: 0.6237634620845091
Energy: 0.47362116698115847
Energy: 0.7393786334076781
Energy: 0.47362116698115847
Energy: 0.7176516826734315
Energy: 0.47354124835725525
Energy: 0.4900008702452543
Energy: 0.47354124835725525
Energy: 0.7068788509861155
Energy: 0.5396535581182315
Energy: 0.4919908746225912
Energy: 0.5396535581182315
Energy: 0.8146821280282874
Energy: 0.4407717997418138
Energy: 0.42292706723348344
Energy: 0.4407717997408285
Energy: 0.8138053725079536
Energy: 0.4406345459866319
Energy: 0.44014517217323884
Energy: 0.44063454598466123
Energy: 0.8244059328332195
Energy: 0.4404334599262586
Energy: 0.4498821664206476
Energy: 0.4404334599272439

minimum gb energy = 0.4223382150676202 eV
minimum distance =  2.56767398850327 Angstroms
sigma value = 25


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

Energy: 0.8499651769791189
Energy: 0.4984648114212758
Energy: 0.39413816597543605
Energy: 0.4984648114212758
Energy: 0.8707974011131941
Energy: 0.393838003758206
Energy: 0.5128814283165023
Energy: 0.39383800375974476
Energy: 0.7956172919899452
Energy: 0.3933039108068101
Energy: 0.49514027642419367
Energy: 0.3933039108083489
Energy: 0.6350165966123594
Energy: 0.39495834576033795
Energy: 0.6713641016855976
Energy: 0.39495834576110733
Energy: 0.7703520068721147
Energy: 0.4735830016101162
Energy: 0.6860555334036426
Energy: 0.47358300160934674
Energy: 0.6509340134741118
Energy: 0.4277342967958693
Energy: 0.684379439414988
Energy: 0.4277342968004858
Energy: 0.6361307975962254
Energy: 0.6050195032902285
Energy: 0.7360206464386724
Energy: 0.6050195032902285
Energy: 0.6203978077381218
Energy: 0.3914243495518961
Energy: 0.7392548378747843
Energy: 0.3914243495549738
Energy: 0.4926037999146526
Energy: 0.39054785399976943
Energy: 0.8331733756563443
Energy: 0.39054785400207764
Energy: 0.49310803451445406
Energy: 0.38991804605257574
Energy: 0.7550721224119844
Energy: 0.3899180460571922
Energy: 0.4370432127542408
Energy: 0.39009115927157006
Energy: 0.7413172267769337
Energy: 0.39009115927464766
Energy: 0.4367879782899996
Energy: 0.3895012816160162
Energy: 0.7551571579110844
Energy: 0.38950128161293857
Energy: 0.44454742386326346
Energy: 0.3860431078942166
Energy: 0.7552627108623988
Energy: 0.3860431078942166
Energy: 0.5511506718012121
Energy: 0.38690727986785783
Energy: 0.7902560671861656
Energy: 0.386907279866319
Energy: 0.5369845429941854
Energy: 0.5403967072439829
Energy: 0.7559616785835819
Energy: 0.5403967072439829
Energy: 0.5365649778436185
Energy: 0.39066205972564755
Energy: 0.7928177432712142
Energy: 0.3906620597225699
Energy: 0.6800236945021092
Energy: 0.3898549458729588
Energy: 0.7922964805647866
Energy: 0.3898549458698811
Energy: 0.5346798234115842
Energy: 0.425193156902878
Energy: 0.7970493844653312
Energy: 0.42519315690210857
Energy: 0.6787063636625347
Energy: 0.42543281459323323
Energy: 0.6365095140043069
Energy: 0.4254328145878474
Energy: 0.8415604353919188
Energy: 0.4779719816554612
Energy: 0.647600268521214
Energy: 0.47797198165776944
Energy: 0.7424963987028489
Energy: 0.3947421876221779
Energy: 0.5053668608040188
Energy: 0.3947421876198696
Energy: 0.8391569575097034
Energy: 0.3931476405684109
Energy: 0.43694218346602276
Energy: 0.39314764056687207
Energy: 0.8626698572570485
Energy: 0.394236145074026
Energy: 0.49800770387479465
Energy: 0.394236145074026
Energy: 0.7376964054103918
Energy: 0.395018796994225
Energy: 0.39925820309082544
Energy: 0.39501879699576375
Energy: 0.7985210419073158
Energy: 0.39347811365779883
Energy: 0.3948413349344708
Energy: 0.39347811365779883
Energy: 0.7911105807787101
Energy: 0.3948463237891058
Energy: 0.3984966705760169
Energy: 0.3948463237914141

minimum gb energy = 0.3860431078942166 eV
minimum distance =  2.57073919557557 Angstroms
sigma value = 41


