Model name: model_name=MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.360264280659711
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.501026861428879e-19, 4.6330141725378e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010353198206299936
Energy: 0.2676039791927813
Energy: 0.010925703482785721
Energy: 0.012019443182083983
Energy: 0.26793065804307414
Energy: 0.010818103682828383
Energy: 0.2676039791538394
Energy: 0.04968479563890937
Energy: 0.049761743057292945
Energy: 0.04982678092716911
Energy: 0.049648889275215685
Energy: 0.04974139258296716
Energy: 0.010925703482785721
Energy: 0.04976174305704241
Energy: 0.05155514369939883
Energy: 0.011183043406131899
Energy: 0.04978952961206115
Energy: 0.05102998135204411
Energy: 0.012019443181833463
Energy: 0.04982678092694643
Energy: 0.01118304340588138
Energy: 0.010557085075243382
Energy: 0.04989315603295275
Energy: 0.011973242824726714
Energy: 0.26793065647312264
Energy: 0.0496488892754662
Energy: 0.04978952961206115
Energy: 0.04989315603345379
Energy: 0.04967411016069943
Energy: 0.04986939248907902
Energy: 0.010818103682577861
Energy: 0.04974139258271664
Energy: 0.05102998135204411
Energy: 0.011973242824726714
Energy: 0.04986939248932954
Energy: 0.010830780435639061

minimum gb energy = 0.010353198206299936 eV
minimum distance =  2.85320628513162 Angstroms
sigma value = 1


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

Energy: 0.7454004946770675
Energy: 0.591423913068508
Energy: 0.5546179177806887
Energy: 0.5639274409977514
Energy: 0.5831966558089917
Energy: 0.5550095788929732
Energy: 0.7189462515696127
Energy: 0.5310184150196886
Energy: 0.5309643908797601
Energy: 0.5531583424278465
Energy: 0.5311746456488677
Energy: 0.53069144561137
Energy: 0.7646792824119811
Energy: 0.5308780229526291
Energy: 0.5310824284520573
Energy: 0.5428749029454092
Energy: 0.5308775735390412
Energy: 0.5307813439372573
Energy: 0.7662852759638494
Energy: 0.5309182656981069
Energy: 0.5398950884440467
Energy: 0.5427925272891201
Energy: 0.5311160381496695
Energy: 0.537572626257424
Energy: 0.7201727978026229
Energy: 0.5351416305894267
Energy: 0.5451973845216387
Energy: 0.5591450338909877
Energy: 0.5324732308240122
Energy: 0.5552368557004796
Energy: 0.7117381070311986
Energy: 0.5536900000614091
Energy: 0.55743611436969
Energy: 0.5644538113563052
Energy: 0.5516374256495462
Energy: 0.5585635503726705
Energy: 0.713919883054372
Energy: 0.5582517827051346
Energy: 0.5564139943832488
Energy: 0.5621223221181617
Energy: 0.5708851041525683
Energy: 0.5598822832532071
Energy: 0.6834951484947014
Energy: 0.5608185741063935
Energy: 0.5555550979944675
Energy: 0.5571531466248754
Energy: 0.5451501449270891
Energy: 0.5567522383461428
Energy: 0.6154614280006969
Energy: 0.5592238330750354
Energy: 0.5582575686442067
Energy: 0.5530115499442371
Energy: 0.5640432840015269
Energy: 0.5563405275559544
Energy: 0.6157898760366336
Energy: 0.5538047402930477
Energy: 0.5411526058259846
Energy: 0.5333079798858499
Energy: 0.5535305122073225
Energy: 0.5307496042087348
Energy: 0.5890871023522753
Energy: 0.547613728436642
Energy: 0.5478166488654972
Energy: 0.6318735289499933
Energy: 0.5433788548362277
Energy: 0.5307906905700271
Energy: 0.5327925210327826
Energy: 0.5427613699383972
Energy: 0.5306219364092668
Energy: 0.5327276416028041
Energy: 0.5160617874401785
Energy: 0.5308423550210235
Energy: 0.5309481389825065
Energy: 0.533634499707017
Energy: 0.5309133988251877
Energy: 0.5311128771572169
Energy: 0.5348410811223601
Energy: 0.5310318264032415
Energy: 0.5591983335411611
Energy: 0.5459301697562607
Energy: 0.5412783518905327
Energy: 0.5310859066870102
Energy: 0.5380534946539254
Energy: 0.5314168501603971
Energy: 0.5605824256078181
Energy: 0.5336246113311076
Energy: 0.5308397963922934
Energy: 0.5331402581856504
Energy: 0.5606561994504966
Energy: 0.5310959208693916
Energy: 0.5613885022767069
Energy: 0.5440564002811474
Energy: 0.5444789560740219
Energy: 0.5481720617332669
Energy: 0.5509007092825597
Energy: 0.5443241407900684
Energy: 0.6695610601348276
Energy: 0.5526023822393903
Energy: 0.5557829939100772
Energy: 0.5443000043906072
Energy: 0.5539925651200974
Energy: 0.5447408606897947
Energy: 0.6661256766822096
Energy: 0.5622793376038847
Energy: 0.5585246215597844
Energy: 0.5428074438754591
Energy: 0.5582053396631478
Energy: 0.5600309529426977
Energy: 0.6585528314035957
Energy: 0.5570343625463006
Energy: 0.559197581555162
Energy: 0.5538673814476724
Energy: 0.5498026506447514
Energy: 0.5585890828765077
Energy: 0.6788717773253614
Energy: 0.54188928218212
Energy: 0.5598992584696492
Energy: 0.554868815448464
Energy: 0.5445818637079713
Energy: 0.5578315497053837
Energy: 0.7338500601013637
Energy: 0.54372892283324
Energy: 0.5477787429701131
Energy: 0.5475861241112191
Energy: 0.5425881576118575
Energy: 0.5388203371580341
Energy: 0.7339746920325206
Energy: 0.5462234689963473
Energy: 0.5443582337777798
Energy: 0.5625704381028813
Energy: 0.5461057563710748
Energy: 0.5443235981048015
Energy: 0.7457290104068471
Energy: 0.5311299353826705
Energy: 0.5308265123263551
Energy: 0.5476654561687423
Energy: 0.531183614021924
Energy: 0.5308635459794345

minimum gb energy = 0.5160617874401785 eV
minimum distance =  2.64009004262364 Angstroms
sigma value = 33


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

Energy: 1.0143717553861755
Energy: 0.5425795783015426
Energy: 0.5489094217062277
Energy: 0.5472529263250364
Energy: 0.5883176426058563
Energy: 0.5848469491973318
Energy: 0.7304066898883038
Energy: 0.5407809901820976
Energy: 0.5411329927566066
Energy: 0.5599138391158597
Energy: 0.5423665816910489
Energy: 0.5800272088900955
Energy: 0.6891309626241802
Energy: 0.5811329663446853
Energy: 0.5563092538489315
Energy: 0.5609177682432327
Energy: 0.5581164603480256
Energy: 0.578847724602129
Energy: 0.741209959158288
Energy: 0.5770314914071614
Energy: 0.5795561543124266
Energy: 0.5642086057655598
Energy: 0.5789792685910877
Energy: 0.5622285965744881
Energy: 0.6984192789979733
Energy: 0.5785113784191784
Energy: 0.5799881850116667
Energy: 0.5673438118628802
Energy: 0.5800338146651749
Energy: 0.5782975249054594
Energy: 0.7395504938456527
Energy: 0.58289372096913
Energy: 0.5813536344644096
Energy: 0.5950162268126594
Energy: 0.5787497404959312
Energy: 0.5929414975873248
Energy: 0.7391277851938558
Energy: 0.589990724715129
Energy: 0.5981951329451731
Energy: 0.5813204412676541
Energy: 0.5882750905543311
Energy: 0.5874658994244415
Energy: 0.6955572155095247
Energy: 0.5652275138120002
Energy: 0.5710281238853376
Energy: 0.5986706522284236
Energy: 0.5662241473119457
Energy: 0.5698844841245262
Energy: 0.6313801188333985
Energy: 0.5734833288117428
Energy: 0.5873062439752437
Energy: 0.579283957435611
Energy: 0.5649574497358015
Energy: 0.5842750806009813
Energy: 0.6339824734722409
Energy: 0.5845616504686326
Energy: 0.5759182299423976
Energy: 0.5754586980583298
Energy: 0.5837352239384823
Energy: 0.5740145925813157
Energy: 0.6132725218348853
Energy: 0.5298542704610304
Energy: 0.5293415156577544
Energy: 0.6125595773903761
Energy: 0.5298015830474743
Energy: 0.5293475050217351
Energy: 0.5757739614797215
Energy: 0.5296706074359477
Energy: 0.5736611841801788
Energy: 0.5734309091043333
Energy: 0.5499442667824322
Energy: 0.5747352518822506
Energy: 0.5761909666712031
Energy: 0.5843806013659638
Energy: 0.5729536608017634
Energy: 0.5735513753188745
Energy: 0.5828911545332003
Energy: 0.5741790442206173
Energy: 0.63523873564217
Energy: 0.5624557678405435
Energy: 0.5623995383887408
Energy: 0.574778834671528
Energy: 0.5645427075817525
Energy: 0.5750279363064129
Energy: 0.6283429217224458
Energy: 0.5980583537460359
Energy: 0.5744999687524863
Energy: 0.5759553231975146
Energy: 0.5894235163945992
Energy: 0.5743113198230141
Energy: 0.6271597912041109
Energy: 0.5918654673507859
Energy: 0.5914795228653923
Energy: 0.5799068165638602
Energy: 0.5903052104909905
Energy: 0.594311703401993
Energy: 0.6880442401664439
Energy: 0.590571084298332
Energy: 0.5889606315944864
Energy: 0.6048832479634343
Energy: 0.5895271862471334
Energy: 0.5735049164154221
Energy: 0.6811227515699771
Energy: 0.5952291921624546
Energy: 0.5905351014143746
Energy: 0.5517052275715214
Energy: 0.6002178289154833
Energy: 0.5699829582446371
Energy: 0.6791741711172828
Energy: 0.5652961056343997
Energy: 0.5926251756507953
Energy: 0.5649623791831369
Energy: 0.5682453383033327
Energy: 0.549685490213985
Energy: 0.7055085229289271
Energy: 0.5414357853396002
Energy: 0.5910369744694468
Energy: 0.5908277368801051
Energy: 0.5423782919246132
Energy: 0.5539146320804719
Energy: 0.7646465004179926
Energy: 0.5426256061969239
Energy: 0.5534350902924369
Energy: 0.5528908416137134
Energy: 0.5431144609054231
Energy: 0.5299113993860103
Energy: 0.7180070240064916
Energy: 0.5411390728778082
Energy: 0.5409876600203454
Energy: 0.56235070686854
Energy: 0.5409329631125019
Energy: 0.5407495580810193
Energy: 0.698060849057939
Energy: 0.5584169672055445
Energy: 0.580898557377897
Energy: 0.5898911772811087
Energy: 0.5415379893945186
Energy: 0.5571003633767262
Energy: 0.7432780076592065
Energy: 0.6085600364880425
Energy: 0.5861895648825316
Energy: 0.5658617748471847
Energy: 0.6284844593265545
Energy: 0.5749955129173048
Energy: 0.6976947879110688
Energy: 0.5804896712263243
Energy: 0.5782036724418242
Energy: 0.5977507999200072
Energy: 0.5787317125567002
Energy: 0.5797739842930693
Energy: 0.7431030869690316
Energy: 0.5833005009207861
Energy: 0.5916324492496451
Energy: 0.5927967547772718
Energy: 0.5836182599261199
Energy: 0.595566342548106
Energy: 0.7432824565462083
Energy: 0.5862602549583572
Energy: 0.5868973185193508
Energy: 0.5864840546545934
Energy: 0.5896630923883547
Energy: 0.586445315577857
Energy: 0.6972894992499876
Energy: 0.5727190349436512
Energy: 0.5698970180946783
Energy: 0.5979322529877606
Energy: 0.5643928870489021
Energy: 0.5889779853517407
Energy: 0.6358406817851403
Energy: 0.57326534551787
Energy: 0.5730804880945796
Energy: 0.5874423570394562
Energy: 0.575719816570764
Energy: 0.5879635359063454
Energy: 0.6326434904038046
Energy: 0.5846672430305113
Energy: 0.5847115260998429
Energy: 0.5841225695201903
Energy: 0.5782993517831136
Energy: 0.5849342889154987
Energy: 0.6337153160214558
Energy: 0.5296073059735368
Energy: 0.5296774504971424
Energy: 0.5732962124213656
Energy: 0.5301620231760323
Energy: 0.5298365639203705
Energy: 0.5800323382608057
Energy: 0.5297260622785388
Energy: 0.5296677106643664
Energy: 0.5782841300057029
Energy: 0.546547582306618
Energy: 0.5730535723106062
Energy: 0.575378927485287
Energy: 0.5833907885936166
Energy: 0.5754541637202588
Energy: 0.5745809460242046
Energy: 0.5840715490296295
Energy: 0.5743134193105938
Energy: 0.5741002593848608
Energy: 0.5623601355255852
Energy: 0.5625293934954481
Energy: 0.5730959059464428
Energy: 0.5624147597358394
Energy: 0.563069343903092
Energy: 0.624816274425668
Energy: 0.5861762518533056
Energy: 0.5741796557584018
Energy: 0.5755055826899254
Energy: 0.589688955330978
Energy: 0.5745919593791439
Energy: 0.6255793723115984
Energy: 0.5918312175811584
Energy: 0.5892985093782648
Energy: 0.5925414288124207
Energy: 0.5895307656396079
Energy: 0.5904250650748247
Energy: 0.6246909386676134
Energy: 0.6076709358087831
Energy: 0.5952710241415397
Energy: 0.5830237647969755
Energy: 0.591514594609324
Energy: 0.6043616556931601
Energy: 0.6787470021031552
Energy: 0.5908561274809708
Energy: 0.5931860904626929
Energy: 0.553786867235674
Energy: 0.5929290298386293
Energy: 0.5905822533623725
Energy: 0.681591375929432
Energy: 0.594392010012092
Energy: 0.5497271071057511
Energy: 0.5514497965965193
Energy: 0.561594020766227
Energy: 0.5705245513358037
Energy: 0.69891205799436
Energy: 0.5733002545519615
Energy: 0.5532444501174905
Energy: 0.5580062822441326
Energy: 0.552167813526711
Energy: 0.5914402005977031
Energy: 0.8108982565617506
Energy: 0.5406462574470947
Energy: 0.5297555361194571
Energy: 0.5301748279785162
Energy: 0.5408683724366957
Energy: 0.5523093375139094

minimum gb energy = 0.5293415156577544 eV
minimum distance =  2.52996333550925 Angstroms
sigma value = 51


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

Energy: 0.8946440798432383
Energy: 0.5929800209946111
Energy: 0.5991518410527531
Energy: 0.7080221970575913
Energy: 0.5793328681500691
Energy: 0.5761174027900299
Energy: 0.6427347473314003
Energy: 0.548878049644644
Energy: 0.5493507076790038
Energy: 0.5183775889585023
Energy: 0.5492953596697435
Energy: 0.5489848178256438
Energy: 0.6743663861704423
Energy: 0.5488079023341571
Energy: 0.5487057861762776
Energy: 0.5453463075888866
Energy: 0.549307850510409
Energy: 0.5491689040115876
Energy: 0.716824253059069
Energy: 0.5512158938081627
Energy: 0.5337843055904584
Energy: 0.5364574227436784
Energy: 0.6023148730345006
Energy: 0.5383750984860611
Energy: 0.6426767042447356
Energy: 0.54941056407346
Energy: 0.5498573552847228
Energy: 0.5401925942717714
Energy: 0.5517709257309857
Energy: 0.5611632648831907
Energy: 0.6460295794096476
Energy: 0.5463054728909531
Energy: 0.5509476282815401
Energy: 0.5399638065023767
Energy: 0.5457066832135032
Energy: 0.5535989230749869
Energy: 0.650227262084117
Energy: 0.5554447171888961
Energy: 0.5540331073297095
Energy: 0.5402271549964675
Energy: 0.5527733995928825
Energy: 0.5619277698261729
Energy: 0.6224494964336961
Energy: 0.5236166902615386
Energy: 0.5239023013820796
Energy: 0.5825770106186307
Energy: 0.5453786748576454
Energy: 0.5237838136057374
Energy: 0.5518080302270164
Energy: 0.5622929740261542
Energy: 0.5617945581566453
Energy: 0.5516057284796257
Energy: 0.5491430811987217
Energy: 0.5490772037683794
Energy: 0.5505177182848657
Energy: 0.5495812650494917
Energy: 0.5492922610433306
Energy: 0.5504391505931491
Energy: 0.507710461217494
Energy: 0.5489972617391974
Energy: 0.5490126689345675
Energy: 0.5512992171005076
Energy: 0.5504955400103984
Energy: 0.5502192939958621
Energy: 0.5325753340322579
Energy: 0.5509884116625752
Energy: 0.5893389592254447
Energy: 0.5499513615402141
Energy: 0.5493946454953903
Energy: 0.54957051275845
Energy: 0.5527402944928979
Energy: 0.5492360702613067
Energy: 0.5815922124228348
Energy: 0.5489454352754705
Energy: 0.5751828010218668
Energy: 0.5658319361651967
Energy: 0.5661599046830541
Energy: 0.5544878454591479
Energy: 0.5806000849897429
Energy: 0.5369920205354821
Energy: 0.5369470138551099
Energy: 0.5500474361546002
Energy: 0.5369482789321608
Energy: 0.554891832215998
Energy: 0.6833775888153788
Energy: 0.5561627464813598
Energy: 0.5751851125232865
Energy: 0.5718571983859578
Energy: 0.5554195602176253
Energy: 0.549119050474882
Energy: 0.6794107101174515
Energy: 0.5448380953920923
Energy: 0.5544232006468095
Energy: 0.5466192801539765
Energy: 0.5536840091041143
Energy: 0.5472620460822276
Energy: 0.6786762336428431
Energy: 0.5537899392357095
Energy: 0.5536391961734293
Energy: 0.5650330778342564
Energy: 0.5673218222483503
Energy: 0.5538789321156721
Energy: 0.7523926910283764
Energy: 0.5490947777286188
Energy: 0.5398872024331663
Energy: 0.5584179696174759
Energy: 0.5492756089092197
Energy: 0.5391731975500486

minimum gb energy = 0.507710461217494 eV
minimum distance =  2.64496215535811 Angstroms
sigma value = 19


