Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_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=4.044650763273239
cohesive_energy=3.360264280667937
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, 4.50112299202692e-19, 4.641089142773159e-19, 4.76429652592776e-19, 4.872683775217859e-19, 4.959409596416279e-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: 0.010353198435435642
Energy: 0.011064762223456955
Energy: 0.01091477494525495
Energy: 0.012019449279511376
Energy: 0.2679304177597207
Energy: 0.010818093947045769
Energy: 0.011064762223456955
Energy: 0.04968133991546422
Energy: 0.04976173606028292
Energy: 0.04982676965516911
Energy: 0.049650421729930456
Energy: 0.049741475506868325
Energy: 0.010914774945032265
Energy: 0.04976173606028292
Energy: 0.051555200448199986
Energy: 0.011187578261229307
Energy: 0.049783529170162065
Energy: 0.05103000678938362
Energy: 0.012019449279761894
Energy: 0.04982676965491859
Energy: 0.011187578261479827
Energy: 0.010557219261735888
Energy: 0.04989242198254273
Energy: 0.011973140381339523
Energy: 0.2679304171762602
Energy: 0.049650421729930456
Energy: 0.049783529170162065
Energy: 0.04989242198254273
Energy: 0.049672408011350935
Energy: 0.04987035419430179
Energy: 0.01081809394729629
Energy: 0.04974147550736936
Energy: 0.051030006789160934
Energy: 0.011973140381339523
Energy: 0.04987035419455231
Energy: 0.010830763840850481

minimum gb energy = 0.010353198435435642 eV
minimum distance =  2.85320117603828 Angstroms
sigma value = 1