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

Energy: 0.858526777568979
Energy: 0.3895749855833973
Energy: 0.3606085738241614
Energy: 0.3895749855827665
Energy: 0.9336318933206159
Energy: 0.35709170216677966
Energy: 0.44129306117354855
Energy: 0.3570917021642851
Energy: 0.8086486269425528
Energy: 0.3570913314672561
Energy: 0.4414220228698553
Energy: 0.3570913314685177
Energy: 0.6772133734218758
Energy: 0.3571667604059441
Energy: 0.604410480011784
Energy: 0.3571667604727796
Energy: 0.8116639319990321
Energy: 0.46514488104483886
Energy: 0.6052758432363914
Energy: 0.4651448810461004
Energy: 0.672018345841433
Energy: 0.4650063375323741
Energy: 0.606397731055106
Energy: 0.46500633753426646
Energy: 0.6737159772909594
Energy: 0.46679188819644185
Energy: 0.74301013842377
Energy: 0.46679188819518025
Energy: 0.6817644730482658
Energy: 0.4655565831855749
Energy: 0.5960202236119572
Energy: 0.4655565831830517
Energy: 0.5191737131711407
Energy: 0.35681103311443224
Energy: 0.7410683212758089
Energy: 0.35681103311506307
Energy: 0.5206917355458434
Energy: 0.3564848679160655
Energy: 0.8714980933257941
Energy: 0.3564848679154347
Energy: 0.4473653917008911
Energy: 0.35727872772603436
Energy: 0.7684049204995361
Energy: 0.35727872772224956
Energy: 0.43869976674178307
Energy: 0.3565971205167471
Energy: 0.8712669138732441
Energy: 0.3565971205142525
Energy: 0.45293648560818983
Energy: 0.35733652665062027
Energy: 0.8725616552441072
Energy: 0.35733652664809706
Energy: 0.35687210836158345
Energy: 0.35812397093532855
Energy: 0.7646823530669636
Energy: 0.35812397093532855
Energy: 0.35875050306574213
Energy: 0.3574217703231296
Energy: 0.8107242610761803
Energy: 0.35742177032499334
Energy: 0.35922857772018235
Energy: 0.3575418944163278
Energy: 0.8111101398608943
Energy: 0.3575418944175894
Energy: 0.4469849639239456
Energy: 0.3580468156163294
Energy: 0.8057032794371743
Energy: 0.3580468156163294
Energy: 0.4360389323933634
Energy: 0.44289048678504067
Energy: 0.8099071769969344
Energy: 0.44289048678504067
Energy: 0.4367675641626297
Energy: 0.35692049348507104
Energy: 0.6713751917466464
Energy: 0.35692049348444027
Energy: 0.6103225147724792
Energy: 0.35678272066284755
Energy: 0.6702981438914086
Energy: 0.3567827206609552
Energy: 0.5972220208798202
Energy: 0.5437676472245745
Energy: 0.7422322352107782
Energy: 0.5437676472239437
Energy: 0.612891051586017
Energy: 0.4656997336428572
Energy: 0.6755002482972605
Energy: 0.46569973364474954
Energy: 0.7415025718999401
Energy: 0.38417321137172744
Energy: 0.6719797663055066
Energy: 0.38417321137109656
Energy: 0.5962255102594598
Energy: 0.46522320847354603
Energy: 0.5980696759904144
Energy: 0.4652232084729153
Energy: 0.7436684305747806
Energy: 0.5442243365967911
Energy: 0.5144684676452655
Energy: 0.5442243365986835
Energy: 0.7420612622788277
Energy: 0.3567729603726867
Energy: 0.608401181331832
Energy: 0.3567729603689019
Energy: 0.7431706688437111
Energy: 0.35730868563142926
Energy: 0.4479742238459082
Energy: 0.35730868563016766
Energy: 0.8091622120308315
Energy: 0.4433002003208383
Energy: 0.4354095622228715
Energy: 0.44330020031389955
Energy: 0.7430013288271567
Energy: 0.357858806450369
Energy: 0.44798548619956907
Energy: 0.357858806450369
Energy: 0.740918165141589
Energy: 0.35755517948384197
Energy: 0.35743608971026275
Energy: 0.35755517948384197
Energy: 0.8704488024396676
Energy: 0.3574258547468587
Energy: 0.35834150041021423
Energy: 0.3574258547481203
Energy: 0.8054745052920299
Energy: 0.3576733352564126
Energy: 0.3572570926150954
Energy: 0.35767333525578177

minimum gb energy = 0.3564848679154347 eV
minimum distance =  2.58538381787506 Angstroms
sigma value = 15