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

Energy: 0.7494279924296179
Energy: 0.7487732878421145
Energy: 0.5219552755619714
Energy: 0.6201850600752956
Energy: 0.7538294859536918
Energy: 0.622572940425065
Energy: 0.6295559667870941
Energy: 0.5111148853862818
Energy: 0.5122736413483917
Energy: 0.5048484106660243
Energy: 0.5115059132958465
Energy: 0.511831742677743
Energy: 0.592239044226553
Energy: 0.5118671236765903
Energy: 0.5122920646731193
Energy: 0.5254960722127924
Energy: 0.5116853719505073
Energy: 0.5718216881212527
Energy: 0.6271315955575646
Energy: 0.5117146973981098
Energy: 0.5122050335479384
Energy: 0.5240533830509959
Energy: 0.5532153793916564
Energy: 0.5125890423056373
Energy: 0.5525876107545353
Energy: 0.5114125325840264
Energy: 0.511612061928928
Energy: 0.5047381397562418
Energy: 0.5116681406063578
Energy: 0.5114355526027317
Energy: 0.5924263848949151
Energy: 0.50120683736216
Energy: 0.5257867167681681
Energy: 0.5252612124309112
Energy: 0.501109767003753
Energy: 0.5249934298110677
Energy: 0.5920715361937597
Energy: 0.525865033824579
Energy: 0.525455785205824
Energy: 0.5116851665704201
Energy: 0.5047639673563419
Energy: 0.5115876717855103
Energy: 0.5521849376785499
Energy: 0.4650401909103056
Energy: 0.5014036374121699
Energy: 0.552505227453037
Energy: 0.46508472706046705
Energy: 0.5014617417499448
Energy: 0.5112500822087018
Energy: 0.5199591782446119
Energy: 0.5216833275099062
Energy: 0.5110266025019166
Energy: 0.5010366614895924
Energy: 0.5198373812341327
Energy: 0.5127217430641403
Energy: 0.5263565458228963
Energy: 0.511532275803833
Energy: 0.5116431864889527
Energy: 0.5042110079231259
Energy: 0.511293105563543
Energy: 0.5105629303936985
Energy: 0.566920340226769
Energy: 0.567601052790512
Energy: 0.5107427837881692
Energy: 0.5681653798581657
Energy: 0.5113055716043505
Energy: 0.6285145249028871
Energy: 0.5249125806701399
Energy: 0.5261933412883774
Energy: 0.5118183908713768
Energy: 0.5255979433202765
Energy: 0.5112463996678511
Energy: 0.5006802316579403
Energy: 0.5111729691984762
Energy: 0.5261636443760104
Energy: 0.5023137728296071
Energy: 0.5120820847556445
Energy: 0.5251166841478835
Energy: 0.6291263341177656
Energy: 0.525556974668825
Energy: 0.526478456419026
Energy: 0.5119892423245537
Energy: 0.570164099027645
Energy: 0.525503261589314
Energy: 0.7422933047227355
Energy: 0.5122686043050645
Energy: 0.5118884429053534
Energy: 0.5008599931048298
Energy: 0.5115454539405745
Energy: 0.5213457426941401
Energy: 0.6804558972843089
Energy: 0.5113412375505276
Energy: 0.5016378033327016
Energy: 0.4847163625889531
Energy: 0.510896158146345
Energy: 0.501767647177276
Energy: 0.6285277965318112
Energy: 0.5111928230654785
Energy: 0.5118921386610701
Energy: 0.5050936869902423
Energy: 0.5119016226173381
Energy: 0.5115507822274254
Energy: 0.6304688857755641
Energy: 0.5116497404822143
Energy: 0.5120278517576775
Energy: 0.5073074074723378
Energy: 0.5111119259882095
Energy: 0.5122705064769668
Energy: 0.627586046336
Energy: 0.5118767647142388
Energy: 0.5255508280115329
Energy: 0.507296065079289
Energy: 0.511447218891733
Energy: 0.5250041142582638
Energy: 0.628783297350462
Energy: 0.5011110786682682
Energy: 0.5116640435945736
Energy: 0.5119229818916773
Energy: 0.5010010867050464
Energy: 0.5252328865083828
Energy: 0.6274843640489437
Energy: 0.5115229684598261
Energy: 0.5117199929901267
Energy: 0.5687729676476292
Energy: 0.5116394184861365
Energy: 0.5253767417185822
Energy: 0.6287546258373641
Energy: 0.525227609223998
Energy: 0.5266899993846141
Energy: 0.5116962546588975
Energy: 0.5258512356035538
Energy: 0.5112792582832957
Energy: 0.5544251165048232
Energy: 0.5012062076521667
Energy: 0.5007890574054757
Energy: 0.5544995072066476
Energy: 0.5015424401216928
Energy: 0.5223886251199895
Energy: 0.5113663537242907
Energy: 0.5267919538892384
Energy: 0.5118294663302457
Energy: 0.5113995579694106
Energy: 0.500698534428869
Energy: 0.5111138219199941
Energy: 0.5114641716813648
Energy: 0.5250151765804781
Energy: 0.5256430792713395
Energy: 0.5115846977170458
Energy: 0.5257720036066516
Energy: 0.511588239055543
Energy: 0.5533030976494079
Energy: 0.5675559347347675
Energy: 0.5248919636107121
Energy: 0.5533990719268116
Energy: 0.5690667877568402
Energy: 0.5123381109059061
Energy: 0.5918888741888028
Energy: 0.5261499653295839
Energy: 0.5708975498481332
Energy: 0.5115370654565463
Energy: 0.5044502094333229
Energy: 0.5115190811995073
Energy: 0.5007813902439986
Energy: 0.5092087126271064
Energy: 0.5256127316159456
Energy: 0.5008825676003794
Energy: 0.5253883139777559
Energy: 0.5250833169153035
Energy: 0.5516960809162833
Energy: 0.5112156264555524
Energy: 0.5261881730858842
Energy: 0.5120564035651316
Energy: 0.511608133264532
Energy: 0.525380539966928
Energy: 0.6822069367527508
Energy: 0.5113775239579247
Energy: 0.5012565983589845
Energy: 0.46519018306721194
Energy: 0.5525466326159049
Energy: 0.5011767800554652

minimum gb energy = 0.4650401909103056 eV
minimum distance =  2.70212102071026 Angstroms
sigma value = 27


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

Energy: 0.6404773225740025
Energy: 0.5330140023586823
Energy: 0.591839215083819
Energy: 0.5775838149863713
Energy: 0.6823148333855495
Energy: 0.5920247373636749
Energy: 0.6057639816347327
Energy: 0.5296045766520983
Energy: 0.5296192021344142
Energy: 0.5366448780088747
Energy: 0.5294588684939051
Energy: 0.5296220144878925
Energy: 0.5733751028266472
Energy: 0.5301676612820958
Energy: 0.5288595113975179
Energy: 0.5086546024172802
Energy: 0.5311749182435257
Energy: 0.5290738198528544
Energy: 0.5756124875588221
Energy: 0.5531834112539059
Energy: 0.5307023094688715
Energy: 0.5113392795892739
Energy: 0.6219242432209521
Energy: 0.5072258166515287
Energy: 0.607095781044628
Energy: 0.5564517457324398
Energy: 0.5070409086938887
Energy: 0.5555767331750568
Energy: 0.5532889140391717
Energy: 0.4908060368368397
Energy: 0.5285085956278197
Energy: 0.5573293707222363
Energy: 0.5561161488210631
Energy: 0.5285604644753796
Energy: 0.552380588631662
Energy: 0.4793906734287042
Energy: 0.5303922589207971
Energy: 0.513495364760246
Energy: 0.5116608033089283
Energy: 0.531049228700679
Energy: 0.5241450520782188
Energy: 0.5289759318504003
Energy: 0.5295812442181075
Energy: 0.5051037589015599
Energy: 0.5049999284117975
Energy: 0.5296609030247917
Energy: 0.5046767393207738
Energy: 0.5281666934406659
Energy: 0.5731863699602573
Energy: 0.5706280626751545
Energy: 0.5186310316305438
Energy: 0.5297819855717948
Energy: 0.5057050157283689
Energy: 0.5109254379132729
Energy: 0.5751829266630627
Energy: 0.5119703424910504
Energy: 0.5194399085283761
Energy: 0.5351642339726731
Energy: 0.5303562844551524
Energy: 0.49668828994896147
Energy: 0.5730879247641468
Energy: 0.5413255884574031
Energy: 0.5426518805014239
Energy: 0.5312141295654024
Energy: 0.5405642351388305
Energy: 0.5421889330375677
Energy: 0.5354185367603342
Energy: 0.5302329903380576
Energy: 0.5301357758847111
Energy: 0.522795482997399
Energy: 0.5299462256771954
Energy: 0.5308314694098295

minimum gb energy = 0.4793906734287042 eV
minimum distance =  2.6294927991586 Angstroms
sigma value = 9


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

Energy: 0.9534786552470697
Energy: 0.9565005152668146
Energy: 0.5296576228695797
Energy: 0.5722392732491337
Energy: 1.006662417285316
Energy: 0.5725166056619394
Energy: 0.49724739675026425
Energy: 0.4891035217446575
Energy: 0.4895917148224699
Energy: 0.5124675690346601
Energy: 0.48909946563526246
Energy: 0.4897439820103617
Energy: 0.49783572155251027
Energy: 0.4783665845242381
Energy: 0.47856627242883903
Energy: 0.4646233767651469
Energy: 0.48003841227564126
Energy: 0.47852244292477325
Energy: 0.5004970404629098
Energy: 0.49112572331448134
Energy: 0.4927213386734474
Energy: 0.4646747766320539
Energy: 0.5327605415543224
Energy: 0.49548831040226493
Energy: 0.5518844307814275
Energy: 0.5521965536259144
Energy: 0.5183935182837446
Energy: 0.5520625661450018
Energy: 0.5153360553124954
Energy: 0.5267131800131813
Energy: 0.5078529241316226
Energy: 0.5776614287471263
Energy: 0.5224491900683824
Energy: 0.5079725685051477
Energy: 0.5810536632803299
Energy: 0.5125213774145626
Energy: 0.5157653970311123
Energy: 0.5054899201504701
Energy: 0.516868592895149
Energy: 0.5165896916754684
Energy: 0.4922885094216864
Energy: 0.5165043003452903
Energy: 0.4993590696549677
Energy: 0.5369753384673196
Energy: 0.5009829773567405
Energy: 0.49934907264218104
Energy: 0.5386178636210974
Energy: 0.49929587785968665
Energy: 0.5282940691976372
Energy: 0.5175608495515571
Energy: 0.5403379726489693
Energy: 0.5402505164509322
Energy: 0.5090864875023786
Energy: 0.484211955466454
Energy: 0.46246659008381025
Energy: 0.5110130603867992
Energy: 0.5011401373090715
Energy: 0.4276753781159752
Energy: 0.5291330561241674
Energy: 0.4761101074649187
Energy: 0.4672194020453679
Energy: 0.49886228673370764
Energy: 0.49877711189437396
Energy: 0.42739167903510383
Energy: 0.4993747595249918
Energy: 0.49850436152906646
Energy: 0.550600232198558
Energy: 0.5082252662470343
Energy: 0.5081651948222297
Energy: 0.509530475980387
Energy: 0.5091608136637521
Energy: 0.5079961495543909
Energy: 0.8424614115101412
Energy: 0.49144802260214937
Energy: 0.6459485015017329
Energy: 0.7026083120784952
Energy: 0.4916559212587097
Energy: 0.688655252398912
Energy: 0.5312497322096704
Energy: 0.5004103739182719
Energy: 0.5006610944204574
Energy: 0.5182649351928955
Energy: 0.5005180672996126
Energy: 0.5046428986755364
Energy: 0.47817201762184364
Energy: 0.5012933002048188
Energy: 0.49996663173788053
Energy: 0.48010070827098256
Energy: 0.5004826517876414
Energy: 0.5577778035204929
Energy: 0.4802864514739371
Energy: 0.5101621632512175
Energy: 0.4789593806739366
Energy: 0.47929257930584634
Energy: 0.4943496476043075
Energy: 0.47857402409980093
Energy: 0.4889680969918548
Energy: 0.5669545991262895
Energy: 0.5008432213862367
Energy: 0.48944348882569155
Energy: 0.5170374757251869
Energy: 0.4887870948431356
Energy: 0.545280628682293
Energy: 0.5007575097158227
Energy: 0.5197606926736913
Energy: 0.5453489370705661
Energy: 0.5003175104787186
Energy: 0.5198918000298809
Energy: 0.4981182184216269
Energy: 0.49575958015507565
Energy: 0.4591180540411637
Energy: 0.4808496713893106
Energy: 0.49291277496806774
Energy: 0.4789150882419856
Energy: 0.4999500668950099
Energy: 0.47988192220425113
Energy: 0.4791499573933192
Energy: 0.4793963413014105
Energy: 0.4798224557133936
Energy: 0.4788613408980074
Energy: 0.4974915716287746
Energy: 0.4806950917825717
Energy: 0.4791076866229126
Energy: 0.48003482909694195
Energy: 0.480784268528156
Energy: 0.48522076455322277
Energy: 0.5589384341621882
Energy: 0.4893363923187225
Energy: 0.5127399301162797
Energy: 0.4962008449623143
Energy: 0.5454562395071059
Energy: 0.5214590398301348
Energy: 0.5984402491781872
Energy: 0.4896099634452962
Energy: 0.488910709563649
Energy: 0.5156091546253581
Energy: 0.4893427200288209
Energy: 0.5067568736140178
Energy: 0.49767782901414886
Energy: 0.4783122635260192
Energy: 0.4784250448487899
Energy: 0.5010191546258925
Energy: 0.4809418992938076
Energy: 0.4786202384569278
Energy: 0.6329416909128261
Energy: 0.4793695075044991
Energy: 0.4782608345885406
Energy: 0.566617374769599
Energy: 0.478710531849655
Energy: 0.5579424415972235
Energy: 0.5449200571926985
Energy: 0.48133178371589547
Energy: 0.477591902842169
Energy: 0.500252954820756
Energy: 0.5192486555868899
Energy: 0.5030973655105546
Energy: 0.5620070378437504
Energy: 0.6110292181025043
Energy: 0.6165542323368332
Energy: 0.5618958834051405
Energy: 0.6139640733559426
Energy: 0.5118952205653512
Energy: 0.5093684770873053
Energy: 0.5043318986928405
Energy: 0.5078163816657788
Energy: 0.5101418839745727
Energy: 0.49166326992951537
Energy: 0.509423052374907
Energy: 0.4998794927129687
Energy: 0.5165830255042587
Energy: 0.4920300500685879
Energy: 0.500320022872135
Energy: 0.5029427730879551
Energy: 0.49952931993363026
Energy: 0.5293878835210427
Energy: 0.5366062734433874
Energy: 0.502436846882245
Energy: 0.52945826628771
Energy: 0.5387710534109917
Energy: 0.5013675402201112
Energy: 0.45912468276181945
Energy: 0.48510046664917994
Energy: 0.4844021963532235
Energy: 0.5024920526018719
Energy: 0.49419921208924156
Energy: 0.5261407052788031
Energy: 0.7299191355836954
Energy: 0.49885836892426755
Energy: 0.4989148549287934
Energy: 0.4796281491600619
Energy: 0.49883563710787276
Energy: 0.47618141563103544
Energy: 0.5693190739531491
Energy: 0.5098704027868156
Energy: 0.5095497292475352
Energy: 0.4912840261063514
Energy: 0.5102676371714239
Energy: 0.5093275584159624
Energy: 0.5098700866310403
Energy: 0.5084302203676297
Energy: 0.5082531319291607
Energy: 0.4860135302033663
Energy: 0.50877657025927
Energy: 0.5005092695383789
Energy: 0.5331856645941356
Energy: 0.49855624953488903
Energy: 0.4982385609463109
Energy: 0.5180871054774454
Energy: 0.49983097022492495
Energy: 0.5431097405039786
Energy: 0.5327747247689651
Energy: 0.49594440587129934
Energy: 0.49464827363024644
Energy: 0.5330117785956566
Energy: 0.49651925860944157
Energy: 0.4939433942003051
Energy: 0.47889814943263176
Energy: 0.4781364392951518
Energy: 0.4681992731046651
Energy: 0.4795986701221225
Energy: 0.4649852593125003
Energy: 0.4786477373276451
Energy: 0.48915949160795497
Energy: 0.5128929754950404
Energy: 0.4900650754427569
Energy: 0.4891809537694484
Energy: 0.5053027696373957
Energy: 0.48947382184394544
Energy: 0.489000736752065
Energy: 0.6778349348727827
Energy: 0.6893761581633377
Energy: 0.48930314261730506
Energy: 0.7022983488391756
Energy: 0.5458426600430651
Energy: 0.5457167963481221
Energy: 0.47909988817992644
Energy: 0.4778259280662588
Energy: 0.48901930738211025
Energy: 0.5091790634475702
Energy: 0.4891857434653232
Energy: 0.4982031472847828
Energy: 0.47939376227186686
Energy: 0.49588812660153475
Energy: 0.4812540458036856
Energy: 0.4791544851170669
Energy: 0.47935727617518037
Energy: 0.4971743609323758
Energy: 0.480444088291069
Energy: 0.4797305422086429
Energy: 0.48067610714161874
Energy: 0.4799820574402412
Energy: 0.4844643544527242
Energy: 0.599023002369679
Energy: 0.489286936383275
Energy: 0.4890664472174979
Energy: 0.505645898129975
Energy: 0.48931448144746736
Energy: 0.5402110275954358

minimum gb energy = 0.42739167903510383 eV
minimum distance =  2.57683193329945 Angstroms
sigma value = 57


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

Energy: 0.3217290254199623
Energy: 0.39333207408278487
Energy: 0.2834160303709018
Energy: 0.27780846611892074
Energy: 0.41526237705098556
Energy: 0.322163976625395
Energy: 0.3964978016931961
Energy: 0.3773858079380882
Energy: 0.38149324554671626
Energy: 0.36908525327313213
Energy: 0.3718142985475248
Energy: 0.377919153146662
Energy: 0.39538640180857676
Energy: 0.37508649358287727
Energy: 0.37978619057240404
Energy: 0.38769508879284714
Energy: 0.37600868403793136
Energy: 0.37510605001768127
Energy: 0.3968455149639728
Energy: 0.3904075259637323
Energy: 0.3878372570777109
Energy: 0.3887784197698561
Energy: 0.38788954746360477
Energy: 0.39300065909870646
Energy: 0.3975513525591624
Energy: 0.2766464819522174
Energy: 0.29445711305018873
Energy: 0.41305161583731054
Energy: 0.2765032354698064
Energy: 0.38961755295679856
Energy: 0.37417619917652856
Energy: 0.276524239199718
Energy: 0.276766432784237
Energy: 0.36255520266570457
Energy: 0.2763903720465435
Energy: 0.29149526601949954
Energy: 0.3742840798832388
Energy: 0.3700320724477653
Energy: 0.3689718497865866
Energy: 0.38445116959745584
Energy: 0.38315179797512683
Energy: 0.38713355047209297
Energy: 0.3741235143436484
Energy: 0.3982077178239195
Energy: 0.3779968319290781
Energy: 0.3736378033244973
Energy: 0.3979033677023657
Energy: 0.3774295359976728
Energy: 0.3981772324339978
Energy: 0.3854586825148317
Energy: 0.38157713717062436
Energy: 0.3798943627715458
Energy: 0.384449504261082
Energy: 0.3812724510744814
Energy: 0.28083219245543695
Energy: 0.39779449325479055
Energy: 0.29216272492713546
Energy: 0.2763873152623148
Energy: 0.40103971731007176
Energy: 0.27703263019704233
Energy: 0.2763744489123887
Energy: 0.3822766457560901
Energy: 0.3813543595257878
Energy: 0.27640866900207356
Energy: 0.38287433148821887
Energy: 0.29406158754171174
Energy: 0.39948575812363124
Energy: 0.3844159897602701
Energy: 0.3836111656443819
Energy: 0.3809406602328367
Energy: 0.37600542049555136
Energy: 0.38432375550203407
Energy: 0.8678569716648634
Energy: 0.3985012007294705
Energy: 0.3973443473952388
Energy: 0.3969880189052742
Energy: 0.39918688198693414
Energy: 0.3987415403703814
Energy: 0.39871532170861074
Energy: 0.3740042493129694
Energy: 0.3825887496309496
Energy: 0.40777734739347693
Energy: 0.38320178028581736
Energy: 0.37356970115643023
Energy: 0.3848813716186623
Energy: 0.27657876199272796
Energy: 0.27650683868897524
Energy: 0.36678413233705603
Energy: 0.27950145239063956
Energy: 0.2772429488483967
Energy: 0.3753331392670498
Energy: 0.3817123281917044
Energy: 0.3888249464073971
Energy: 0.3873168059802901
Energy: 0.27657011078180055
Energy: 0.3706878058301887
Energy: 0.3728945478988069
Energy: 0.37719248759463714
Energy: 0.38800747300835275
Energy: 0.38498900773952255
Energy: 0.38312552470040506
Energy: 0.3873351561439297
Energy: 0.3952077060475656
Energy: 0.3973180559666458
Energy: 0.37975874837143336
Energy: 0.40485716233671215
Energy: 0.380599790612456
Energy: 0.37568481700057466
Energy: 0.3219521775920842
Energy: 0.38096265635040355
Energy: 0.3810323689909171
Energy: 0.2765353103206135
Energy: 0.400062351300248
Energy: 0.392123087783259

minimum gb energy = 0.2763744489123887 eV
minimum distance =  2.68961924118115 Angstroms
sigma value = 11


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

Energy: 0.7776701751976849
Energy: 0.9001201692144964
Energy: 0.7290467659638364
Energy: 0.6632968403631267
Energy: 0.9003817952484969
Energy: 0.7358220050457331
Energy: 0.44751742038561676
Energy: 0.44085547428460653
Energy: 0.45120685752699086
Energy: 0.440060831993696
Energy: 0.448162319111764
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Energy: 0.45244864398605417
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Energy: 0.44637339280307425
Energy: 0.4561743999738805
Energy: 0.4680685517485185
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Energy: 0.449015648864356
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Energy: 0.4478991114168104
Energy: 0.4504746604196715
Energy: 0.43390989903251
Energy: 0.4476483337791757
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Energy: 0.450181835302475
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Energy: 0.47559884430349747
Energy: 0.5928639413117875
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Energy: 0.4756017320972978
Energy: 0.5995112999954132
Energy: 0.47568457151311055
Energy: 0.6297463788895308
Energy: 0.4802450543732541
Energy: 0.4287428004550684
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Energy: 0.4783373955746455
Energy: 0.4274122380655214
Energy: 0.5977376760389431
Energy: 0.5762620910891918
Energy: 0.5198038190080295
Energy: 0.5361543198107401
Energy: 0.6053465448585156
Energy: 0.4847814671210732
Energy: 0.5258845673682004
Energy: 0.47014300049756425
Energy: 0.44038271707146504
Energy: 0.4701054780298449
Energy: 0.4757509521029702
Energy: 0.42007181164519475
Energy: 0.5157308351318192
Energy: 0.46957104052907644
Energy: 0.43688315631830643
Energy: 0.45042319293158833
Energy: 0.4783784770054671
Energy: 0.4623400294159558
Energy: 0.5316788132690234
Energy: 0.55362520421259
Energy: 0.5289060732890531
Energy: 0.5015301205171125
Energy: 0.515901352093299
Energy: 0.5818282682939904
Energy: 0.6297588099235201
Energy: 0.47695593753341586
Energy: 0.4287174791227906
Energy: 0.44976363333642727
Energy: 0.4824789294225611
Energy: 0.4299774857204768
Energy: 0.44850927609231545
Energy: 0.6499573818073399
Energy: 0.5393325966705935
Energy: 0.44855946667610064
Energy: 0.6604786313728326
Energy: 0.5377898975039185
Energy: 0.4559066591663963
Energy: 0.43428974974825
Energy: 0.42840477281237926
Energy: 0.456109427707728
Energy: 0.43467127225452934
Energy: 0.4471107580688505
Energy: 0.44810473998667716
Energy: 0.4448214261493272
Energy: 0.4438088470979798
Energy: 0.4484531822370952
Energy: 0.44395439851409985
Energy: 0.44455187223254544
Energy: 0.4691238720879755
Energy: 0.4438222549587568
Energy: 0.44240893620972177
Energy: 0.4501800531414004
Energy: 0.44972804108814646
Energy: 0.4639152393620259
Energy: 0.6199618588124427
Energy: 0.4558784277849433
Energy: 0.4513183216725053
Energy: 0.48412597143426767
Energy: 0.44810287474124366
Energy: 0.42895432448664716

minimum gb energy = 0.42007181164519475 eV
minimum distance =  2.59699651416145 Angstroms
sigma value = 41


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

Energy: 0.7537417717552581
Energy: 0.7065397585833216
Energy: 0.5386943160689117
Energy: 0.6277072726781358
Energy: 0.5509562074602239
Energy: 0.5665591304098312
Energy: 0.47979146173725173
Energy: 0.46979574587119693
Energy: 0.45751140186685313
Energy: 0.4671235687402815
Energy: 0.4802022996763861
Energy: 0.4552881494125068
Energy: 0.48154729617340203
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Energy: 0.4805483520353513
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Energy: 0.44746187081125655
Energy: 0.5459371496766554
Energy: 0.5261343447548066
Energy: 0.5161464302750687
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Energy: 0.4802255579565589
Energy: 0.4799672571850069
Energy: 0.4561933482073384
Energy: 0.5110301312867529
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Energy: 0.4714347865697227
Energy: 0.5115374723488771
Energy: 0.48769331068181254
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Energy: 0.5436536942524524
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Energy: 0.4568032437730085
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Energy: 0.5761065935020416
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Energy: 0.45010385803970687
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Energy: 0.6401893029624097
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Energy: 0.42921153570576237
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Energy: 0.5159992713244104
Energy: 0.47987438694122064
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Energy: 0.7164933140637394
Energy: 0.6325551561623781
Energy: 0.4507072783058307
Energy: 0.6319449980147479
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Energy: 0.5597321998244558
Energy: 0.6037365524958394
Energy: 0.4855096660035529
Energy: 0.44776770440864855
Energy: 0.49707960031954906
Energy: 0.48141936426252024
Energy: 0.4292272913045986
Energy: 0.48154951666684714
Energy: 0.46900573355899555
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Energy: 0.4700305285828323
Energy: 0.46896212091812195
Energy: 0.4536870716894987
Energy: 0.4825856183135891
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Energy: 0.45376635469669135
Energy: 0.4807307892137441
Energy: 0.46900115244256396
Energy: 0.47118346439616254
Energy: 0.48154098963290154
Energy: 0.45609683352615815
Energy: 0.45670906205155065
Energy: 0.4814637347467105
Energy: 0.4751943580706622
Energy: 0.447061605529307
Energy: 0.6010120221614385
Energy: 0.6323988376041136
Energy: 0.5202088363177355
Energy: 0.7742772489839476
Energy: 0.6244140693808885
Energy: 0.511602359430073
Energy: 0.5451375979482324
Energy: 0.45714936289225844
Energy: 0.45674130985446587
Energy: 0.4797357664557838
Energy: 0.4775377087251487
Energy: 0.4553872271525736
Energy: 0.5188860833931045
Energy: 0.5104912892152536
Energy: 0.5005357391411742
Energy: 0.5112915163116235
Energy: 0.49990005204704036
Energy: 0.4412267062589439
Energy: 0.543235115618805
Energy: 0.474847310586164
Energy: 0.4555209571960595
Energy: 0.46988530855940214
Energy: 0.4741829048540224
Energy: 0.4452943842465669
Energy: 0.5442219707704025
Energy: 0.4796822745056611
Energy: 0.4674709601860671
Energy: 0.4799474917517948
Energy: 0.4749804528466591
Energy: 0.4508375936994792
Energy: 0.6141158231758787
Energy: 0.47527398850729136
Energy: 0.465993512286115
Energy: 0.5418674252006312
Energy: 0.6338431316884122
Energy: 0.4459687176203122
Energy: 0.611862029189572
Energy: 0.43852747825609967
Energy: 0.46226224069764604
Energy: 0.49067814928402276
Energy: 0.445569158397883
Energy: 0.45025565004910056
Energy: 0.4873598832369751
Energy: 0.5589795306901227
Energy: 0.5615653085686062
Energy: 0.537526044000729
Energy: 0.5496909275117868
Energy: 0.5631130434646714
Energy: 0.47542197150099935
Energy: 0.45040967066374676
Energy: 0.4499769010976352
Energy: 0.4739663127789603
Energy: 0.4659309917264242
Energy: 0.4502208659751283
Energy: 0.5092908772422489
Energy: 0.5256509959039007
Energy: 0.5037908873114496
Energy: 0.5094299827025162
Energy: 0.5229558006575845
Energy: 0.5014964989765465
Energy: 0.4805389194801991
Energy: 0.4701402353159579
Energy: 0.44655315089765807
Energy: 0.4800028634387042
Energy: 0.48047073462093376
Energy: 0.4562114235083554
Energy: 0.7099620066377875
Energy: 0.4856055336215614
Energy: 0.42926083927677294
Energy: 0.44702180126836455
Energy: 0.4817235329874367
Energy: 0.4305617918202657

minimum gb energy = 0.42921153570576237 eV
minimum distance =  2.6046106487723 Angstroms
sigma value = 33


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

Energy: 0.5874018667651242
Energy: 0.9813399736595759
Energy: 0.665294605975667
Energy: 0.5882455981935957
Energy: 0.9766540901262925
Energy: 0.6730913993459131
Energy: 0.5145504270122131
Energy: 0.4698106018098088
Energy: 0.47280348126964206
Energy: 0.4668856411639717
Energy: 0.5137742090147839
Energy: 0.47253491076484955
Energy: 0.5135430268422484
Energy: 0.4720873250654066
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Energy: 0.4706690485093266
Energy: 0.47016957388185554
Energy: 0.5125259881792529
Energy: 0.47294621324203173
Energy: 0.47016502655736053
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Energy: 0.4634864681159578
Energy: 0.5119792999618563
Energy: 0.4864180277907892
Energy: 0.4638949453332184
Energy: 0.5641511978094935
Energy: 0.5865130800054832
Energy: 0.5775791816571658
Energy: 0.564352163211792
Energy: 0.6006387014128319
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Energy: 0.6021712135711963
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Energy: 0.49342534324189014
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Energy: 0.46711170067971386
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Energy: 0.458204762336292
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Energy: 0.5477996269869335
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Energy: 0.4636120508297275
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Energy: 0.47190759671661153
Energy: 0.8415311596514736
Energy: 0.5848301282968033
Energy: 0.6414934874701754
Energy: 0.6697031935215993
Energy: 0.5912035714825005
Energy: 0.6492804619149551

minimum gb energy = 0.457236550378916 eV
minimum distance =  2.62556444911081 Angstroms
sigma value = 67


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

Energy: 0.6506631246666337
Energy: 0.7214680333794612
Energy: 0.4244296343330011
Energy: 0.6527102261348677
Energy: 0.6968908588708049
Energy: 0.42116663770325435
Energy: 0.549013785221401
Energy: 0.4027227219996931
Energy: 0.40149941763170816
Energy: 0.40055386978213764
Energy: 0.4011595724282056
Energy: 0.40135869339015334
Energy: 0.5303932460995643
Energy: 0.38502204742841023
Energy: 0.40105790934526997
Energy: 0.5294434987179957
Energy: 0.38502317273979697
Energy: 0.40085362960266596
Energy: 0.5016421881003081
Energy: 0.40114545662888457
Energy: 0.4010174664673689
Energy: 0.5019961352169017
Energy: 0.4009883163373582
Energy: 0.40088718791190253
Energy: 0.5017914980637131
Energy: 0.40093914668413805
Energy: 0.4010941756615157
Energy: 0.5017535466533849
Energy: 0.400928970640506
Energy: 0.40100543586837495
Energy: 0.501863561612567
Energy: 0.3996927735867737
Energy: 0.401041695152834
Energy: 0.501840980337554
Energy: 0.5290731892833916
Energy: 0.5021905909113547
Energy: 0.6645148009611254
Energy: 0.4033470969640675
Energy: 0.402158052263469
Energy: 0.5146234541816698
Energy: 0.40112114737458066
Energy: 0.4022017933734385

minimum gb energy = 0.38502204742841023 eV
minimum distance =  2.72980484599713 Angstroms
sigma value = 3


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

Energy: 0.7783431238598435
Energy: 0.7344754799393808
Energy: 0.5591158246925426
Energy: 0.4857334358035373
Energy: 0.8647927165669553
Energy: 0.558318977283472
Energy: 0.46638871071381444
Energy: 0.5459374644812063
Energy: 0.4668907113437356
Energy: 0.5299684714737751
Energy: 0.5077872580063357
Energy: 0.46890596378253563
Energy: 0.59687637858761
Energy: 0.46153812087200774
Energy: 0.4620248977285166
Energy: 0.5973113120970427
Energy: 0.4618081093125584
Energy: 0.46629632394083254
Energy: 0.46982817960501344
Energy: 0.4662527199650752
Energy: 0.46612193394889223
Energy: 0.47019373156585925
Energy: 0.46182138509146864
Energy: 0.4659327433796382
Energy: 0.47263268775072015
Energy: 0.4700052076749254
Energy: 0.4675585054360728
Energy: 0.47309958967183746
Energy: 0.4739188016043827
Energy: 0.46628271126110143
Energy: 0.467571881429063
Energy: 0.5040528958637721
Energy: 0.4678733198472213
Energy: 0.46768103218380597
Energy: 0.47507461222202013
Energy: 0.4677538613189303
Energy: 0.46631888922540454
Energy: 0.5065595071446067
Energy: 0.5096460653980539
Energy: 0.46680844296924584
Energy: 0.5511227362693114
Energy: 0.5050555119405894
Energy: 0.7335012134195533
Energy: 0.5358053474832272
Energy: 0.5251000508423594
Energy: 0.46578613215760245
Energy: 0.5355894028074452
Energy: 0.5387185364921843
Energy: 0.46759781562663316
Energy: 0.5080452273289086
Energy: 0.504145263909507
Energy: 0.46780220683834833
Energy: 0.4700728190933709
Energy: 0.4732106529562467
Energy: 0.6284848519975784
Energy: 0.46863732125237334
Energy: 0.46862204349199527
Energy: 0.6291328453386509
Energy: 0.4689013513636004
Energy: 0.5405549575856236
Energy: 0.5464786614993185
Energy: 0.46214575433953303
Energy: 0.4616661567846222
Energy: 0.5543895611587037
Energy: 0.5561243344083431
Energy: 0.5126224325957045
Energy: 0.5539104111998456
Energy: 0.567163879584589
Energy: 0.46731698641001124
Energy: 0.5061803068087901
Energy: 0.46569049259737977
Energy: 0.46766663854951346
Energy: 0.5917175226643065
Energy: 0.4663284498608193
Energy: 0.46583688539703544
Energy: 0.4663750078047676
Energy: 0.4662001826920885
Energy: 0.466184458961104
Energy: 0.5492780510452858
Energy: 0.46887815209000794
Energy: 0.46613192432890466
Energy: 0.5049997137742608
Energy: 0.4687339923522138
Energy: 0.4661888316388133
Energy: 0.6416234324219432
Energy: 0.46595710142876634
Energy: 0.466481772781214
Energy: 0.4736020637743596
Energy: 0.46587146740637325
Energy: 0.5347747019513897
Energy: 0.5494262468507939
Energy: 0.4698971360584014
Energy: 0.4665031958984841
Energy: 0.5059823210127022
Energy: 0.5294044217312042
Energy: 0.46656926340925187
Energy: 0.6708941893969977
Energy: 0.5054323853371663
Energy: 0.5059603492461267
Energy: 0.7457278739647659
Energy: 0.5058007098741782
Energy: 0.6692612393220658
Energy: 0.508868328520743
Energy: 0.4733297360363874
Energy: 0.46727442623065785
Energy: 0.5086405290335376
Energy: 0.5059951575080152
Energy: 0.5177284422470371
Energy: 0.5400245967133347
Energy: 0.5844135034316968
Energy: 0.46628129283315495
Energy: 0.46857959184348213
Energy: 0.6009150554704977
Energy: 0.4685609058633738
Energy: 0.684514354744461
Energy: 0.46623357073738136
Energy: 0.46635895865886545
Energy: 0.46882241736680647
Energy: 0.5107044047750159
Energy: 0.4688818665963297
Energy: 0.5159750514737805
Energy: 0.4679926158078743
Energy: 0.5084871365143809
Energy: 0.4681098918367328
Energy: 0.46753414143182453
Energy: 0.48317186214959446
Energy: 0.5051666409449481
Energy: 0.5385496917023089
Energy: 0.5456349468331325
Energy: 0.4679715212011789
Energy: 0.46936652856246003
Energy: 0.5067179285572969
Energy: 0.5089964264422498
Energy: 0.5540273782509987
Energy: 0.46756135771898355
Energy: 0.5098086794972111
Energy: 0.5075425727435565
Energy: 0.46866048796978194
Energy: 0.5062900533788883
Energy: 0.46579406335723356
Energy: 0.5015658957653123
Energy: 0.5062726182041569
Energy: 0.46579355054098437
Energy: 0.5066446011398783
Energy: 0.4701708026309959
Energy: 0.46633611274265474
Energy: 0.46675441924877764
Energy: 0.4709424551613458
Energy: 0.507252910892865
Energy: 0.4663492567251239
Energy: 0.7844000236035616
Energy: 0.6117820057682822
Energy: 0.606589625054113
Energy: 0.461614065480114
Energy: 0.6568555954994503
Energy: 0.4615056066911161
Energy: 0.4703773932078497
Energy: 0.5789153291165727
Energy: 0.5523669682421967
Energy: 0.46165548432050124
Energy: 0.5374575853479846
Energy: 0.46122950057821976
Energy: 0.47206210925837777
Energy: 0.4667872920530871
Energy: 0.46634412190338426
Energy: 0.4711845681460217
Energy: 0.5104623149811685
Energy: 0.46630697856126785
Energy: 0.46617885094160516
Energy: 0.4618897846993867
Energy: 0.46186883957505853
Energy: 0.46613015301537
Energy: 0.4619850906316526
Energy: 0.4663551885123208
Energy: 0.4667304220568374
Energy: 0.46854832201710295
Energy: 0.46646285982349533
Energy: 0.4675562305151717
Energy: 0.5123161603519162
Energy: 0.4658855469291491
Energy: 0.46573291641447395
Energy: 0.5297345606036672
Energy: 0.4673148838409478
Energy: 0.4658887652073643
Energy: 0.504807245839912
Energy: 0.4662078742391714
Energy: 0.4707284411271267
Energy: 0.4734504195947046
Energy: 0.47283383052565225
Energy: 0.4714539010818531
Energy: 0.507353340831346
Energy: 0.5101415517406027
Energy: 0.7347942745827512
Energy: 0.5357021108104554
Energy: 0.5360359098793822
Energy: 0.46597533315966116
Energy: 0.5796036654870124
Energy: 0.5057286320413323
Energy: 0.5058358664096174
Energy: 0.5464086173697019
Energy: 0.5119472759872966
Energy: 0.5054621901072575
Energy: 0.5333481960365635
Energy: 0.5113301749418115
Energy: 0.46550592244973754
Energy: 0.4618488531210975
Energy: 0.46199139443137816
Energy: 0.46561218079085664
Energy: 0.5564561755284868
Energy: 0.5126194906844285
Energy: 0.5846650043218319
Energy: 0.4686871605379132
Energy: 0.46866061910712725
Energy: 0.5262592452526548
Energy: 0.4688555029744807
Energy: 0.540351812986983
Energy: 0.5491140434251138
Energy: 0.5082828522377013
Energy: 0.5038935428509003
Energy: 0.5498634072906516
Energy: 0.4706725890026328
Energy: 0.4727415540409838
Energy: 0.5426061607629966
Energy: 0.46612670458090044
Energy: 0.4661421768767688
Energy: 0.46685822487262785
Energy: 0.4659547811456567
Energy: 0.46726415032599133
Energy: 0.550975692532041
Energy: 0.4692027624280223
Energy: 0.4659140572869506
Energy: 0.5058840917721003
Energy: 0.4693848613340385
Energy: 0.46580439298466353
Energy: 0.6400431949317047
Energy: 0.46614482761671305
Energy: 0.46639374259774946
Energy: 0.47420041317234046
Energy: 0.46618554407977963
Energy: 0.46645495537704607
Energy: 0.550491263256064
Energy: 0.576718408122946
Energy: 0.46626924216463517
Energy: 0.5051665318601685
Energy: 0.5463334947343905
Energy: 0.46650795430399106
Energy: 0.5489747153724597
Energy: 0.4737836754337173
Energy: 0.5111479904256426
Energy: 0.5486417446990847
Energy: 0.46649929757406716
Energy: 0.5169588515176163
Energy: 0.5396614160077666
Energy: 0.5052863587472352
Energy: 0.5055358151229215
Energy: 0.5395341073102736
Energy: 0.5055456212129957
Energy: 0.5095336772264766
Energy: 0.5100176700269041
Energy: 0.4697383242377842
Energy: 0.4664222451599707
Energy: 0.4669437122506401
Energy: 0.47023097560434013
Energy: 0.46667875690003263
Energy: 0.6882935703511055
Energy: 0.5051816578600703
Energy: 0.5039745053347686
Energy: 0.48412130672019427
Energy: 0.5046450965943386
Energy: 0.5040678221741824
Energy: 0.5101284529367512
Energy: 0.4693907365377715
Energy: 0.46664237635164013
Energy: 0.46696419192186883
Energy: 0.5107643541509476
Energy: 0.46678632541136783
Energy: 0.5088048805847697
Energy: 0.5069183223967373
Energy: 0.4807651928450733
Energy: 0.4678296509657964
Energy: 0.4671043600646577
Energy: 0.47993962148455493
Energy: 0.5144477963467902
Energy: 0.5550343438375095
Energy: 0.4821881643860513
Energy: 0.4674119313409382
Energy: 0.4686113724898208
Energy: 0.46726635290015783
Energy: 0.5086133185516075
Energy: 0.46609663307951477
Energy: 0.46648254249279614
Energy: 0.5088890593248311
Energy: 0.4664642760837842
Energy: 0.46643640794625274
Energy: 0.5944677914247872
Energy: 0.4664083847919091
Energy: 0.4660885567268437
Energy: 0.5952979456704753
Energy: 0.4664267922095604
Energy: 0.46675249514779643
Energy: 0.4618402464613717
Energy: 0.546707068700985
Energy: 0.5185206454583049
Energy: 0.5117573699828664
Energy: 0.4685369372232112
Energy: 0.4673870429346762

minimum gb energy = 0.46122950057821976 eV
minimum distance =  2.68387918757844 Angstroms
sigma value = 81