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

Energy: 0.7453050103963493
Energy: 0.3622469614532975
Energy: 0.33874370572558987
Energy: 0.3622469614538319
Energy: 0.9546456123005832
Energy: 0.40590350596468716
Energy: 0.405015244652304
Energy: 0.40590350596735897
Energy: 0.8464303876366169
Energy: 0.33413025278522934
Energy: 0.40427714914063256
Energy: 0.33413025278629815
Energy: 0.731115418232284
Energy: 0.33329319118035755
Energy: 0.5435115921110273
Energy: 0.33329319118196066
Energy: 0.8481924758878702
Energy: 0.49860913978978244
Energy: 0.5353755038891155
Energy: 0.49860913979085114
Energy: 0.7242104305400595
Energy: 0.42956761798486376
Energy: 0.54654644816175
Energy: 0.42956761798058873
Energy: 0.604917660767654
Energy: 0.43532401498016965
Energy: 0.6718499060805364
Energy: 0.43532401497856654
Energy: 0.7322800650963455
Energy: 0.5182432310487896
Energy: 0.5317006405642981
Energy: 0.518243231046652
Energy: 0.6010984592037176
Energy: 0.5175860634910848
Energy: 0.6652891543498223
Energy: 0.5175860634910848
Energy: 0.6007827053994624
Energy: 0.4360515941567953
Energy: 0.7860972425154434
Energy: 0.4360515941578641
Energy: 0.5354126190697456
Energy: 0.42775571671610635
Energy: 0.6727889104523755
Energy: 0.4277557167166407
Energy: 0.46565486387016003
Energy: 0.4993003300459017
Energy: 0.7858742981346348
Energy: 0.4993003300459017
Energy: 0.5460038172527197
Energy: 0.3329688517080463
Energy: 0.784541100010019
Energy: 0.3329688517059088
Energy: 0.4097040586022752
Energy: 0.33352011106438567
Energy: 0.6709893974645456
Energy: 0.33352011106545437
Energy: 0.4000501244056664
Energy: 0.40624504415697604
Energy: 0.8992487928434652
Energy: 0.4062450441532354
Energy: 0.41880458253741754
Energy: 0.33339011105447197
Energy: 0.7864364677936145
Energy: 0.33339011105607513
Energy: 0.3339824709612471
Energy: 0.33388303430223815
Energy: 0.790693443418768
Energy: 0.3338830343017038
Energy: 0.3328211790664523
Energy: 0.3333931181494233
Energy: 0.8479971990087574
Energy: 0.3333931181510264
Energy: 0.3335258129695979
Energy: 0.3338172285755625
Energy: 0.7267555489677319
Energy: 0.33381722857502816
Energy: 0.40848189624795983
Energy: 0.33362529854030676
Energy: 0.8503477355274655
Energy: 0.33362529853870365
Energy: 0.39768680155651864
Energy: 0.4058567180337898
Energy: 0.8468536122941601
Energy: 0.4058567180337898
Energy: 0.3986079961359111
Energy: 0.3332109828489544
Energy: 0.7293496135126768
Energy: 0.33321098285109185
Energy: 0.5489422636583239
Energy: 0.33374196301149595
Energy: 0.7236271726855668
Energy: 0.3337419630136334
Energy: 0.5347634665409418
Energy: 0.4281431623942991
Energy: 0.7871340326518607
Energy: 0.4281431623932304
Energy: 0.5432376996608518
Energy: 0.4278871631144523
Energy: 0.59948283578038
Energy: 0.4278871631144523
Energy: 0.6638633838858603
Energy: 0.435889172329324
Energy: 0.7873410632878601
Energy: 0.4358891723314615
Energy: 0.5380657372857635
Energy: 0.5178166455969422
Energy: 0.6675026053745566
Energy: 0.5178166455964079
Energy: 0.6650685562961646
Energy: 0.5235331898461508
Energy: 0.6003493464367552
Energy: 0.5235331898461508
Energy: 0.6648140686971699
Energy: 0.4352961407696018
Energy: 0.668161760868715
Energy: 0.4352961407706705
Energy: 0.6632338598155865
Energy: 0.4283562029445007
Energy: 0.5407097838552347
Energy: 0.4283562029434319
Energy: 0.8475783163208439
Energy: 0.4997483052308191
Energy: 0.4654072024024575
Energy: 0.4997483052313534
Energy: 0.6710893050606053
Energy: 0.3329780218721897
Energy: 0.5453457850310797
Energy: 0.3329780218663116
Energy: 0.7848267392327974
Energy: 0.3325104846978967
Energy: 0.41266852525406816
Energy: 0.33251048469736233
Energy: 0.8499611531988971
Energy: 0.332798434711298
Energy: 0.411746084878214
Energy: 0.3327984347096949
Energy: 0.8203672241604194
Energy: 0.3348752403369861
Energy: 0.40935667306805107
Energy: 0.33487524033431426
Energy: 0.8981438670809659
Energy: 0.3330663577896941
Energy: 0.3378875904508346
Energy: 0.3330663577918316
Energy: 0.8442152874077173
Energy: 0.3334503811556714
Energy: 0.3376826390080894
Energy: 0.333450381159412