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

Energy: 0.8497077616183595
Energy: 0.5771177709069883
Energy: 0.540950837844098
Energy: 0.5211961469845939
Energy: 0.5379062975015766
Energy: 0.5630062837723017
Energy: 0.523307201728533
Energy: 0.5064665304361269
Energy: 0.513990986704779
Energy: 0.5145254040508904
Energy: 0.5056658201334234
Energy: 0.5425254277473258
Energy: 0.5239427955822961
Energy: 0.5185034376683297
Energy: 0.49748607911189585
Energy: 0.49232521009253016
Energy: 0.49115303210509975
Energy: 0.5387310510233758
Energy: 0.5192767869493585
Energy: 0.5192285653266446
Energy: 0.5190368285053218
Energy: 0.5183336267521579
Energy: 0.48974051524216977
Energy: 0.48921827194156736
Energy: 0.519349902611072
Energy: 0.5358385522456608
Energy: 0.5332106272690738
Energy: 0.5186482481475687
Energy: 0.5369282139379292
Energy: 0.5364849193526657
Energy: 0.626595162779002
Energy: 0.530946638405192
Energy: 0.5309099522631872
Energy: 0.6196503207443279
Energy: 0.5301072294111792
Energy: 0.531264075574168
Energy: 0.5424178883263583
Energy: 0.5257241661388344
Energy: 0.5213883196566383
Energy: 0.5197018635593916
Energy: 0.5274742564334818
Energy: 0.5302369737263991
Energy: 0.7153059679613553
Energy: 0.8133912373984141
Energy: 0.5689682419637525
Energy: 0.5043942513114166
Energy: 0.8173287186569461
Energy: 0.5042552133960209
Energy: 0.5407987196946639
Energy: 0.5223738459722772
Energy: 0.5189242656440399
Energy: 0.5245561509846882
Energy: 0.5395390791850684
Energy: 0.5043567434348684
Energy: 0.5624844241810227
Energy: 0.4827216553991578
Energy: 0.48263389325815775
Energy: 0.5470985281115169
Energy: 0.4827363612232306
Energy: 0.48292072528017377
Energy: 0.5422852858368796
Energy: 0.4825419037721201
Energy: 0.482520483430744
Energy: 0.5434608554387965
Energy: 0.5203580949555022
Energy: 0.5187088097057236
Energy: 0.5207681643490497
Energy: 0.5133979816575849
Energy: 0.5118908803510219
Energy: 0.4903353687246914
Energy: 0.5123370694056428
Energy: 0.5115564944191746
Energy: 0.5210454730176522
Energy: 0.4949351967998635
Energy: 0.495372945912983
Energy: 0.49057534042833456
Energy: 0.509631851687127
Energy: 0.4985618607395602
Energy: 0.5538443754194146
Energy: 0.4966450762747136
Energy: 0.529808272926647
Energy: 0.5461356733853916
Energy: 0.5115123457809945
Energy: 0.5327023022511718
Energy: 0.702549360043716
Energy: 0.5657298987097884
Energy: 0.5566951420800099
Energy: 0.5220058349158063
Energy: 0.5289486429678703
Energy: 0.5205531734902922
Energy: 0.5360527119987466
Energy: 0.5224888211958618
Energy: 0.5213599597276026
Energy: 0.5223755109217708
Energy: 0.6295917250170997
Energy: 0.5206792906321195
Energy: 0.7749238755050514
Energy: 0.5136332782168166
Energy: 0.5045264774053604
Energy: 0.7641239770882291
Energy: 0.5252544852121426
Energy: 0.5048979938450574
Energy: 0.4890366291223124
Energy: 0.5085785226357553
Energy: 0.5090534637757369
Energy: 0.48927658345876746
Energy: 0.5257344484563887
Energy: 0.5102728263894003
Energy: 0.46134555059702115
Energy: 0.6304447178856226
Energy: 0.46077029602326947
Energy: 0.4609492818091924
Energy: 0.634602653340675
Energy: 0.46076402984009274
Energy: 0.4615440376190761
Energy: 0.5420112750649594
Energy: 0.46061727223873594
Energy: 0.4608470793921717
Energy: 0.5426238848553893
Energy: 0.4606211394166448
Energy: 0.48872096288734623
Energy: 0.5084151972461647
Energy: 0.5087368295009737
Energy: 0.4889587996085381
Energy: 0.5298393281895636
Energy: 0.5110163716378555
Energy: 0.5313427501830678
Energy: 0.5186200513207349
Energy: 0.5381687868928801
Energy: 0.5315855755026497
Energy: 0.5160116442350753
Energy: 0.5370871351825008
Energy: 0.5334945694983653
Energy: 0.5227402539092979
Energy: 0.522876021798861
Energy: 0.5196011039873873
Energy: 0.5238543978378247
Energy: 0.5243147687389725
Energy: 0.5324675274356613
Energy: 0.542145211614507
Energy: 0.5417586668072182
Energy: 0.5234437648217108
Energy: 0.542985456506455
Energy: 0.523071816627192
Energy: 0.6429388864056857
Energy: 0.5101777630751774
Energy: 0.5321737688496447
Energy: 0.6355911323663814
Energy: 0.49767306655428
Energy: 0.5324180984324312
Energy: 0.7166213173257628
Energy: 0.4978634331502604
Energy: 0.510206153943125
Energy: 0.506685667561293
Energy: 0.4972454234321222
Energy: 0.5102995361515431
Energy: 0.5272894829322519
Energy: 0.5344954499500677
Energy: 0.5120041531489873
Energy: 0.5066397788175458
Energy: 0.5140557672531347
Energy: 0.5118017224901462
Energy: 0.6314922899327002
Energy: 0.48240372354830435
Energy: 0.5034516047540916
Energy: 0.6316778586451856
Energy: 0.4922525912801968
Energy: 0.5184869912539251
Energy: 0.5442561228560684
Energy: 0.4827750284263749
Energy: 0.48277576080372453
Energy: 0.5235694889942679
Energy: 0.48281109004539835
Energy: 0.5298250211386298
Energy: 0.5416839975273422
Energy: 0.5231285689004757
Energy: 0.5191871575287612
Energy: 0.5249194176556912
Energy: 0.5309170748653974
Energy: 0.5035429674137752
Energy: 0.5223244849002364
Energy: 0.557048080567009
Energy: 0.5220160843393937
Energy: 0.48957819962546933
Energy: 0.5645365257166941
Energy: 0.510236926546988
Energy: 0.5401862736234713
Energy: 0.5231503376325005
Energy: 0.5051136440762933
Energy: 0.519484104669483
Energy: 0.5052568411681299
Energy: 0.5055676747232157
Energy: 0.7039144000541859
Energy: 0.5361875863156933
Energy: 0.535254650194963
Energy: 0.5398779749582748
Energy: 0.5314921365365797
Energy: 0.5356991553422956
Energy: 0.5225090261204887
Energy: 0.6285157228751915
Energy: 0.538608556149119
Energy: 0.5215289072770645
Energy: 0.6193754310091668
Energy: 0.5394445714799653
Energy: 0.5221113358821339
Energy: 0.5143243381868344
Energy: 0.5325606138452612
Energy: 0.5204811316557604
Energy: 0.5128559284987313
Energy: 0.5040203868253285
Energy: 0.5607356748757154
Energy: 0.5132957670097802
Energy: 0.5124062769648845
Energy: 0.49008868197048655
Energy: 0.5061756905637654
Energy: 0.5485343347468941
Energy: 0.524031694793386
Energy: 0.5068162177371146
Energy: 0.5178259889651212
Energy: 0.5049603661053783
Energy: 0.5960776076969952
Energy: 0.5438046564880235
Energy: 0.8500910846910075
Energy: 0.5621567518826951
Energy: 0.5213197839984116
Energy: 0.5010272721512798
Energy: 0.5606042538568669
Energy: 0.5319858659539963

minimum gb energy = 0.46061727223873594 eV
minimum distance =  2.56778359372434 Angstroms
sigma value = 43


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

Energy: 0.808092251050326
Energy: 0.7103933523337791
Energy: 0.5980365199740716
Energy: 0.5203657256792213
Energy: 0.8882968934754807
Energy: 0.5202261673470965
Energy: 0.49177726680131173
Energy: 0.5137586708484648
Energy: 0.5557027550418865
Energy: 0.5491688711492244
Energy: 0.504016158529905
Energy: 0.5019772964013854
Energy: 0.6351061462503883
Energy: 0.47739429096952973
Energy: 0.4764334341177271
Energy: 0.5732235529298193
Energy: 0.47606628037656096
Energy: 0.5176815765787882
Energy: 0.49115221545875126
Energy: 0.4772378113283532
Energy: 0.4907257544827307
Energy: 0.4910950377372795
Energy: 0.4758186973284508
Energy: 0.4906016161004346
Energy: 0.4904663974198289
Energy: 0.5018510197668806
Energy: 0.502011618951645
Energy: 0.4904755402488216
Energy: 0.5016477003162453
Energy: 0.5016744858695061
Energy: 0.4908992552735276
Energy: 0.5013961904349924
Energy: 0.5018101428983981
Energy: 0.5017412919379204
Energy: 0.4907229140435091
Energy: 0.5028191780269838
Energy: 0.5164446426823776
Energy: 0.4905164095305586
Energy: 0.4905129541036263
Energy: 0.5167950323353785
Energy: 0.4915529562929021
Energy: 0.49035034440050385
Energy: 0.686819107153363
Energy: 0.49107619639576827
Energy: 0.49115423990445817
Energy: 0.5223264095631398
Energy: 0.49095032698798585
Energy: 0.6014934129803815
Energy: 0.5168930639202224
Energy: 0.4906291502178537
Energy: 0.4905852592165087
Energy: 0.5172069895928828
Energy: 0.5765360626295417
Energy: 0.4905492672895073
Energy: 0.5580351181325538
Energy: 0.5598974129582462
Energy: 0.5864740789226072
Energy: 0.5867286718620586
Energy: 0.5610389443431413
Energy: 0.5915840327631194
Energy: 0.47534167542389755
Energy: 0.5288707784826204
Energy: 0.5222034250426637
Energy: 0.47535965980388933
Energy: 0.5501880493421925
Energy: 0.5396057797457318
Energy: 0.5521335543516439
Energy: 0.5884503308856932
Energy: 0.5181302931658727
Energy: 0.4766746156949373
Energy: 0.6371612133694772
Energy: 0.49083896142346106
Energy: 0.7255477152957764
Energy: 0.49079845900994584
Energy: 0.5289583878689593
Energy: 0.4759147802827151
Energy: 0.5182537797807085
Energy: 0.5036205647363808
Energy: 0.47564956725936797
Energy: 0.5065722235630471
Energy: 0.5451762015884143
Energy: 0.47540838016431414
Energy: 0.5066255429149749
Energy: 0.5461263812431727
Energy: 0.47573191761710065
Energy: 0.5447613423970511
Energy: 0.477922795615425
Energy: 0.47614198489507464
Energy: 0.5251907761001829
Energy: 0.47684737165854285
Energy: 0.4758088280887228
Energy: 0.47653813622228586
Energy: 0.47577319184982625
Energy: 0.47613055672240584
Energy: 0.5156644835871431
Energy: 0.4755905144781822
Energy: 0.4764937647970559
Energy: 0.47690026166196425
Energy: 0.47650383330617674
Energy: 0.47652324380495936
Energy: 0.5444463873708921
Energy: 0.4764295015626411
Energy: 0.4762038037762918
Energy: 0.5215456234753574
Energy: 0.5218869700794722
Energy: 0.4761464099237239
Energy: 0.5313247624033465
Energy: 0.47545840486734003
Energy: 0.5159008469038632
Energy: 0.5172375099086497
Energy: 0.5262547786955799
Energy: 0.5049888077938091
Energy: 0.5200765861320656
Energy: 0.49075490576551284
Energy: 0.515327119504168
Energy: 0.6003851661707799
Energy: 0.5142010861391481
Energy: 0.4904334933485353
Energy: 0.5526872252642483
Energy: 0.4909814980356565
Energy: 0.47613565501060634
Energy: 0.5380716220978027
Energy: 0.49444088348671716
Energy: 0.4764690263419117
Energy: 0.5395551556761038
Energy: 0.5226978908533388
Energy: 0.630987319058357
Energy: 0.5039194556949197
Energy: 0.556213053846098
Energy: 0.6306924183901959
Energy: 0.47591654133689587
Energy: 0.5674098200915653
Energy: 0.5495941029918542
Energy: 0.522519000860108
Energy: 0.5212415083302876
Energy: 0.5309919914224343
Energy: 0.5171278858406978
Energy: 0.5226906929496813
Energy: 0.534686132035644
Energy: 0.6080693593468446
Energy: 0.5634739756497471
Energy: 0.4757257165424796
Energy: 0.4761207404435483
Energy: 0.47582217433963814
Energy: 0.5494382464186565
Energy: 0.4760420612622366
Energy: 0.47569047640195367
Energy: 0.5497720183920415
Energy: 0.476526563912234
Energy: 0.4765485198151779
Energy: 0.5200202116765386
Energy: 0.47603451005172
Energy: 0.47566952304258564
Energy: 0.5454746976207475
Energy: 0.47557129301665624
Energy: 0.4771625399457017
Energy: 0.5199007683591473
Energy: 0.5597099427897616
Energy: 0.5315438561898572
Energy: 0.49118309714235303
Energy: 0.47541226783785917
Energy: 0.5446155225147059
Energy: 0.5202166656088706
Energy: 0.5449374138095754
Energy: 0.4908588938099082
Energy: 0.5178943261673276
Energy: 0.5142717255195911
Energy: 0.4908087831220835
Energy: 0.6700439385382464
Energy: 0.4906498924819595
Energy: 0.5176094557343307
Energy: 0.6271098953456501
Energy: 0.5209555005445358
Energy: 0.5650023461825414
Energy: 0.4911766433169166
Energy: 0.5138858016853274
Energy: 0.5454112300765439
Energy: 0.49073641624257686
Energy: 0.4755458997074255
Energy: 0.49029790180016747
Energy: 0.8107986441247237
Energy: 0.6775709887444088
Energy: 0.6568494752488812
Energy: 0.503728479219172
Energy: 0.6806265075486908
Energy: 0.6435194936973465

minimum gb energy = 0.47534167542389755 eV
minimum distance =  2.63131490853756 Angstroms
sigma value = 57


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

Energy: 0.57412087351179
Energy: 0.8734207189969457
Energy: 0.5448824443542971
Energy: 0.5746222778584188
Energy: 0.8661497497156486
Energy: 0.5445668075488215
Energy: 0.4909964566661195
Energy: 0.49288125554085044
Energy: 0.4929424239046732
Energy: 0.4929606610431273
Energy: 0.4931190495540509
Energy: 0.49000844448737735
Energy: 0.6110586376993993
Energy: 0.45047787601193956
Energy: 0.4503436165563746
Energy: 0.6121185465768526
Energy: 0.5046777040501318
Energy: 0.45025756287640717
Energy: 0.4903097796026768
Energy: 0.4504745624131529
Energy: 0.4504408641564188
Energy: 0.4897192172424835
Energy: 0.5053787364055667
Energy: 0.4893997073091955
Energy: 0.489170214729045
Energy: 0.46607775588456857
Energy: 0.4667147723008104
Energy: 0.48923076550767236
Energy: 0.46627139454676597
Energy: 0.46680650873462315
Energy: 0.4504210480558887
Energy: 0.46793877707647097
Energy: 0.46585319750070614
Energy: 0.4659655075126008
Energy: 0.49021788524889237
Energy: 0.46576056802719945
Energy: 0.4928930240377111
Energy: 0.49002814381109777
Energy: 0.4891010953005427
Energy: 0.49332991582806435
Energy: 0.49120429520391806
Energy: 0.4892141356262359
Energy: 0.4888227105908547
Energy: 0.5646260650720958
Energy: 0.5639735819353434
Energy: 0.4889607388032294
Energy: 0.565564478573153
Energy: 0.48976212914983036
Energy: 0.49273589436915105
Energy: 0.4907277787720698
Energy: 0.4895550147915317
Energy: 0.4933047301538036
Energy: 0.5582551809226152
Energy: 0.48971186877403033
Energy: 0.4931547914203478
Energy: 0.48923492014129744
Energy: 0.4890809361632631
Energy: 0.49292760376981737
Energy: 0.4892431779014649
Energy: 0.5493035435350488
Energy: 0.5583271571368608
Energy: 0.5438235042541254
Energy: 0.4919546851150499
Energy: 0.5575785346693886
Energy: 0.49318733227768546
Energy: 0.4897419616625119
Energy: 0.4504998438068463
Energy: 0.5571307388721403
Energy: 0.4928395710816815
Energy: 0.4513680065431654
Energy: 0.55754593128808
Energy: 0.528027889080873
Energy: 0.45249635051351894
Energy: 0.4914507843191652
Energy: 0.5882209755922023
Energy: 0.5283097282432234
Energy: 0.49274402098653164
Energy: 0.528365198354145
Energy: 0.5575158257283382
Energy: 0.4933438285958116
Energy: 0.4930513319505739
Energy: 0.5580275077881443
Energy: 0.493649296658372
Energy: 0.48970265740253727
Energy: 0.4958590341384457
Energy: 0.477567493184547
Energy: 0.4772084584842058
Energy: 0.49581308183380435
Energy: 0.5052803012890877
Energy: 0.4772386909093681
Energy: 0.4891971589412294
Energy: 0.466937651276228
Energy: 0.46779786417235625
Energy: 0.48992116604277
Energy: 0.49354722945113966
Energy: 0.4891134373130213
Energy: 0.4901651555934766
Energy: 0.4656543875482127
Energy: 0.465791808838873
Energy: 0.4896125431155509
Energy: 0.46591018663624395
Energy: 0.4660264195997941
Energy: 0.4900613741055519
Energy: 0.48986850486469397
Energy: 0.4675644158686799
Energy: 0.4671754474569387
Energy: 0.4893386138717477
Energy: 0.4681855265568718
Energy: 0.49272741919164353
Energy: 0.48935250604297553
Energy: 0.48986251447711876
Energy: 0.521690316645139
Energy: 0.48933601044631797
Energy: 0.4902728706763387
Energy: 0.4928648999422714
Energy: 0.5505830833310378
Energy: 0.48969402715607757
Energy: 0.493438205065496
Energy: 0.5569225891340293
Energy: 0.49000073000599803
Energy: 0.49300604568914086
Energy: 0.4942043031991597
Energy: 0.4928565932596959
Energy: 0.49312585476513054
Energy: 0.493544063264443
Energy: 0.4896706191905074
Energy: 0.7091584734619488
Energy: 0.5166024687837754
Energy: 0.516559687223503
Energy: 0.7046484791044475
Energy: 0.5447200520710597
Energy: 0.5165386995313996
Energy: 0.5571628081339682
Energy: 0.49355282703737025
Energy: 0.49271794241038075
Energy: 0.5576623105692576
Energy: 0.49361364856078893
Energy: 0.48997567215087334
Energy: 0.45240988537511834
Energy: 0.5513742680031726
Energy: 0.588710800769792
Energy: 0.5283496064897191
Energy: 0.5573202342537787
Energy: 0.5283061843189536

minimum gb energy = 0.45025756287640717 eV
minimum distance =  2.64925326412537 Angstroms
sigma value = 17


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

Energy: 0.6641224704488629
Energy: 0.6703016876130463
Energy: 0.5652484789858486
Energy: 0.47781007889941657
Energy: 0.6812607986625678
Energy: 0.4777469245193044
Energy: 0.5497357278451104
Energy: 0.49791027127394166
Energy: 0.4977913383101802
Energy: 0.5375700360566248
Energy: 0.49922817366713973
Energy: 0.4976747595361376
Energy: 0.594986174412099
Energy: 0.4541771748328186
Energy: 0.4543295757457929
Energy: 0.5957857693256784
Energy: 0.4544531307089566
Energy: 0.4545212693856267
Energy: 0.5003030429059518
Energy: 0.4541724341409135
Energy: 0.4545615867247461
Energy: 0.49806339765889157
Energy: 0.45451825892993186
Energy: 0.4975324897333465
Energy: 0.49793736094761487
Energy: 0.5005972591027309
Energy: 0.5010580978363928
Energy: 0.497843026500212
Energy: 0.5003217096347001
Energy: 0.5013726102338211
Energy: 0.5942893007179032
Energy: 0.4452983077904655
Energy: 0.44562392773814347
Energy: 0.43540137553171804
Energy: 0.4449977548903206
Energy: 0.4365525226850037
Energy: 0.4524558053037819
Energy: 0.4461904814539465
Energy: 0.4450086763224102
Energy: 0.490223091378877
Energy: 0.4474422279846955
Energy: 0.4951195580763362
Energy: 0.4457276060046982
Energy: 0.5332263688401049
Energy: 0.531152034708236
Energy: 0.5328708906721509
Energy: 0.5545189824344601
Energy: 0.5312397979015784
Energy: 0.4468509067219284
Energy: 0.5332917399384804
Energy: 0.5353784779148004
Energy: 0.44755873319243
Energy: 0.4467457011427112
Energy: 0.4455512011658416
Energy: 0.44483508569385705
Energy: 0.44542782193662617
Energy: 0.44514181383930984
Energy: 0.4448680093763556
Energy: 0.445493826972147
Energy: 0.4458636382610339
Energy: 0.5662049982468585
Energy: 0.47222309860964135
Energy: 0.499815242766639
Energy: 0.5580844992909233
Energy: 0.49797851480394645
Energy: 0.5014131268198196
Energy: 0.4969578539447301
Energy: 0.49819084909318967
Energy: 0.4974314369026277
Energy: 0.49739589030550335
Energy: 0.49802236537058114
Energy: 0.49743434496560934
Energy: 0.4973412732042678
Energy: 0.5393299389962573
Energy: 0.5395272449046267
Energy: 0.4716364927220759
Energy: 0.5972529526299544
Energy: 0.49795137351906793
Energy: 0.5569964829300807
Energy: 0.49827569691974566
Energy: 0.4982941673082003
Energy: 0.556391385232969
Energy: 0.49819478919906485
Energy: 0.4978690045667873
Energy: 0.6652851756812905
Energy: 0.4975482804580175
Energy: 0.4971295196898386
Energy: 0.666521154943282
Energy: 0.49737064811107917
Energy: 0.5387505778312921
Energy: 0.5965518869127512
Energy: 0.5044808528804063
Energy: 0.4978173245102955
Energy: 0.5956921540886334
Energy: 0.504390404059717
Energy: 0.4976672665420441
Energy: 0.5401284476566582
Energy: 0.5407869056761203
Energy: 0.5401860576355022
Energy: 0.5143441088305584
Energy: 0.5968730215422549
Energy: 0.5402449937276642

minimum gb energy = 0.43540137553171804 eV
minimum distance =  2.60764646050412 Angstroms
sigma value = 17


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

Energy: 0.6791885974797696
Energy: 0.6271244808617858
Energy: 0.46945041579172664
Energy: 0.46661561751103736
Energy: 0.6681826570366561
Energy: 0.46693484806257385
Energy: 0.5647176872758491
Energy: 0.48828502698224135
Energy: 0.48839716440206654
Energy: 0.4880965878175292
Energy: 0.4897100681636486
Energy: 0.48850890936938224
Energy: 0.5664480833870725
Energy: 0.418083382459469
Energy: 0.4493275789660395
Energy: 0.5672059145582548
Energy: 0.4178070329091602
Energy: 0.4491496267020385
Energy: 0.4893443782769855
Energy: 0.44931243619238437
Energy: 0.4493681921290951
Energy: 0.4898748657585342
Energy: 0.41861204487356324
Energy: 0.4492778432437798
Energy: 0.4875862061415975
Energy: 0.4842611871268201
Energy: 0.48618595239270057
Energy: 0.48761453475809785
Energy: 0.5306740162498524
Energy: 0.4855125199601047
Energy: 0.6118199200543931
Energy: 0.43498036450084204
Energy: 0.4185599356316721
Energy: 0.4183155118916412
Energy: 0.43512001781990334
Energy: 0.41786884587554846
Energy: 0.4907223053720876
Energy: 0.4346773486856053
Energy: 0.4345509801200386
Energy: 0.4842907318527622
Energy: 0.4361435452473044
Energy: 0.47498260583122315
Energy: 0.5350587913529293
Energy: 0.4913670405710754
Energy: 0.45812170895470494
Energy: 0.5356078329282802
Energy: 0.49179442999706857
Energy: 0.4578930797598389
Energy: 0.4156523457230403
Energy: 0.4969990280153511
Energy: 0.45915421611731555
Energy: 0.4146952878093211
Energy: 0.414479197954054
Energy: 0.41402168290782776
Energy: 0.4142659810645423
Energy: 0.4946321054947512
Energy: 0.4958429653121632
Energy: 0.41421540198450335
Energy: 0.49536595603402994
Energy: 0.4952591178663472
Energy: 0.5520110395875563
Energy: 0.4140902899992158
Energy: 0.49484342858398217
Energy: 0.49584932079141447
Energy: 0.4142578456029098
Energy: 0.4945012627979119
Energy: 0.4156068438100842
Energy: 0.41401195508518535
Energy: 0.4141187193700247
Energy: 0.4163486398799696
Energy: 0.416365992000368
Energy: 0.4588813620504168
Energy: 0.4338022428114001
Energy: 0.46429389600819204
Energy: 0.4596935477255302
Energy: 0.45739020004205666
Energy: 0.517118247747557
Energy: 0.45906884657320973
Energy: 0.43515646283962517
Energy: 0.5103757443596832
Energy: 0.510099068415564
Energy: 0.4357592260086032
Energy: 0.48430885418621505
Energy: 0.4346576405962485
Energy: 0.43476867873797204
Energy: 0.5059636274964653
Energy: 0.4697092304378693
Energy: 0.43473776564719435
Energy: 0.4571092488245736
Energy: 0.4350369657178026
Energy: 0.5375613687781344
Energy: 0.48782258455926114
Energy: 0.4853397706427053
Energy: 0.5306621576141496
Energy: 0.48784899747231253
Energy: 0.4857184178338011
Energy: 0.41443113358451894
Energy: 0.4880731205476058
Energy: 0.48816648266643614
Energy: 0.4357378931836961
Energy: 0.48786284325519846
Energy: 0.434176474132766
Energy: 0.4442542921080309
Energy: 0.5195542656029032
Energy: 0.4879360775491503
Energy: 0.4417307426174049
Energy: 0.5658994766756786
Energy: 0.43484206657127505
Energy: 0.5346143055808881
Energy: 0.48824508505634734
Energy: 0.48408662506850064
Energy: 0.53585911382099
Energy: 0.43591032826059384
Energy: 0.48807111542554904
Energy: 0.6466153191447487
Energy: 0.48649147438508356
Energy: 0.48641295395481643
Energy: 0.6455823267901513
Energy: 0.43496332043594005
Energy: 0.4905428299402056
Energy: 0.568580430850468
Energy: 0.48814159433656557
Energy: 0.48802465222828556
Energy: 0.5652527215054305
Energy: 0.4879276004874933
Energy: 0.4878133082697832
Energy: 0.4824862512111334
Energy: 0.5220028567651024
Energy: 0.5563024546101013
Energy: 0.4491847195258342
Energy: 0.5667567854861778
Energy: 0.4492165771911555
Energy: 0.47962724595764183
Energy: 0.488332660647416
Energy: 0.48833296996628217
Energy: 0.48017814401468123
Energy: 0.5351865931122852
Energy: 0.5247172009535478
Energy: 0.56588381889648
Energy: 0.4500779938549103
Energy: 0.48807262654429834
Energy: 0.5666013846025073
Energy: 0.479130700387
Energy: 0.48804543355872887
Energy: 0.4877883452450062
Energy: 0.4178578282050001
Energy: 0.449169651639306
Energy: 0.488017513255127
Energy: 0.4182365328487315
Energy: 0.44936857762754034
Energy: 0.4892802492010692
Energy: 0.48634090122370677
Energy: 0.4855418176221434
Energy: 0.48996532117403474
Energy: 0.48542413340564744
Energy: 0.48770709486850217
Energy: 0.4488485271597154
Energy: 0.5303865557494306
Energy: 0.4356489802009837
Energy: 0.41813091944769865
Energy: 0.5385264337195133
Energy: 0.417986602763931
Energy: 0.4367460927047616
Energy: 0.4361193874749289
Energy: 0.43474290263110404
Energy: 0.43704084616192124
Energy: 0.43651819210825754
Energy: 0.4347482955830004
Energy: 0.5359914549530633
Energy: 0.506251718793975
Energy: 0.5082768104105744
Energy: 0.5178562072360168
Energy: 0.4346110704018018
Energy: 0.5074660040182856
Energy: 0.41398367038851913
Energy: 0.49117323449864925
Energy: 0.4587952591896243
Energy: 0.4140050694087176
Energy: 0.4917294886284131
Energy: 0.45852540227661337
Energy: 0.4166769621257363
Energy: 0.49624050154755983
Energy: 0.4946117323283145
Energy: 0.4172648125418143
Energy: 0.49573607290664945
Energy: 0.45812870006097867
Energy: 0.5527924285875263
Energy: 0.49604516258523684
Energy: 0.4941661873358691
Energy: 0.521431232587083
Energy: 0.4986850898743788
Energy: 0.49290658332183096
Energy: 0.43389365828045995
Energy: 0.41546400736000594
Energy: 0.41382094205740483
Energy: 0.4341606238805825
Energy: 0.4156230478933506
Energy: 0.4141345776771824
Energy: 0.5906194467203385
Energy: 0.45722614618437996
Energy: 0.4574889140896772
Energy: 0.4592581752535164
Energy: 0.4135744519171778
Energy: 0.4570408481952043
Energy: 0.4385904374378749
Energy: 0.5070086351875939
Energy: 0.5068473026470254
Energy: 0.43484380382006177
Energy: 0.5078217693418904
Energy: 0.5064923883318532
Energy: 0.4347227405831003
Energy: 0.4564824536436554
Energy: 0.4341941486803365
Energy: 0.43471501463104734
Energy: 0.4570982624323748
Energy: 0.43451357750689684
Energy: 0.5364207378287569
Energy: 0.4856642777266401
Energy: 0.43545500901002243
Energy: 0.5370056075120703
Energy: 0.48763543856633285
Energy: 0.4351278100430799
Energy: 0.47353790381411126
Energy: 0.48897451517457347
Energy: 0.48822031297735047
Energy: 0.4651718453306691
Energy: 0.48911267012326076
Energy: 0.48833764440173355
Energy: 0.6460211618765176
Energy: 0.5650050833835224
Energy: 0.4341247239987749
Energy: 0.434555275182558
Energy: 0.5650588898418983
Energy: 0.4355048929968219
Energy: 0.5344117466745611
Energy: 0.4884186695603699
Energy: 0.4882233290803102
Energy: 0.5339817681818221
Energy: 0.5218603227187598
Energy: 0.4634898637079102
Energy: 0.536109742502416
Energy: 0.4341663588617477
Energy: 0.49175890396568045
Energy: 0.5344283746914368
Energy: 0.4339930323399715
Energy: 0.5190071135944397
Energy: 0.5652985983228185
Energy: 0.4669393921045652
Energy: 0.48765432463005076
Energy: 0.565957036262433
Energy: 0.51993037202486
Energy: 0.488291075759415
Energy: 0.4793868964247568
Energy: 0.5197603714894783
Energy: 0.488230999092568
Energy: 0.4798609034398952
Energy: 0.5207561741274875
Energy: 0.5244207334683223

minimum gb energy = 0.4135744519171778 eV
minimum distance =  2.59802156807925 Angstroms
sigma value = 57


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

Energy: 0.6202233768376045
Energy: 0.6344138230924615
Energy: 0.45651505652307545
Energy: 0.42217872719241084
Energy: 0.6345791399997155
Energy: 0.45565751307589586
Energy: 0.5359729489605515
Energy: 0.4753656654079357
Energy: 0.47685371574059393
Energy: 0.4776863177075125
Energy: 0.4734824837221614
Energy: 0.4720571729698369
Energy: 0.5366235186109852
Energy: 0.4065613399909973
Energy: 0.4069818693151912
Energy: 0.5374524046676293
Energy: 0.407006927554926
Energy: 0.4385103252033361
Energy: 0.4747291363552161
Energy: 0.40760522236661706
Energy: 0.4385218464186525
Energy: 0.47525119558907397
Energy: 0.4798990082362877
Energy: 0.4384314666641779
Energy: 0.44794370476860706
Energy: 0.426331115667716
Energy: 0.4699441131485693
Energy: 0.4455728689496351
Energy: 0.4984142671255095
Energy: 0.4715261055633831
Energy: 0.5723359068844039
Energy: 0.423516543655298
Energy: 0.4067583786546897
Energy: 0.461804834678687
Energy: 0.42350415649342543
Energy: 0.40643031281531017
Energy: 0.5178453895625946
Energy: 0.4283242732226844
Energy: 0.4237336300669589
Energy: 0.5101512867369152
Energy: 0.4265291329124005
Energy: 0.45729916380066316
Energy: 0.5034637975856421
Energy: 0.46864933411736315
Energy: 0.4659861630650459
Energy: 0.5043124305346328
Energy: 0.4649009555244493
Energy: 0.44507879079874546
Energy: 0.39966728402843943
Energy: 0.4757583006184863
Energy: 0.3982427154597621
Energy: 0.40070476801603555
Energy: 0.5170834086043403
Energy: 0.3980665092541948
Energy: 0.3985221277610495
Energy: 0.47296541790783997
Energy: 0.4679642020090302
Energy: 0.398544478244
Energy: 0.4685385403139576
Energy: 0.4696294524948108
Energy: 0.5359550298335264
Energy: 0.386202622040969
Energy: 0.4630730699771028
Energy: 0.459898969325814
Energy: 0.39453009122480903
Energy: 0.4632645985377251
Energy: 0.5122400070775573
Energy: 0.3905436228580345
Energy: 0.3860338962993964
Energy: 0.5130966876598209
Energy: 0.39057765576598685
Energy: 0.4602100727353226
Energy: 0.45420944311289735
Energy: 0.45821717604510676
Energy: 0.4538472114717
Energy: 0.4619387494141795
Energy: 0.46206714521248987
Energy: 0.45616227092318823
Energy: 0.38622559076561913
Energy: 0.46258519344137594
Energy: 0.3859528800181867
Energy: 0.3872996234137164
Energy: 0.5129943898956839
Energy: 0.3858507482631446
Energy: 0.38625218689090296
Energy: 0.4619633024162534
Energy: 0.46174046023111415
Energy: 0.3863011474352664
Energy: 0.46258979814668094
Energy: 0.4607430856545489
Energy: 0.5057123160071023
Energy: 0.3985363833840286
Energy: 0.46879068566088145
Energy: 0.46964688125175474
Energy: 0.40440752004650954
Energy: 0.4672920289648385
Energy: 0.40628136757712713
Energy: 0.4035578506756576
Energy: 0.3982514943647067
Energy: 0.46181717727465527
Energy: 0.403141738376252
Energy: 0.43832702236671295
Energy: 0.4230918291170035
Energy: 0.43848860027970193
Energy: 0.44018282613554477
Energy: 0.42292273676830705
Energy: 0.4830440479711311
Energy: 0.4377052967766868
Energy: 0.42352604372450753
Energy: 0.44502929850574047
Energy: 0.4234155243482026
Energy: 0.4244366249103235
Energy: 0.5132864634923177
Energy: 0.4233844826853588
Energy: 0.512527663930255
Energy: 0.43790761995155925
Energy: 0.4460881685326502
Energy: 0.5129715326970935
Energy: 0.43687186543290185
Energy: 0.47057575832340615
Energy: 0.5124301447114292
Energy: 0.47239422739560144
Energy: 0.47184044998909797
Energy: 0.5065174726797276
Energy: 0.47731259941313475
Energy: 0.4714741550586362
Energy: 0.47806295876986826
Energy: 0.47184181029716693
Energy: 0.4487568164878513
Energy: 0.4387058583459292
Energy: 0.4770805790817671
Energy: 0.42330937988684386
Energy: 0.430925833520062
Energy: 0.5011539695135387
Energy: 0.47197700722525365
Energy: 0.4304569722618692
Energy: 0.5368011835520174
Energy: 0.47164932032181595
Energy: 0.5099516302327889
Energy: 0.4274778215174597
Energy: 0.4692413054175821
Energy: 0.5106038480830086
Energy: 0.4997132164863796
Energy: 0.47201450323454186
Energy: 0.5394287725428947
Energy: 0.4230831571501164
Energy: 0.4233589107836989
Energy: 0.5398379922764607
Energy: 0.4233901667236211
Energy: 0.47161816805226103
Energy: 0.5394469969906948
Energy: 0.47684297538865467
Energy: 0.47187255936724
Energy: 0.5397815988184439
Energy: 0.4761362366528755
Energy: 0.4717328193191066
Energy: 0.4383114185095164
Energy: 0.5008640078030923
Energy: 0.43885563340237904
Energy: 0.40716690039673203
Energy: 0.5384396969532778
Energy: 0.43873023057683985

minimum gb energy = 0.3858507482631446 eV
minimum distance =  2.61047776379697 Angstroms
sigma value = 43


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

Energy: 0.5763328818740812
Energy: 0.5183248230131152
Energy: 0.4186523037882731
Energy: 0.3770541947139673
Energy: 0.5175891610079224
Energy: 0.3925274092282534
Energy: 0.4700609836156371
Energy: 0.42436347318931006
Energy: 0.4242585912202269
Energy: 0.42469097517701365
Energy: 0.4272003712402784
Energy: 0.4206643562597735
Energy: 0.47330800593765254
Energy: 0.4106222791176759
Energy: 0.37504593287579047
Energy: 0.473386248993277
Energy: 0.41099209347401683
Energy: 0.37203023037688343
Energy: 0.4265457744995382
Energy: 0.3745753453189689
Energy: 0.3727476269481135
Energy: 0.42663102571777833
Energy: 0.44702476229707583
Energy: 0.39914084815682754
Energy: 0.4282974677130029
Energy: 0.38596938973238226
Energy: 0.38589716967489934
Energy: 0.4281821881522215
Energy: 0.4149388535341538
Energy: 0.41248175247216073
Energy: 0.5307348879696873
Energy: 0.38601882173211094
Energy: 0.37204844647622937
Energy: 0.40130283483055257
Energy: 0.38592995686158593
Energy: 0.3526612477686895
Energy: 0.4517553913261429
Energy: 0.3860689515946236
Energy: 0.38589922525263637
Energy: 0.3937042737115002
Energy: 0.38857036304045
Energy: 0.3863270287703126
Energy: 0.44537756268142686
Energy: 0.4008594550063083
Energy: 0.41004114299782995
Energy: 0.4452739606634932
Energy: 0.40071086255037464
Energy: 0.4100473681461487
Energy: 0.36376435538295177
Energy: 0.41021734667499843
Energy: 0.36263212890223434
Energy: 0.3644743135431991
Energy: 0.4466595088017105
Energy: 0.3627015352354403
Energy: 0.3625690434378869
Energy: 0.4046295823940234
Energy: 0.41650961713490564
Energy: 0.36259036312439863
Energy: 0.3778297279042022
Energy: 0.4183423916343223
Energy: 0.34199761443742294
Energy: 0.34669607527851276
Energy: 0.3794150584398247
Energy: 0.39548202866201737
Energy: 0.34667083204989196
Energy: 0.4012892437506112
Energy: 0.44343749661005805
Energy: 0.34666165200069654
Energy: 0.3467664823575694
Energy: 0.42392450825967243
Energy: 0.34678933653743743
Energy: 0.4073473423123316
Energy: 0.4385625975745686
Energy: 0.39553864181728526
Energy: 0.3976952347835073
Energy: 0.43925829526214716
Energy: 0.3953682969056539
Energy: 0.39862017027439994
Energy: 0.33696084407739035
Energy: 0.42553860075518046
Energy: 0.3365824431094858
Energy: 0.33783417378634795
Energy: 0.4393007625127995
Energy: 0.3366794874634216
Energy: 0.33639164821142253
Energy: 0.39175536846428743
Energy: 0.39622284746742625
Energy: 0.3364193867610768
Energy: 0.3989792236810266
Energy: 0.39917163526917643
Energy: 0.43776220673357796
Energy: 0.33196309327736234
Energy: 0.33176029478120805
Energy: 0.3950441389244249
Energy: 0.3319524171251875
Energy: 0.39549376409240683
Energy: 0.4402575424360293
Energy: 0.33182776851950846
Energy: 0.33182106513170223
Energy: 0.39634039212301125
Energy: 0.33196074847505025
Energy: 0.3961166645064512
Energy: 0.4386104779525224
Energy: 0.3877862478664803
Energy: 0.3901215875569295
Energy: 0.4395706170177423
Energy: 0.3920456473030471
Energy: 0.3948923225785589
Energy: 0.33182020231646964
Energy: 0.43643885454456627
Energy: 0.3321265430142525
Energy: 0.3329459366997089
Energy: 0.43866001059699733
Energy: 0.33180658057628704
Energy: 0.43700935287945014
Energy: 0.3930194814469898
Energy: 0.3869586725846895
Energy: 0.4379990800495558
Energy: 0.3934201448765056
Energy: 0.3989177262666856
Energy: 0.44050261535088125
Energy: 0.3367669635019738
Energy: 0.3366995462077478
Energy: 0.39546526506970137
Energy: 0.3367168943306575
Energy: 0.39890948360905043
Energy: 0.38721762206126775
Energy: 0.33685731759871407
Energy: 0.3364224670740662
Energy: 0.39917183960197994
Energy: 0.3368949128226034
Energy: 0.3991973059065034
Energy: 0.3465000152091658
Energy: 0.3978258019328879
Energy: 0.4033416397530665
Energy: 0.34652666180114766
Energy: 0.3994645370036587
Energy: 0.4029793254942365
Energy: 0.3469592528177265
Energy: 0.44375422513150153
Energy: 0.34672719676759584
Energy: 0.34786008860407724
Energy: 0.4439523905540948
Energy: 0.3468101881310718
Energy: 0.4419525804925919
Energy: 0.39835857968761595
Energy: 0.4062241125760815
Energy: 0.44294422535292605
Energy: 0.3982422701776815
Energy: 0.4068434477348271
Energy: 0.45236597580304566
Energy: 0.3627591832880017
Energy: 0.362792738735926
Energy: 0.4124979172258802
Energy: 0.3628211596485876
Energy: 0.41878994547890563
Energy: 0.34678311850067556
Energy: 0.3627137898119642
Energy: 0.3627110365864657
Energy: 0.3983982022197217
Energy: 0.36273263759200475
Energy: 0.4054347586394685
Energy: 0.3856729752789358
Energy: 0.3634685002549894
Energy: 0.40035056689234927
Energy: 0.3857503329903641
Energy: 0.4000282798014421
Energy: 0.39788040551633436
Energy: 0.3869445870229655
Energy: 0.4169810875636377
Energy: 0.38592779876391103
Energy: 0.3875066057430293
Energy: 0.4517685584049502
Energy: 0.3860044572290286
Energy: 0.45405141521563247
Energy: 0.40556524797469284
Energy: 0.39231680383601364
Energy: 0.4503377500759188
Energy: 0.40583915281084104
Energy: 0.39234363038204756
Energy: 0.44949750398082744
Energy: 0.42438931816466674
Energy: 0.42404907239984585
Energy: 0.38592855232055273
Energy: 0.42691696741653223
Energy: 0.4219016834849227
Energy: 0.36366778579605724
Energy: 0.4242068647507942
Energy: 0.40524463011940937
Energy: 0.40724350612820104
Energy: 0.4241361086512574
Energy: 0.36294548122685605
Energy: 0.42207749159987135
Energy: 0.4241207216721455
Energy: 0.42417213171122253
Energy: 0.42215801146974
Energy: 0.4708045582066238
Energy: 0.4240270558724054
Energy: 0.4530686227922362
Energy: 0.3859575366369516
Energy: 0.38597229924578214
Energy: 0.4535030942866885
Energy: 0.452928317982652
Energy: 0.424119519438261
Energy: 0.4726770508282378
Energy: 0.3647839188186897
Energy: 0.38683060950028525
Energy: 0.4708693259630237
Energy: 0.36358031861635975
Energy: 0.38620128779500684
Energy: 0.4543887279683369
Energy: 0.42422637998304136
Energy: 0.42400370954947797
Energy: 0.4521433155107386
Energy: 0.4453280177261908
Energy: 0.4240952722970794