minimum gb energy = 0.33251048469736233 eV
minimum distance =  2.58661966178899 Angstroms
sigma value = 85


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

Energy: 0.7828621516629319
Energy: 0.3528152560277471
Energy: 0.30103839090327295
Energy: 0.3528152560258932
Energy: 0.8621071644591203
Energy: 0.3651031617681256
Energy: 0.358181071074056
Energy: 0.36510316176951596
Energy: 0.7537968293696488
Energy: 0.3012667410093231
Energy: 0.3579454878629499
Energy: 0.3012667410088596
Energy: 0.652313626516414
Energy: 0.30116354409479834
Energy: 0.48419965013479305
Energy: 0.3011635440915541
Energy: 0.8655813576609913
Energy: 0.4458736559987023
Energy: 0.4762458427695918
Energy: 0.44587365599777545
Energy: 0.6423847862257968
Energy: 0.30108659478339794
Energy: 0.4771152231835659
Energy: 0.3010865947824711
Energy: 0.6449472938114162
Energy: 0.3020236554256445
Energy: 0.5914613854594858
Energy: 0.3020236554256445
Energy: 0.7660411732429684
Energy: 0.46893470450896213
Energy: 0.47255550006667846
Energy: 0.46893470450849867
Energy: 0.6447094788727965
Energy: 0.47584926615877166
Energy: 0.5904497084219377
Energy: 0.47584926615877166
Energy: 0.6442239145387244
Energy: 0.47565076491378144
Energy: 0.7039166874970023
Energy: 0.47565076491424496
Energy: 0.5906646813710272
Energy: 0.4715255217890639
Energy: 0.5925120779995218
Energy: 0.47152552178999074
Energy: 0.5401341693642345
Energy: 0.4698643455714572
Energy: 0.704112564487744
Energy: 0.46986434557053025
Energy: 0.5915458285702189
Energy: 0.3950866357570914
Energy: 0.7002372097286538
Energy: 0.39508663575616443
Energy: 0.47694387089297335
Energy: 0.30189067339865916
Energy: 0.5914450290015116
Energy: 0.30189067339495146
Energy: 0.41448106900462034
Energy: 0.4452185125884361
Energy: 0.8128807563831493
Energy: 0.44521851258750916
Energy: 0.48361409736590594
Energy: 0.3010947293128907
Energy: 0.6986619682595984
Energy: 0.3010947293133542
Energy: 0.36703258934461364
Energy: 0.3011852233421749
Energy: 0.7020403232640915
Energy: 0.30118522334171144
Energy: 0.35768901599962843
Energy: 0.365073193087883
Energy: 0.8647974652088677
Energy: 0.36507319308741953
Energy: 0.3673556418717956
Energy: 0.301889760043527
Energy: 0.8073095640167526
Energy: 0.30188976004213663
Energy: 0.3013294413714631
Energy: 0.3022080452911467
Energy: 0.8074195858521264
Energy: 0.3022080452902197
Energy: 0.30166856758513066
Energy: 0.3012994514388856
Energy: 0.865006555929279
Energy: 0.3012994514374952
Energy: 0.301576604684133
Energy: 0.30159893296272555
Energy: 0.7524240332297364
Energy: 0.3015989329622621
Energy: 0.36685581980235304
Energy: 0.3018351325367543
Energy: 0.8607006829678897
Energy: 0.3018351325372177
Energy: 0.3598263824653285
Energy: 0.3653236591231425
Energy: 0.8667813056792631
Energy: 0.36532365912267906
Energy: 0.3586138291484218
Energy: 0.30119659642826874
Energy: 0.6525008996826468
Energy: 0.3011965964296591