minimum gb energy = 0.33176029478120805 eV
minimum distance =  2.58611629743795 Angstroms
sigma value = 81


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

Energy: 0.1597552628502974
Energy: 0.27325876542139443
Energy: 0.08346077668176353
Energy: 0.08462146430413797
Energy: 0.2733785000576429
Energy: 0.15978593047022682
Energy: 0.26071458742552506
Energy: 0.2432290687821619
Energy: 0.24342641487676514
Energy: 0.2837302534097828
Energy: 0.24471035809175837
Energy: 0.24094070023537187
Energy: 0.25848945443202026
Energy: 0.08347137826998403
Energy: 0.08352324089683504
Energy: 0.28156492972032654
Energy: 0.08337291980884007
Energy: 0.08379122697238345
Energy: 0.2526948985608766
Energy: 0.0835022901290767
Energy: 0.08345106613018471
Energy: 0.2518872263337197
Energy: 0.08350274105323727
Energy: 0.10633329849188893
Energy: 0.10594816944478885
Energy: 0.2644809640059512
Energy: 0.2640229193398242
Energy: 0.10665056908991634
Energy: 0.264001955447004
Energy: 0.26541695526218717
Energy: 0.08378110021086613
Energy: 0.24214697055569562
Energy: 0.0837034796532773
Energy: 0.08489434940321824
Energy: 0.158972473996349
Energy: 0.08339568869798429
Energy: 0.27245894882866384
Energy: 0.24243650664275965
Energy: 0.2420756446863472
Energy: 0.2700897212792091
Energy: 0.2420430594378574
Energy: 0.24223689864555575
Energy: 0.27276734381558954
Energy: 0.08343259921033963
Energy: 0.08349607386914844
Energy: 0.27178410771981726
Energy: 0.08336796788955667
Energy: 0.08356611488158176
Energy: 0.2378989092043537
Energy: 0.0835385885000635
Energy: 0.10681143713546788
Energy: 0.2621009407136229
Energy: 0.08339221095148121
Energy: 0.10729209776661924
Energy: 0.15982351769480407
Energy: 0.2642871722873853
Energy: 0.26591662466054816
Energy: 0.08362471841679994
Energy: 0.26586383612267134
Energy: 0.2657570976686959

minimum gb energy = 0.08336796788955667 eV
minimum distance =  2.76634805009936 Angstroms
sigma value = 3


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

Energy: 0.4914458883868475
Energy: 0.616910857780837
Energy: 0.47616257621385927
Energy: 0.4487804266800462
Energy: 0.6168743789936566
Energy: 0.44935842277342636
Energy: 0.4610844802654964
Energy: 0.45220020943697214
Energy: 0.451981056605276
Energy: 0.4526234683315023
Energy: 0.45287527743182926
Energy: 0.45635552545250563
Energy: 0.46608540591961795
Energy: 0.44228049851651197
Energy: 0.4422655662167177
Energy: 0.4660013362555745
Energy: 0.43235464708641524
Energy: 0.45580426166682886
Energy: 0.4327241178015545
Energy: 0.441959956860155
Energy: 0.4419093568269871
Energy: 0.4337958782411051
Energy: 0.39531738711335923
Energy: 0.45599669975574786
Energy: 0.39498860596661084
Energy: 0.4521030472427592
Energy: 0.45652221619262967
Energy: 0.3950647520619117
Energy: 0.4527881555470453
Energy: 0.4561782627686912
Energy: 0.42920561768068355
Energy: 0.4588120105148517
Energy: 0.4432809879905628
Energy: 0.4250731850235896
Energy: 0.4478589641012375
Energy: 0.4239305237136753
Energy: 0.4281568010164232
Energy: 0.39579327064874
Energy: 0.43212230252064515
Energy: 0.42720957379904007
Energy: 0.3970854550431205
Energy: 0.45879081699552854
Energy: 0.43269074626358955
Energy: 0.4240528114429726
Energy: 0.42376351955115227
Energy: 0.4326360565985726
Energy: 0.4127581248839454
Energy: 0.40651761040599593
Energy: 0.4270317390557472
Energy: 0.4231688712874068
Energy: 0.4429558149839138
Energy: 0.4342581713759276
Energy: 0.3731009292613138
Energy: 0.44328698058232213
Energy: 0.37250707925183485
Energy: 0.39570964804724346
Energy: 0.3956392510649247
Energy: 0.37257873916242745
Energy: 0.39726285433254094
Energy: 0.4065962594445939
Energy: 0.41465718109431204
Energy: 0.42468301020310995
Energy: 0.42425155399941544
Energy: 0.41368622768316243
Energy: 0.415251148454444
Energy: 0.4130430834810029
Energy: 0.3735599055663672
Energy: 0.4235364289006085
Energy: 0.4244880853169
Energy: 0.3732178913078658
Energy: 0.4155282020003583
Energy: 0.37291279471862115
Energy: 0.3717227860310123
Energy: 0.4072028908123783
Energy: 0.4136025762600444
Energy: 0.3718232563156703
Energy: 0.4073471267593823
Energy: 0.3716880556826157
Energy: 0.4112174432237776
Energy: 0.41968135539551354
Energy: 0.4124891628310005
Energy: 0.4129034466293292
Energy: 0.42024879874592747
Energy: 0.4135216875625577
Energy: 0.40931606220575606
Energy: 0.3578612309144705
Energy: 0.3576423407546962
Energy: 0.40695195114551214
Energy: 0.3590072828733742
Energy: 0.35749713180101145
Energy: 0.406950534577666
Energy: 0.40905528876718494
Energy: 0.4085588277809313
Energy: 0.40682099075334205
Energy: 0.4060830027536105
Energy: 0.4092069468670702
Energy: 0.3509789906635592
Energy: 0.40734716529106474
Energy: 0.4062795446000779
Energy: 0.3510811619746795
Energy: 0.4079189575335702
Energy: 0.35085296220598927
Energy: 0.3508384679616582
Energy: 0.4053729554778749
Energy: 0.4080185901704622
Energy: 0.35088947497905604
Energy: 0.4053196422465615
Energy: 0.4175306211140473
Energy: 0.4196848330727804
Energy: 0.4169162674705689
Energy: 0.4060522276299366
Energy: 0.4053214271696161
Energy: 0.41852797781440365
Energy: 0.407598561258463
Energy: 0.40314590708754433
Energy: 0.350947168258741
Energy: 0.35087876432477166
Energy: 0.40417507694411486
Energy: 0.3529743327440475
Energy: 0.3506554610106392
Energy: 0.406089498679274
Energy: 0.4065791317864575
Energy: 0.40858608158167636
Energy: 0.406253530720922
Energy: 0.4070268626861505
Energy: 0.407151691187931
Energy: 0.3589397686497836
Energy: 0.4069157826194016
Energy: 0.40783912152728385
Energy: 0.35973305966089136
Energy: 0.4068657336543326
Energy: 0.35763117643952114
Energy: 0.3588983437092737
Energy: 0.4135508349616684
Energy: 0.41384647894319043
Energy: 0.3589645144219921
Energy: 0.41224131140261017
Energy: 0.41239133926981425
Energy: 0.40946159163321466
Energy: 0.37208315824241667
Energy: 0.37204269844160304
Energy: 0.4091385114291319
Energy: 0.37210918061931875
Energy: 0.4084764174305051
Energy: 0.4172611214703011
Energy: 0.3721059775217641
Energy: 0.3723229891238216
Energy: 0.41755109930226625
Energy: 0.3721747057451826
Energy: 0.3725238903936109
Energy: 0.416298420581639
Energy: 0.4164393552650003
Energy: 0.4164435046758981
Energy: 0.41637719636767656
Energy: 0.41635235869528936
Energy: 0.4246740339655782
Energy: 0.39563161622396636
Energy: 0.4158507474516529
Energy: 0.41638827608532136
Energy: 0.3965960403407653
Energy: 0.42194692283786295
Energy: 0.3954859795624508
Energy: 0.38178600991028255
Energy: 0.4341192132463355
Energy: 0.4335723972400716
Energy: 0.3817577695474184
Energy: 0.4013336280551068
Energy: 0.43312506771233356
Energy: 0.41968051406328777
Energy: 0.43261195687515624
Energy: 0.42146755068104413
Energy: 0.41739582477146775
Energy: 0.4326146444717979
Energy: 0.4163710610161686
Energy: 0.39647240790674865
Energy: 0.4254981639404515
Energy: 0.4226312137763413
Energy: 0.39707269555353575
Energy: 0.42805733666171986
Energy: 0.42237953755433916
Energy: 0.42380173049098807
Energy: 0.43033281649602684
Energy: 0.43008394674640826
Energy: 0.42364741911836085
Energy: 0.4165781112226444
Energy: 0.4300585602513016
Energy: 0.46673391661511465
Energy: 0.4298656327494578
Energy: 0.45402202159842237
Energy: 0.4668442913561272
Energy: 0.41062918277981864
Energy: 0.4565346507121222
Energy: 0.4084137071182973
Energy: 0.43274684682833264
Energy: 0.4324817476706007
Energy: 0.40845084580074453
Energy: 0.4340714664760179
Energy: 0.45560271603019475

minimum gb energy = 0.3506554610106392 eV
minimum distance =  2.66504233108126 Angstroms
sigma value = 67


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

Energy: 0.5183863859930068
Energy: 0.5598854503498483
Energy: 0.5282147874706488
Energy: 0.5189375310890384
Energy: 0.6655152214926202
Energy: 0.530108072138232
Energy: 0.5304431819074567
Energy: 0.5232833575855528
Energy: 0.5168936170696133
Energy: 0.5304800830741998
Energy: 0.5196577538484571
Energy: 0.5224135794405373
Energy: 0.5318359914574803
Energy: 0.5015415963407798
Energy: 0.5210730434798277
Energy: 0.5323966246254457
Energy: 0.5146947819145749
Energy: 0.5215300007393282
Energy: 0.4781987702531331
Energy: 0.5211458665979846
Energy: 0.5214476006934224
Energy: 0.47884534084637337
Energy: 0.48202808632632915
Energy: 0.5214476170578385
Energy: 0.47891575725642244
Energy: 0.52069083295648
Energy: 0.5260385254946615
Energy: 0.4785148819603437
Energy: 0.5395588448695778
Energy: 0.521831603162687
Energy: 0.48433940726623365
Energy: 0.5347041130992767
Energy: 0.500477817897074
Energy: 0.5010781817884524
Energy: 0.5177871559974917
Energy: 0.5017204287727042
Energy: 0.4791501260443472
Energy: 0.4759022229059523
Energy: 0.48583119209514075
Energy: 0.4795295741353598
Energy: 0.438121463523397
Energy: 0.47359531848327907
Energy: 0.4813126098366985
Energy: 0.48211897537911935
Energy: 0.48592071866465497
Energy: 0.48223758095809377
Energy: 0.4816141215201521
Energy: 0.4833091805618873
Energy: 0.48630306028355613
Energy: 0.5014379730595206
Energy: 0.5053619367086295
Energy: 0.494181142886744
Energy: 0.4357952412216754
Energy: 0.5039189992167857
Energy: 0.48632192019882203
Energy: 0.4383388306088509
Energy: 0.43565062830543444
Energy: 0.4870399561512579
Energy: 0.4369882245032403
Energy: 0.4352166237983757
Energy: 0.484919558196845
Energy: 0.48567557824597896
Energy: 0.48481644081369946
Energy: 0.4821898439211135
Energy: 0.49164778486263433
Energy: 0.4857537560057334
Energy: 0.41603131928029685
Energy: 0.48421070049867065
Energy: 0.48317745897768527
Energy: 0.41606543620436437
Energy: 0.479506842248263
Energy: 0.41618430574162985
Energy: 0.41997628338544624
Energy: 0.48018035838561446
Energy: 0.47900707256224473
Energy: 0.41593668965090846
Energy: 0.4766891709715419
Energy: 0.4159212834218604
Energy: 0.47154060378257184
Energy: 0.48579306740313927
Energy: 0.47778107805232917
Energy: 0.47657747916980286
Energy: 0.48386043761771436
Energy: 0.47874418609101477
Energy: 0.47209405147794986
Energy: 0.4188437328880966
Energy: 0.4160574325905973
Energy: 0.4725921992159465
Energy: 0.4179297592572158
Energy: 0.41610009937065373
Energy: 0.47210842092648253
Energy: 0.48683564400368445
Energy: 0.48435881521253266
Energy: 0.4850790622876147
Energy: 0.45256264759439224
Energy: 0.4831723369487641
Energy: 0.4378659285687356
Energy: 0.48002812998135685
Energy: 0.47791970425429087
Energy: 0.4382346583405616
Energy: 0.47559048481427013
Energy: 0.4356037386768174
Energy: 0.43692197175635683
Energy: 0.49397643838567457
Energy: 0.5031034682566745
Energy: 0.4368423100423781
Energy: 0.45382691314138296
Energy: 0.47684020161512486
Energy: 0.4755775733559937
Energy: 0.5121428003447083
Energy: 0.4872473824354476
Energy: 0.4872430061948948
Energy: 0.5153264462212573
Energy: 0.4873146125453938
Energy: 0.4755302953333046
Energy: 0.48118870134404773
Energy: 0.4855007564306006
Energy: 0.4750764154297359
Energy: 0.4824286667537539
Energy: 0.48404210016693605
Energy: 0.4728603481776102
Energy: 0.5133324328668747
Energy: 0.513515053960267
Energy: 0.473378649387051
Energy: 0.4594863669910639
Energy: 0.5187699604805118
Energy: 0.5333551618640109
Energy: 0.4867450319095344
Energy: 0.5134952997632861
Energy: 0.5322886565951823
Energy: 0.4992719517601496
Energy: 0.513730328113613
Energy: 0.5069283530833709
Energy: 0.47944625752654046
Energy: 0.48412747516160315
Energy: 0.5051070937390817
Energy: 0.48120386630299483
Energy: 0.522435194765862

minimum gb energy = 0.4159212834218604 eV
minimum distance =  2.61012467577133 Angstroms
sigma value = 33


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

Energy: 0.6631003677466392
Energy: 0.6271999963872321
Energy: 0.6115453150237828
Energy: 0.6653489732485708
Energy: 0.6272153134228555
Energy: 0.5574743844793466
Energy: 0.5591268182279266
Energy: 0.5447493355652461
Energy: 0.5441839991150927
Energy: 0.5588478555101462
Energy: 0.5604647067525989
Energy: 0.5453775467108327
Energy: 0.5601242349605104
Energy: 0.5520774396028469
Energy: 0.5519394528931579
Energy: 0.5607637582698659
Energy: 0.5474273147902918
Energy: 0.5435639845748541
Energy: 0.494498564362768
Energy: 0.5522389874861173
Energy: 0.5520461909280825
Energy: 0.495078049931827
Energy: 0.4975709492624269
Energy: 0.5521103862233787
Energy: 0.4948291735717815
Energy: 0.5453157153948683
Energy: 0.5446416915521344
Energy: 0.4948441377335093
Energy: 0.5600095852284962
Energy: 0.5531860264046966
Energy: 0.544774570616039
Energy: 0.5727935195982827
Energy: 0.5676638072650582
Energy: 0.549189021872177
Energy: 0.5878205840404017
Energy: 0.5297714415850331
Energy: 0.49490930583586024
Energy: 0.5077002290866736
Energy: 0.5542619889490094
Energy: 0.4951323074383066
Energy: 0.4980194330477603
Energy: 0.49107544208812237
Energy: 0.495969747320492
Energy: 0.5302134377376655
Energy: 0.5299103440839357
Energy: 0.4945201102797396
Energy: 0.5298679429712904
Energy: 0.49435137768352155
Energy: 0.5156552898770448
Energy: 0.5298659914310027
Energy: 0.5324735612334853
Energy: 0.5263775844798846
Energy: 0.4551614906083613
Energy: 0.5299890251016904
Energy: 0.5139389098661422
Energy: 0.45542624279665767
Energy: 0.4556063421000367
Energy: 0.514879966607859
Energy: 0.45581370952430506
Energy: 0.4552197664659754
Energy: 0.5146103435518112
Energy: 0.5185127906228345
Energy: 0.5196510927168321
Energy: 0.5174146280228055
Energy: 0.5163137083169687
Energy: 0.5190920448091961
Energy: 0.45516431221774806
Energy: 0.5176593779782392
Energy: 0.5209161797422972
Energy: 0.4551934531740522
Energy: 0.5148830892826461
Energy: 0.4552686784479318
Energy: 0.4555160413867364
Energy: 0.5314021250098234
Energy: 0.5331271503491768
Energy: 0.4555378195161948
Energy: 0.514559144659222
Energy: 0.45501349889742804
Energy: 0.5190440310993396
Energy: 0.5333968946264107
Energy: 0.5305014759095944
Energy: 0.5235775471885283
Energy: 0.5360118568555408
Energy: 0.5165086929196955
Energy: 0.5175129331535818
Energy: 0.49488704218425644
Energy: 0.4938739608244281
Energy: 0.48838059123227323
Energy: 0.49525162203820433
Energy: 0.5036042680935019
Energy: 0.49324908719864924
Energy: 0.5406697757403336
Energy: 0.5405878671594087
Energy: 0.5040722132834912
Energy: 0.4634875549672808
Energy: 0.5529358294336941
Energy: 0.5590795656373038
Energy: 0.5405941890264949
Energy: 0.5405796028557923
Energy: 0.5590811785925945
Energy: 0.540214536401355
Energy: 0.533364689496835
Energy: 0.5591823738945145
Energy: 0.4949018214494092
Energy: 0.5447086113478324
Energy: 0.5584339254665127
Energy: 0.4948439502700121
Energy: 0.5416861750423281
Energy: 0.5682371496366375
Energy: 0.5484985510816346
Energy: 0.5909906259563432
Energy: 0.5685235138806146
Energy: 0.572843420803319
Energy: 0.5330486982227339
Energy: 0.5232869920872054
Energy: 0.5457057350126425
Energy: 0.5444960687054405
Energy: 0.5233834476917574
Energy: 0.5599392661758867
Energy: 0.5447245855331259
Energy: 0.5590089429180463
Energy: 0.5521493120226454
Energy: 0.5520402943117328
Energy: 0.5596527704312105
Energy: 0.49783114676003554
Energy: 0.552703904958277
Energy: 0.4947007853841008
Energy: 0.552151670362191
Energy: 0.5520830812507935
Energy: 0.49514315252681823
Energy: 0.5477584203822338
Energy: 0.5519910495187375
Energy: 0.4946879280574865
Energy: 0.5450643377601068
Energy: 0.5401660177977677
Energy: 0.49476937714922486
Energy: 0.560601486448226
Energy: 0.5531761693577366
Energy: 0.5443794642579591
Energy: 0.5865958303519745
Energy: 0.5678190355020942
Energy: 0.5445539378912213
Energy: 0.586356983141682
Energy: 0.5225539783835303
Energy: 0.49454058517906185
Energy: 0.5062511213072239
Energy: 0.5534718912238679
Energy: 0.49455111915059113
Energy: 0.49799985940729335
Energy: 0.5546785785306126
Energy: 0.49458542379963927
Energy: 0.5302590568589736
Energy: 0.5300539121433839
Energy: 0.49526926201092253
Energy: 0.5300021879594401
Energy: 0.49423991075654183
Energy: 0.5147540979348568
Energy: 0.5304860984095128
Energy: 0.5324750931976001
Energy: 0.5376600679536998
Energy: 0.45500526004362246
Energy: 0.5302574029742984
Energy: 0.5140177922817367
Energy: 0.4554852779584018
Energy: 0.4554594993702405
Energy: 0.515063714045946
Energy: 0.4563601534314699
Energy: 0.45516111165490536
Energy: 0.5149525346410964
Energy: 0.48896397588215534
Energy: 0.5179641085882082
Energy: 0.5178631825007092
Energy: 0.5152919411948834
Energy: 0.5212416782761686
Energy: 0.45511055395366673
Energy: 0.5180161585803034
Energy: 0.517810267149353
Energy: 0.45516669882185046
Energy: 0.5154628729642932
Energy: 0.45472395475494015
Energy: 0.4553098767186942
Energy: 0.5223395130147519
Energy: 0.49587639043478116
Energy: 0.4553205074809951
Energy: 0.4871706188990528
Energy: 0.45514919236730494
Energy: 0.5202938294225977
Energy: 0.5327439183533863
Energy: 0.5323246748139215
Energy: 0.48804256797562284
Energy: 0.5358582334504485
Energy: 0.5195035869533027
Energy: 0.4872119251063706
Energy: 0.49473182047866526
Energy: 0.4946240037983227
Energy: 0.4876915709876724
Energy: 0.49512904407305797
Energy: 0.5036169245610131
Energy: 0.49948559292335265
Energy: 0.4633073070886666
Energy: 0.5528914482600334
Energy: 0.4998641494722088
Energy: 0.4634505504913399
Energy: 0.5534525506099578
Energy: 0.5588505793765902
Energy: 0.5404108561867477
Energy: 0.5406022318021552
Energy: 0.5587417143037513
Energy: 0.5236406365440704
Energy: 0.5335066125191603
Energy: 0.5602208940931591
Energy: 0.4942457149129533
Energy: 0.4951141690281137
Energy: 0.5599517710056624
Energy: 0.49424181714097887
Energy: 0.5402847798684531
Energy: 0.5682394273808089
Energy: 0.5587351388046544
Energy: 0.5783894380804221
Energy: 0.5624771591355675
Energy: 0.5479057399398525
Energy: 0.5412151378662343

minimum gb energy = 0.45472395475494015 eV
minimum distance =  2.58533155222238 Angstroms
sigma value = 41


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

Energy: 0.6314411817252397
Energy: 0.6090488623641749
Energy: 0.6445678853256368
Energy: 0.6328406735244032
Energy: 0.6091393683644798
Energy: 0.6455003506771178
Energy: 0.583766772658835
Energy: 0.5667191734504238
Energy: 0.5663706509869963
Energy: 0.5837851042719476
Energy: 0.585270522161622
Energy: 0.5665912095530089
Energy: 0.5828524066233839
Energy: 0.5853278873192983
Energy: 0.5860692582665783
Energy: 0.583541845613293
Energy: 0.5646116698990086
Energy: 0.564980533202452
Energy: 0.512102016005339
Energy: 0.5852658827919872
Energy: 0.5860105876305531
Energy: 0.5124859241878582
Energy: 0.5105760984957891
Energy: 0.5671008396924224
Energy: 0.5118740190463329
Energy: 0.5862874833660295
Energy: 0.5667581073840663
Energy: 0.5118143072176174
Energy: 0.5832362383650005
Energy: 0.588247227035297
Energy: 0.579055693136047
Energy: 0.6013229201296338
Energy: 0.6039368181755539
Energy: 0.5789282453342113
Energy: 0.6249557989573998
Energy: 0.6038057535045424
Energy: 0.5118500690399311
Energy: 0.5878376170356716
Energy: 0.5873752677188118
Energy: 0.5120172653891019
Energy: 0.5856983710509875
Energy: 0.5121368205228286
Energy: 0.5133451249678609
Energy: 0.5749727224589081
Energy: 0.5334359291377629
Energy: 0.5140757536411895
Energy: 0.5810424214612766
Energy: 0.512119027984126
Energy: 0.5623125334367289
Energy: 0.5831606141316492
Energy: 0.5743150937330109
Energy: 0.5630290891896205
Energy: 0.5338602743148732
Energy: 0.5739328547908724
Energy: 0.5364932634519591
Energy: 0.5147758136737174
Energy: 0.5124450226972116
Energy: 0.5359044303876698
Energy: 0.5122347535112909
Energy: 0.5363243112266769
Energy: 0.5291742085251302
Energy: 0.5154955617950159
Energy: 0.5870094181116086
Energy: 0.5296947279675246
Energy: 0.48864007601008674
Energy: 0.5865890070681659
Energy: 0.5829364910800577
Energy: 0.5719264668607618
Energy: 0.5550673738863102
Energy: 0.5830775171905255
Energy: 0.5875701021101161
Energy: 0.5554057862087286
Energy: 0.5866036447343748
Energy: 0.5663630434182381
Energy: 0.5661111068481274
Energy: 0.58424856144724
Energy: 0.5671889908489763
Energy: 0.5670710761866685
Energy: 0.5906431156821559
Energy: 0.5821256980145333
Energy: 0.6287121869253086
Energy: 0.5912152043943286
Energy: 0.5656874719267625
Energy: 0.629757079432257

minimum gb energy = 0.48864007601008674 eV
minimum distance =  2.6079376340606 Angstroms
sigma value = 11


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

Energy: 0.7933452024979379
Energy: 0.6350963871742571
Energy: 0.5812305465577176
Energy: 0.7942737300337124
Energy: 0.6938736698849208
Energy: 0.5794565082794839
Energy: 0.6067886968071082
Energy: 0.5424859803622564
Energy: 0.5405099920121693
Energy: 0.6069031171234702
Energy: 0.5425379845918441
Energy: 0.5567482013183964
Energy: 0.6063325921582093
Energy: 0.5566272409474052
Energy: 0.5908520204666704
Energy: 0.6069629842649567
Energy: 0.5399903733759529
Energy: 0.6139664112571758
Energy: 0.573277123317237
Energy: 0.5439857364445683
Energy: 0.5564301835170076
Energy: 0.573989504185026
Energy: 0.528235311367523
Energy: 0.5947384699973414
Energy: 0.5779721887169452
Energy: 0.5426387656879206
Energy: 0.5423984166999273
Energy: 0.5776243183639802
Energy: 0.5428496541688927
Energy: 0.5561489709265277
Energy: 0.6135511792926546
Energy: 0.5695573345402702
Energy: 0.5584080677965064
Energy: 0.5775678470948199
Energy: 0.5690263284626916
Energy: 0.607103107523926
Energy: 0.5691268553394407
Energy: 0.5849406686201201
Energy: 0.597876885462454
Energy: 0.5691248847856081
Energy: 0.5808439264619416
Energy: 0.5694097224189442
Energy: 0.5427024429982986
Energy: 0.5780399152659108
Energy: 0.573634051942551
Energy: 0.5427682945137039
Energy: 0.5780101139227348
Energy: 0.5425802317013702
Energy: 0.5372253009961965
Energy: 0.6067676769145367
Energy: 0.5975837598312584
Energy: 0.5373078197586242
Energy: 0.5725786248987986
Energy: 0.5299589986577152
Energy: 0.5471694346542756
Energy: 0.6059019897007067
Energy: 0.6063445781965765
Energy: 0.5472564943079088
Energy: 0.6073438634620872
Energy: 0.5302232181867168
Energy: 0.5430797651419418
Energy: 0.5709844746136833
Energy: 0.5567110766524263
Energy: 0.5427779695042309
Energy: 0.5703440301651919
Energy: 0.5425319174174226
Energy: 0.5521031230879682
Energy: 0.5555942264434484
Energy: 0.5691007419304204
Energy: 0.55092853372673
Energy: 0.7550687343623986
Energy: 0.5988032494455501
Energy: 0.540577306972341
Energy: 0.5812315476776223
Energy: 0.5887176194827879
Energy: 0.5406931640455348
Energy: 0.6071235616182564
Energy: 0.5564749384749456
Energy: 0.554979244151584
Energy: 0.605982736279288
Energy: 0.606338973353795
Energy: 0.5582953980912277
Energy: 0.6060220898507369
Energy: 0.5731129726784602
Energy: 0.5286635694761602
Energy: 0.5742322810337118
Energy: 0.5739905819075498
Energy: 0.5287172704762845
Energy: 0.5779427916615487
Energy: 0.5720578732378406
Energy: 0.5295824843117752
Energy: 0.5897288322084465
Energy: 0.5717921683243641
Energy: 0.5296552027709275
Energy: 0.5792026178946373
Energy: 0.5285701973368113
Energy: 0.5291682540795201
Energy: 0.5788303862566294
Energy: 0.6099530177244749
Energy: 0.5290087237766329
Energy: 0.5817694936901964
Energy: 0.6099189887246834
Energy: 0.6488553876010587
Energy: 0.5708962360122463
Energy: 0.5709061896274185
Energy: 0.6494932253089881
Energy: 0.5520633428061038
Energy: 0.562220139019478
Energy: 0.5606973784506014
Energy: 0.570835410402859
Energy: 0.5569145753879183
Energy: 0.5606480503754702
Energy: 0.5715086336531515
Energy: 0.5888664629963032
Energy: 0.5752843892975045
Energy: 0.5291930525136127
Energy: 0.5504786224291605
Energy: 0.5755857589361452
Energy: 0.5432171686702876
Energy: 0.587527054187802
Energy: 0.5708190532098222
Energy: 0.5295689806708498
Energy: 0.5624693676127684
Energy: 0.5716443574124431
Energy: 0.5293420338578408
Energy: 0.5712922656701146
Energy: 0.5415177980417772
Energy: 0.5711801826185299
Energy: 0.5708332923168238
Energy: 0.5415209899712335
Energy: 0.5725556726520608
Energy: 0.559294523237725
Energy: 0.5399716887999311
Energy: 0.5712736458023293
Energy: 0.605338249001659
Energy: 0.5398675360745013
Energy: 0.5759586751174771
Energy: 0.570531534254634
Energy: 0.571008175639149
Energy: 0.5567093753840647
Energy: 0.584783829152138
Energy: 0.5710450697646438
Energy: 0.5566075739699964
Energy: 0.5831087273989047
Energy: 0.5710271915305768
Energy: 0.5816893206924423
Energy: 0.5639999739680919
Energy: 0.5710384657166688
Energy: 0.5763120727054152
Energy: 0.5627156749664108
Energy: 0.5786713963023493
Energy: 0.5292018964911784
Energy: 0.6101223919545653
Energy: 0.5798196072930005
Energy: 0.529147768427479
Energy: 0.6100176907351681
Energy: 0.5782474375449822
Energy: 0.5290158976271934
Energy: 0.5287744610973071
Energy: 0.5781749303255845
Energy: 0.5303911061760356
Energy: 0.5289586266093551
Energy: 0.5781235063270387
Energy: 0.5290502115771336
Energy: 0.5785794757855681
Energy: 0.5792356983885543
Energy: 0.5286655526750137
Energy: 0.5730124092365937
Energy: 0.6058848874236542
Energy: 0.5817573337830163
Energy: 0.5775841170271538
Energy: 0.606068190619623
Energy: 0.5680502451201211
Energy: 0.5768854715520988
Energy: 0.606543887711338
Energy: 0.5406451379560774
Energy: 0.5564053722270161
Energy: 0.6067596390757234
Energy: 0.5407541754831052
Energy: 0.5875775709983841
Energy: 0.5298842031338202
Energy: 0.54267389147478
Energy: 0.5866353022668639
Energy: 0.5298825594387805
Energy: 0.5511462415015906
Energy: 0.5939991870969523

minimum gb energy = 0.528235311367523 eV
minimum distance =  2.55106220865617 Angstroms
sigma value = 57


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

Energy: 0.7317253177101476
Energy: 0.5105139432396205
Energy: 0.5142821079109691
Energy: 0.7328066038406129
Energy: 0.5104402779591317
Energy: 0.5153228582832138
Energy: 0.5341875341855313
Energy: 0.5343333581853977
Energy: 0.5113148614926455
Energy: 0.5342514493690366
Energy: 0.5341041072269401
Energy: 0.510154499678389
Energy: 0.5341158220173224
Energy: 0.5074118181412248
Energy: 0.5280267587963607
Energy: 0.53484363562521
Energy: 0.515826850104161
Energy: 0.5112687128942152
Energy: 0.5108986785857775
Energy: 0.511464598300081
Energy: 0.5146103335765708
Energy: 0.5116103054922815
Energy: 0.516015247036759
Energy: 0.5116557391041576
Energy: 0.5213429560020209
Energy: 0.5336573551016514
Energy: 0.5115891547045188
Energy: 0.5205114832269164
Energy: 0.5357237952429935
Energy: 0.510765872357849
Energy: 0.5203970694213506
Energy: 0.5230318953869819
Energy: 0.5211489933796066
Energy: 0.5202425427208858
Energy: 0.5229523790494975
Energy: 0.5364892171830559
Energy: 0.512449605338526
Energy: 0.5142192269684078
Energy: 0.5202300573261183
Energy: 0.5107808722781021
Energy: 0.5142025237941641
Energy: 0.5116897353647717
Energy: 0.5358449669338319
Energy: 0.520060970371489
Energy: 0.5107088678356623
Energy: 0.5367453362500966
Energy: 0.5214558992891398
Energy: 0.511019761898579
Energy: 0.4985274344553458
Energy: 0.511545098452097
Energy: 0.5141067759431608
Energy: 0.49850341460254094
Energy: 0.5137752743846667
Energy: 0.5141540935356352
Energy: 0.4983602937092664
Energy: 0.534311640749736
Energy: 0.5141777750550052
Energy: 0.49831115433553075
Energy: 0.5353243707405998
Energy: 0.5141791993493878
Energy: 0.5356425819888885
Energy: 0.5213843737564268
Energy: 0.5144465894671786
Energy: 0.5365145376881578
Energy: 0.5339922733331417
Energy: 0.510968276136996
Energy: 0.5115735892846935
Energy: 0.6247768501724653
Energy: 0.5377958835165227
Energy: 0.5118684260902749
Energy: 0.6238903768064217
Energy: 0.511238414847746
Energy: 0.514580255981809
Energy: 0.5344742216711666
Energy: 0.510997187898642
Energy: 0.5101932349395978
Energy: 0.533776580958606
Energy: 0.5107964634612284
Energy: 0.6288776763735033
Energy: 0.5346365729690098
Energy: 0.534910570978336
Energy: 0.6299011937611964
Energy: 0.5355133529079912
Energy: 0.5126032492209152
Energy: 0.5212535869861237
Energy: 0.5140880728555794
Energy: 0.5107442407065098
Energy: 0.5206021341270072
Energy: 0.5166559974238265
Energy: 0.531481877610432
Energy: 0.534152853010882
Energy: 0.5143087664519436
Energy: 0.5136667094872494
Energy: 0.5349512166298221
Energy: 0.516505737846968
Energy: 0.5123245409067124
Energy: 0.4984404506391311
Energy: 0.5101702438318165
Energy: 0.5111842466011124
Energy: 0.49838191947374433
Energy: 0.5128982290357248
Energy: 0.523007462244235

minimum gb energy = 0.49831115433553075 eV
minimum distance =  2.60135590692819 Angstroms
sigma value = 9


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

Energy: 0.8439714523731022
Energy: 0.5805711702267217
Energy: 0.5710758585998077
Energy: 0.8331675531633809
Energy: 0.6354223799553342
Energy: 0.5691774414748001
Energy: 0.5868232497795656
Energy: 0.5722379762084843
Energy: 0.5758066995301434
Energy: 0.5868403790556823
Energy: 0.5702206824467347
Energy: 0.5638079310373058
Energy: 0.5899913141353901
Energy: 0.5673696980216233
Energy: 0.5697112433822776
Energy: 0.5882668837769713
Energy: 0.6197655109877824
Energy: 0.5657164032702691
Energy: 0.561559349993913
Energy: 0.5639155067328611
Energy: 0.562768968911932
Energy: 0.5621371986015953
Energy: 0.5684689101805591
Energy: 0.562673423103322
Energy: 0.5732931196908267
Energy: 0.5682588420875007
Energy: 0.5626545482771521
Energy: 0.5721771782214105
Energy: 0.5692131155366152
Energy: 0.5697604787231677
Energy: 0.5598569849621932
Energy: 0.5650128468627046
Energy: 0.560728884428869
Energy: 0.5607947940778125
Energy: 0.5624079656855833
Energy: 0.5602254253222413
Energy: 0.5617066558050644
Energy: 0.6171838265757319
Energy: 0.5632994261965499
Energy: 0.5618896469839573
Energy: 0.6628579734922562
Energy: 0.5613522344468623
Energy: 0.5598068187282271
Energy: 0.5631499738820883
Energy: 0.5607649307729982
Energy: 0.5607259985402503
Energy: 0.5513992028721799
Energy: 0.5611000501610491
Energy: 0.5677715092402315
Energy: 0.5599707818187233
Energy: 0.5659175868475704
Energy: 0.5679855955965066
Energy: 0.5597929396516819
Energy: 0.5694446828960751
Energy: 0.5673734734343973
Energy: 0.5605961638491664
Energy: 0.5723378159299707
Energy: 0.569457574996253
Energy: 0.559941952175549
Energy: 0.5634257230262237
Energy: 0.560245956522103
Energy: 0.5622797097288202
Energy: 0.5601445725075068
Energy: 0.5608202836826502
Energy: 0.5632489076064463
Energy: 0.5618352172460233
Energy: 0.5694980433542314
Energy: 0.5733328786147316
Energy: 0.5709576212185461
Energy: 0.5704653815581009
Energy: 0.5716404451339717
Energy: 0.5763145424610501
Energy: 0.6649482758730257
Energy: 0.5594589491763591
Energy: 0.5634307417772824
Energy: 0.6649571237345083
Energy: 0.5607283969607751
Energy: 0.5592823840118623
Energy: 0.5852102508837058
Energy: 0.5810307697269369
Energy: 0.5680720940445351
Energy: 0.585311157738453
Energy: 0.5870491851904205
Energy: 0.5626241888106598
Energy: 0.5685288843665797
Energy: 0.5599688121209307
Energy: 0.5608590197136819
Energy: 0.5696177491077423
Energy: 0.5603313358126396
Energy: 0.5681266314135907
Energy: 0.5738000629132445
Energy: 0.5627029978708298
Energy: 0.559192351323508
Energy: 0.5669790900234403
Energy: 0.5818579495425459
Energy: 0.5589375952729768
Energy: 0.573227650153634
Energy: 0.5734037643817337
Energy: 0.5631660352685391
Energy: 0.5736241603190004
Energy: 0.5882116463630734
Energy: 0.563033456970445
Energy: 0.6221149680117645
Energy: 0.5713178240857975
Energy: 0.5672648724522057
Energy: 0.6201391274486318
Energy: 0.5684900905624131
Energy: 0.5746244224599412
Energy: 0.5710770189016409
Energy: 0.5644663564208753
Energy: 0.56376380656194
Energy: 0.5715418142349519
Energy: 0.5783515843754893
Energy: 0.5638166377613485
Energy: 0.5865804064815952
Energy: 0.5717236442869083
Energy: 0.5634266614980491
Energy: 0.5870971143726337
Energy: 0.583936348110191
Energy: 0.5633594949059512
Energy: 0.5506502530580378
Energy: 0.5765929898056997
Energy: 0.5741222058666465
Energy: 0.5506565827710874
Energy: 0.5694869791694267
Energy: 0.5742872018264676

minimum gb energy = 0.5506502530580378 eV
minimum distance =  2.56371132958332 Angstroms
sigma value = 27