Energy: 0.4850617397864683
Energy: 0.3011420462703258
Energy: 0.8645356677322528
Energy: 0.30114204626847196
Energy: 0.4765568806920878
Energy: 0.3015842156681233
Energy: 0.7573357765918757
Energy: 0.3015842156597811
Energy: 0.592086940655738
Energy: 0.30163997794578923
Energy: 0.6542577259010295
Energy: 0.30163997794671615
Energy: 0.5911709220866569
Energy: 0.3024513591196829
Energy: 0.8115033493343452
Energy: 0.30245135911921944
Energy: 0.5910948830779902
Energy: 0.470544739318421
Energy: 0.6451913873570863
Energy: 0.470544739318421
Energy: 0.702020981179257
Energy: 0.47555798128513704
Energy: 0.5314362545637039
Energy: 0.4755579812846736
Energy: 0.5889914942939867
Energy: 0.4755030460117535
Energy: 0.7027919698785056
Energy: 0.4755030460108266
Energy: 0.7027437313491692
Energy: 0.47063437148110365
Energy: 0.5349833853417526
Energy: 0.47063437148249404
Energy: 0.8113622241673245
Energy: 0.46948045552262235
Energy: 0.5343092274394008
Energy: 0.46948045552169543
Energy: 0.5914534440567911
Energy: 0.30191993663009653
Energy: 0.4843839170272583
Energy: 0.30191993661343297
Energy: 0.8125758613211042
Energy: 0.3868876492310458
Energy: 0.4767178504036828
Energy: 0.3868876492310458
Energy: 0.8100888453829937
Energy: 0.30110700564075865
Energy: 0.47724220732135
Energy: 0.3011070056416855
Energy: 0.7178681867462213
Energy: 0.30110021307414464
Energy: 0.3674293137538817
Energy: 0.30110021307414464
Energy: 0.8647566715479656
Energy: 0.3010719828192084
Energy: 0.35861715167334435
Energy: 0.3010719828187448
Energy: 0.8076645235201915
Energy: 0.30170465884031156
Energy: 0.3671794006414633
Energy: 0.3017046588398481
Energy: 0.7002091578194489
Energy: 0.3016990444975026
Energy: 0.301651575913745
Energy: 0.30169904449611223
Energy: 0.8655087502086092
Energy: 0.3012107537251874
Energy: 0.3012841129079174
Energy: 0.301210753723797
Energy: 0.7564546354796167
Energy: 0.3016235959252056
Energy: 0.3011935739488809
Energy: 0.3016235959252056

minimum gb energy = 0.30103839090327295 eV
minimum distance =  2.58518693395595 Angstroms
sigma value = 113


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

Energy: 0.01181210501865985
Energy: 0.012867075725377678
Energy: 0.6925431637903211
Energy: 0.01286707572642674
Energy: 0.014003887851730137
Energy: 0.06459450235681741
Energy: 0.481147358700378
Energy: 0.06459450235578813
Energy: 0.012209583935986477
Energy: 0.06474870062763527
Energy: 0.4794120265591428
Energy: 0.06474870062763527
Energy: 0.013294742782927286
Energy: 0.06422502859540956
Energy: 0.47838574480169094
Energy: 0.06422502859784418
Energy: 0.4786476306392457
Energy: 0.06416157324931894
Energy: 0.4783706525826879
Energy: 0.0641615732503482
Energy: 0.012105196737789179
Energy: 0.0642177460205723
Energy: 0.47923232654781533
Energy: 0.06421774601987952

minimum gb energy = 0.01181210501865985 eV
minimum distance =  2.81598470583975 Angstroms
sigma value = 1