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

Energy: 0.7578378758564314
Energy: 0.7859376904343615
Energy: 0.5732345763351716
Energy: 0.7045946125755482
Energy: 0.6458961792913547
Energy: 0.5929104940665871
Energy: 0.6590767915709714
Energy: 0.621538687547558
Energy: 0.6162004333888766
Energy: 0.610069147731052
Energy: 0.6263880328602185
Energy: 0.6402557620017038
Energy: 0.619347522826539
Energy: 0.6214074748521579
Energy: 0.6136254324743247
Energy: 0.5679171266408489
Energy: 0.5634099328919259
Energy: 0.6389823623954342
Energy: 0.618033762305707
Energy: 0.6251855575699379
Energy: 0.6213191862354948
Energy: 0.6036818313826174
Energy: 0.6686326346837022
Energy: 0.6146530693276752
Energy: 0.5645717268235637
Energy: 0.6129637300912468
Energy: 0.6318570710618829
Energy: 0.5652857793511857
Energy: 0.6193337357655099
Energy: 0.6310413529298518
Energy: 0.6209129568904216
Energy: 0.6106054218425275
Energy: 0.6248852169274101
Energy: 0.617538007290894
Energy: 0.6346670044988278
Energy: 0.6327300374956447
Energy: 0.6552616937019441
Energy: 0.6542411448954903
Energy: 0.5908940994093765
Energy: 0.641956773568008
Energy: 0.65447215959699
Energy: 0.5835145044014511
Energy: 0.6190934093304211
Energy: 0.5974331512417732
Energy: 0.6182225826312463
Energy: 0.6192462288525297
Energy: 0.5761312238392825
Energy: 0.609243012358196
Energy: 0.6220026826594032
Energy: 0.6089098580029887
Energy: 0.6143766513769027
Energy: 0.6105868824859018
Energy: 0.6094546057093457
Energy: 0.6010793264413059
Energy: 0.6243286619970005
Energy: 0.5878701507339472
Energy: 0.5891545172747626
Energy: 0.6207479771160354
Energy: 0.588157968794591
Energy: 0.6082460745773326
Energy: 0.6292063006855672
Energy: 0.6047255623460176
Energy: 0.6092627627045569
Energy: 0.63123148224278
Energy: 0.5632121736067087
Energy: 0.6092132515419869
Energy: 0.5894234172932811
Energy: 0.5643894364378436
Energy: 0.5787231492627695
Energy: 0.5903671809937133
Energy: 0.563851598772944
Energy: 0.5956302901698953
Energy: 0.6244703273255097
Energy: 0.5997996579522717
Energy: 0.5991392950793825
Energy: 0.6215902862297793
Energy: 0.6001261054748757
Energy: 0.6087731971224682
Energy: 0.608816962067053
Energy: 0.6016431894888427
Energy: 0.6021003575053249
Energy: 0.609442597121098
Energy: 0.6146308833377127
Energy: 0.6034404659558049
Energy: 0.5906342768990351
Energy: 0.5782849000781705
Energy: 0.5770576487288764
Energy: 0.5909573936290883
Energy: 0.5848876462135499
Energy: 0.5766278631479977
Energy: 0.611411102248303
Energy: 0.5919006444132124
Energy: 0.5997774590727378
Energy: 0.6059131822330198
Energy: 0.5915943975663759
Energy: 0.6001624861956222
Energy: 0.5651612466773598
Energy: 0.5956090014088998
Energy: 0.5960969881567773
Energy: 0.5656141603016931
Energy: 0.6086496833182433
Energy: 0.595643297412336
Energy: 0.5959555194988214
Energy: 0.6117846277753984
Energy: 0.6146037659889781
Energy: 0.5971724283108136
Energy: 0.6095769999427527
Energy: 0.5981694042115863
Energy: 0.6021128894885678
Energy: 0.5995040983329339
Energy: 0.5950482515748772
Energy: 0.6025173524359213
Energy: 0.5860361491184003
Energy: 0.5801410389688343
Energy: 0.6370728439051913
Energy: 0.5917990160682245
Energy: 0.5967563211365331
Energy: 0.6160051865045685
Energy: 0.587168147200101
Energy: 0.579772624634312
Energy: 0.6488114533621588
Energy: 0.6217824517591262
Energy: 0.6232539753375641
Energy: 0.6402333832540892
Energy: 0.6098061141089841
Energy: 0.6247056160020551
Energy: 0.5618466005095685
Energy: 0.6166509451446741
Energy: 0.6539159019663944
Energy: 0.5625960610530333
Energy: 0.6142693958465075
Energy: 0.5906979038658912
Energy: 0.635918668514199
Energy: 0.6186290171151995
Energy: 0.6221786081412713
Energy: 0.6394689685277507
Energy: 0.6190077404787357
Energy: 0.6184766776633808
Energy: 0.6581645468037082
Energy: 0.6148522854181554
Energy: 0.5692139716164658
Energy: 0.6075117738184467
Energy: 0.6040192659079927
Energy: 0.6217777794302918
Energy: 0.5943014458875403
Energy: 0.6078509851606607
Energy: 0.6169023729034876
Energy: 0.5664940285349025
Energy: 0.6062786295829864
Energy: 0.5955227339953097

minimum gb energy = 0.5618466005095685 eV
minimum distance =  2.51895324994878 Angstroms
sigma value = 19


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

Energy: 0.8034111537291432
Energy: 0.6071473264638294
Energy: 0.6031989011796901
Energy: 0.54655266124136
Energy: 0.6300831748208969
Energy: 0.6090561111992397
Energy: 0.6297853260640754
Energy: 0.5743501773415375
Energy: 0.5731167948939666
Energy: 0.6291201399529751
Energy: 0.5741303232091836
Energy: 0.5865345303311545
Energy: 0.5771285012344599
Energy: 0.5406970287054167
Energy: 0.5407740053859699
Energy: 0.5771763894355624
Energy: 0.5409067904859591
Energy: 0.5902654494346818
Energy: 0.5732614014355626
Energy: 0.5865601773180459
Energy: 0.5871040341985254
Energy: 0.5725901039495965
Energy: 0.5746256738194524
Energy: 0.5866821631061955
Energy: 0.5474271051467262
Energy: 0.5773791601812075
Energy: 0.577023452573564
Energy: 0.5485689142867654
Energy: 0.5773406067536393
Energy: 0.5407126843195503
Energy: 0.5730724211063691
Energy: 0.5881479350581347
Energy: 0.5872881102322002
Energy: 0.5734682040227123
Energy: 0.6013727557220132
Energy: 0.5872644669960041
Energy: 0.5706938112346917
Energy: 0.57561432986368
Energy: 0.5887426225729417
Energy: 0.5706422706415805
Energy: 0.5669900580038055
Energy: 0.5660990406416737
Energy: 0.5732698330540681
Energy: 0.5820747387312325
Energy: 0.5867119567443795
Energy: 0.5740084156037583
Energy: 0.5750139031603345
Energy: 0.5747854801635939
Energy: 0.5409989619570064
Energy: 0.5774372063550325
Energy: 0.5810758307963838
Energy: 0.5409339943615454
Energy: 0.5773313888190206
Energy: 0.5860668065755668
Energy: 0.54050561138193
Energy: 0.573583033196693
Energy: 0.5829137749768399
Energy: 0.5406256946728603
Energy: 0.5738903468303694
Energy: 0.5839629862484553
Energy: 0.5670622073321225
Energy: 0.5315324717873865
Energy: 0.5316351408278381
Energy: 0.5670650114129365
Energy: 0.5337981929762073
Energy: 0.5715573464078504
Energy: 0.5917610697338316
Energy: 0.5742806502430478
Energy: 0.5837136753797456
Energy: 0.5927723575896413
Energy: 0.5653347578611794
Energy: 0.5815366158391617
Energy: 0.6493210789826638
Energy: 0.5772986620828146
Energy: 0.5687045645378687
Energy: 0.5506142014877476
Energy: 0.5773191778369184
Energy: 0.5688194390402294
Energy: 0.5732250536984085
Energy: 0.5722999706107277
Energy: 0.5735992230698593
Energy: 0.5732911573218517
Energy: 0.571617652094238
Energy: 0.574717607351673
Energy: 0.5771339408537586
Energy: 0.5311619981148699
Energy: 0.5682673474645019
Energy: 0.5771482389097891
Energy: 0.5308806472153094
Energy: 0.5695700025272078
Energy: 0.5772570177473448
Energy: 0.5432687741251027
Energy: 0.5784324417061937
Energy: 0.5782990656758706
Energy: 0.5312350264904759
Energy: 0.5761114979885916
Energy: 0.6655269860501528
Energy: 0.564879650184524
Energy: 0.5658724626940641
Energy: 0.5325108149732193
Energy: 0.5647037283423166
Energy: 0.5688545148025161
Energy: 0.5833388152688723
Energy: 0.5701087809304269
Energy: 0.5707621347928127
Energy: 0.5838566915746882
Energy: 0.5776896959582796
Energy: 0.5721960811387686
Energy: 0.5776581962351257
Energy: 0.5303035688671379
Energy: 0.5753215233671666
Energy: 0.577604802579497
Energy: 0.5300360639885984
Energy: 0.569710238716708
Energy: 0.5656181884875591
Energy: 0.5640873454782088
Energy: 0.5781850909815631
Energy: 0.5662990685625472
Energy: 0.5303790094372669
Energy: 0.5698110343046987
Energy: 0.5347917463046732
Energy: 0.5768012896131869
Energy: 0.5706044092392676
Energy: 0.5355087608003523
Energy: 0.5774149911319002
Energy: 0.5749656232358392
Energy: 0.5426103287266806
Energy: 0.5849490406333809
Energy: 0.5799516659011887
Energy: 0.5430808658258768
Energy: 0.5937499686892843
Energy: 0.5765991522607206
Energy: 0.5700346071161174
Energy: 0.5274957791050005
Energy: 0.5714452705427971
Energy: 0.5701242293765997
Energy: 0.5273618928008357
Energy: 0.5679724432930887
Energy: 0.5734619065181145
Energy: 0.5615917231666538
Energy: 0.5701432597860147
Energy: 0.5734654126395112
Energy: 0.5274480152824327
Energy: 0.5683013318319146
Energy: 0.58339350405739
Energy: 0.5783192540334137
Energy: 0.5794463325482379
Energy: 0.5867138471524946
Energy: 0.5922054365702287
Energy: 0.5790977935498062
Energy: 0.5622660247151554
Energy: 0.5670526019375761
Energy: 0.5704781327101484
Energy: 0.5394421210662741
Energy: 0.5671565037875917
Energy: 0.5747801837539517
Energy: 0.5737736481812846
Energy: 0.5412120057387041
Energy: 0.5901520731375656
Energy: 0.574827685319385
Energy: 0.5404332451247484
Energy: 0.5742465037931841
Energy: 0.5741463330090434
Energy: 0.5404892656863608
Energy: 0.581897836208201
Energy: 0.5739464797696966
Energy: 0.5564231843542486
Energy: 0.5827701129762435
Energy: 0.5947095149506706
Energy: 0.5729014499891886
Energy: 0.5744468574597643
Energy: 0.5656252288923119
Energy: 0.5727897645542867
Energy: 0.5682762055672572

minimum gb energy = 0.5273618928008357 eV
minimum distance =  2.55677283958482 Angstroms
sigma value = 101


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

Energy: 0.7598827456594015
Energy: 0.8994702296209665
Energy: 0.7322688655288041
Energy: 0.7609984305876719
Energy: 0.8945383013325255
Energy: 0.4990528879298505
Energy: 0.6231226558635123
Energy: 0.5680324488594727
Energy: 0.5740023046805566
Energy: 0.5867802168228217
Energy: 0.5634801312903763
Energy: 0.5720432257049423
Energy: 0.57209951309211
Energy: 0.5101191394922204
Energy: 0.5100794292651479
Energy: 0.5720525385792101
Energy: 0.5112543404102972
Energy: 0.5568849568038059
Energy: 0.5628323835937017
Energy: 0.5728518346792599
Energy: 0.5732077226715703
Energy: 0.5635607070186665
Energy: 0.5657381150413492
Energy: 0.5726236658751535
Energy: 0.5183894739783049
Energy: 0.5725367102089826
Energy: 0.5704130102978275
Energy: 0.5197083131393028
Energy: 0.5733917249587719
Energy: 0.5179848601170548
Energy: 0.5426272646930973
Energy: 0.572466481026421
Energy: 0.5725626162184426
Energy: 0.5429867367489621
Energy: 0.5865055487551948
Energy: 0.5733769671429585
Energy: 0.5694959359027109
Energy: 0.5448975204574646
Energy: 0.5230262330991294
Energy: 0.5696954484620583
Energy: 0.5440287518341516
Energy: 0.5338911816215298
Energy: 0.5622592584011809
Energy: 0.5720110370061599
Energy: 0.5726830568744956
Energy: 0.5629603013063863
Energy: 0.5657377549754921
Energy: 0.5635970364704926
Energy: 0.5111807592618988
Energy: 0.5717991675929966
Energy: 0.5439888341694352
Energy: 0.5118557625270612
Energy: 0.5719469539729768
Energy: 0.5100572249533888
Energy: 0.5103698458512452
Energy: 0.5728135438517925
Energy: 0.5755504898777145
Energy: 0.5101918464648044
Energy: 0.5736560827735946
Energy: 0.5759540333756556
Energy: 0.5622471761646466
Energy: 0.497557886718971
Energy: 0.4976800430557137
Energy: 0.5622725439850562
Energy: 0.7456498904252246
Energy: 0.5586550361018813
Energy: 0.5720902879779163
Energy: 0.575217226852196
Energy: 0.5769359117286329
Energy: 0.5729081337904132
Energy: 0.5513512768507305
Energy: 0.5744818390907453
Energy: 0.6140949733694195
Energy: 0.5719788755772609
Energy: 0.5723065699325575
Energy: 0.6141539602740124
Energy: 0.5730736832343978
Energy: 0.570200683983147
Energy: 0.5465939614690979
Energy: 0.5623743750705241
Energy: 0.5720045202069595
Energy: 0.5771502870985733
Energy: 0.56349870846366
Energy: 0.5705544674466945
Energy: 0.5721082372904505
Energy: 0.5107705419535565
Energy: 0.5098678816286313
Energy: 0.5729112665077689
Energy: 0.5116836846280772
Energy: 0.5663552134474832
Energy: 0.5861732171551566
Energy: 0.5219204957406313
Energy: 0.5626806870316619
Energy: 0.5860419194454978
Energy: 0.5112135424374215
Energy: 0.5733201713385133
Energy: 0.7098712473641968
Energy: 0.5630063050806934
Energy: 0.5658593331616992
Energy: 0.7114442084998511
Energy: 0.5624789746606942
Energy: 0.5427726857520072
Energy: 0.5774617160367546
Energy: 0.5624142320906513
Energy: 0.5658846411704104
Energy: 0.577432099041831
Energy: 0.5623252643561236
Energy: 0.5727220323213893
Energy: 0.5722402256769296
Energy: 0.5098978023536542
Energy: 0.5099428075325736
Energy: 0.5722345831294052
Energy: 0.50983338968949
Energy: 0.5634196614800636
Energy: 0.5617748622459177
Energy: 0.509580909809341
Energy: 0.5728291765935685
Energy: 0.562586825810302
Energy: 0.5098663792920121
Energy: 0.5738817035016797
Energy: 0.5199671686938747
Energy: 0.5625816581174974
Energy: 0.5657115145992108
Energy: 0.5210467749274094
Energy: 0.5622515815520678
Energy: 0.5185539536901999
Energy: 0.540026444339402
Energy: 0.5745325401115348
Energy: 0.5740959488058258
Energy: 0.5410501168094569
Energy: 0.5873550900617793
Energy: 0.572638592896287
Energy: 0.5626554351921379
Energy: 0.5465174224739566
Energy: 0.5463614030306055
Energy: 0.5623985923171202
Energy: 0.5479973600124082
Energy: 0.5664560677702822
Energy: 0.5631475284521446
Energy: 0.5727672420281263
Energy: 0.5704709067178386
Energy: 0.5624148682093694
Energy: 0.547534276695412
Energy: 0.5661405896698432
Energy: 0.5239070863278077
Energy: 0.582768166477032
Energy: 0.5738635235367563
Energy: 0.5144984121578511
Energy: 0.5863665399617107
Energy: 0.565104953529547
Energy: 0.511068145307858
Energy: 0.5709521418440904
Energy: 0.5725014735907218
Energy: 0.5116753405774048
Energy: 0.5741633181497323
Energy: 0.5758282257862819
Energy: 0.5635783574518776
Energy: 0.4974273454682766
Energy: 0.5681034551871263
Energy: 0.5622069251025471
Energy: 0.5008174917595943
Energy: 0.5666417422740584
Energy: 0.5743771877043549
Energy: 0.49778208036102434
Energy: 0.5694320583848868
Energy: 0.5723679888129498
Energy: 0.49745031700697934
Energy: 0.5698379820129245
Energy: 0.5471446084422561
Energy: 0.5723733898088109
Energy: 0.570861341376502
Energy: 0.5081595301947794
Energy: 0.5721418010608399
Energy: 0.570168187998315
Energy: 0.5462622013010169
Energy: 0.5618059713946485
Energy: 0.5638049987507415
Energy: 0.5085577156400594
Energy: 0.5631835495549252
Energy: 0.5702429774151686
Energy: 0.5733148607870798
Energy: 0.5098539364512034
Energy: 0.5107877722163282
Energy: 0.5742663900092064
Energy: 0.509781378202003
Energy: 0.5742052643330369
Energy: 0.587571178888305
Energy: 0.5215811153303709
Energy: 0.5432731978877574
Energy: 0.5876121529533355
Energy: 0.5221783717197934
Energy: 0.5652604719969794
Energy: 0.5701169793847075
Energy: 0.5623488928543418
Energy: 0.5678921379272294
Energy: 0.4966681045391463
Energy: 0.5622500306440147
Energy: 0.570950911693201

minimum gb energy = 0.4966681045391463 eV
minimum distance =  2.56941899114838 Angstroms
sigma value = 33


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

Energy: 0.011713306651616602
Energy: 0.5191799625712976
Energy: 0.013034970679186821
Energy: 0.013135538932984912
Energy: 0.5183199378977575
Energy: 0.012147753475329115
Energy: 0.23911725828071334
Energy: 0.06347512400676464
Energy: 0.062067301981467385
Energy: 0.061529252119687114
Energy: 0.06149775000622442
Energy: 0.06184588399860996
Energy: 0.6932115163831917
Energy: 0.5206457402441801
Energy: 0.5185747114583306
Energy: 0.5184327076832318
Energy: 0.5182718016967743
Energy: 0.5185743394512117
Energy: 0.01358882663199364
Energy: 0.06347512400676464
Energy: 0.062067301981467385
Energy: 0.061529252119352514
Energy: 0.06149775000587013
Energy: 0.06184588399827537

minimum gb energy = 0.011713306651616602 eV
minimum distance =  2.82305278721414 Angstroms
sigma value = 1