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

Energy: 0.7544830809139071
Energy: 0.5722212459349711
Energy: 0.5545949084225488
Energy: 0.5636405956502748
Energy: 0.5841573518243313
Energy: 0.5549852229000737
Energy: 0.7461360329565226
Energy: 0.5309469484751973
Energy: 0.5309282499399259
Energy: 0.5530396084544646
Energy: 0.5310885225028205
Energy: 0.53066827101423
Energy: 0.7645899104398108
Energy: 0.5308349309692905
Energy: 0.5310861030594796
Energy: 0.5438355424883885
Energy: 0.5308319665935554
Energy: 0.5307553356444085
Energy: 0.7722899515008854
Energy: 0.5308916889301338
Energy: 0.5399585688195362
Energy: 0.5428197577944964
Energy: 0.5310142535246668
Energy: 0.537640499260787
Energy: 0.7201207304497426
Energy: 0.5351002867405673
Energy: 0.5451284832375152
Energy: 0.5590772904890229
Energy: 0.5324469595886845
Energy: 0.5550849828430093
Energy: 0.7115062197586727
Energy: 0.553540657736863
Energy: 0.5573512667927937
Energy: 0.556389228550284
Energy: 0.5515762412115194
Energy: 0.5584695975247899
Energy: 0.7138447575954334
Energy: 0.5579367372194702
Energy: 0.5579156842899425
Energy: 0.5618624408124377
Energy: 0.5709156198460803
Energy: 0.5598980024802891
Energy: 0.6834834388738245
Energy: 0.560717773864048
Energy: 0.5553741538252144
Energy: 0.5572559599957985
Energy: 0.5450999096926699
Energy: 0.556665056358378
Energy: 0.6146110137351065
Energy: 0.5596443362902281
Energy: 0.5581576065661153
Energy: 0.553138941365187
Energy: 0.5639995431296753
Energy: 0.556224048865423
Energy: 0.6153628302112122
Energy: 0.5538897022689708
Energy: 0.5411237932149472
Energy: 0.5332522391351293
Energy: 0.5534284370934774
Energy: 0.5307194394694212
Energy: 0.5888407576979439
Energy: 0.5475223283390747
Energy: 0.5476198509663592
Energy: 0.6319091340592035
Energy: 0.54350542789828
Energy: 0.5308115317981115
Energy: 0.5327578591714826
Energy: 0.5427308044324585
Energy: 0.5305874459501772
Energy: 0.5326984573323299
Energy: 0.5159394686938218
Energy: 0.5308274162807055
Energy: 0.5309095670909892
Energy: 0.5336013354368235
Energy: 0.5309120208291815
Energy: 0.5309270525511036
Energy: 0.5349790479337374
Energy: 0.5310061079212344
Energy: 0.559448357557412
Energy: 0.5433810521013437
Energy: 0.5411367282866681
Energy: 0.5309491571181163
Energy: 0.5390738720648336
Energy: 0.5311066960932381
Energy: 0.5608448833053322
Energy: 0.5336949349121235
Energy: 0.5309894629352953
Energy: 0.5330909060337276
Energy: 0.5610505082423638
Energy: 0.5310875673587955
Energy: 0.5613716582568921
Energy: 0.5440622392716136
Energy: 0.5444525324884334
Energy: 0.5481792229256464
Energy: 0.5508915492040245
Energy: 0.5443104040740848
Energy: 0.6692776509513348
Energy: 0.5525774828429391
Energy: 0.5557912421931835
Energy: 0.5443910501925914
Energy: 0.5540225603234373
Energy: 0.5447704386647377
Energy: 0.66555123323891
Energy: 0.5621406329507495
Energy: 0.5581346504822657
Energy: 0.5426366056120899
Energy: 0.5581485736476912
Energy: 0.559900975403231
Energy: 0.6593545939158232
Energy: 0.5570064944166381
Energy: 0.5590481456315858
Energy: 0.5538304862143744
Energy: 0.5495925246352505
Energy: 0.5584523388112292
Energy: 0.6788919280573047
Energy: 0.5418227995623905
Energy: 0.5598280806986127
Energy: 0.5546742920891417
Energy: 0.5446236910820088
Energy: 0.5578657662101328
Energy: 0.7448714630237827
Energy: 0.5435334779493578
Energy: 0.5476533389842647
Energy: 0.5476680249812585
Energy: 0.5430647715103647
Energy: 0.538975444151034
Energy: 0.7338517509265825
Energy: 0.5462101153571493
Energy: 0.5443454715010402
Energy: 0.559453408815002
Energy: 0.5460807253750112
Energy: 0.5443047519418363
Energy: 0.7457616806400517
Energy: 0.5310224811076277
Energy: 0.5307971003107301
Energy: 0.5475677408300176
Energy: 0.5310468257016866
Energy: 0.5306564732433888

minimum gb energy = 0.5159394686938218 eV
minimum distance =  2.6467461651921 Angstroms
sigma value = 33


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

Energy: 1.0474641672011944
Energy: 0.5805764723770644
Energy: 0.5640785935790597
Energy: 0.5643822555413716
Energy: 0.5556632913829194
Energy: 0.5801466736475849
Energy: 0.693858553915141
Energy: 0.5531871587979922
Energy: 0.5531873981138131
Energy: 0.562744957952167
Energy: 0.5531002651743968
Energy: 0.5766468491274634
Energy: 0.6971066062976317
Energy: 0.576008016332818
Energy: 0.5622318096475662
Energy: 0.5606693490593434
Energy: 0.5630831546028088
Energy: 0.5743679043340849
Energy: 0.744852512830413
Energy: 0.5662439376781478
Energy: 0.5679458459513181
Energy: 0.5669831540086387
Energy: 0.5922694595445595
Energy: 0.5669565246496355
Energy: 0.6954142673250048
Energy: 0.5809695234224594
Energy: 0.5842581444651224
Energy: 0.5757216384599808
Energy: 0.5814641639452087
Energy: 0.5634670898321199
Energy: 0.7324636883740335
Energy: 0.5819629638012498
Energy: 0.5829211335497231
Energy: 0.5835529021989274
Energy: 0.5793065714556312
Energy: 0.5880712900297301
Energy: 0.7334806971626935
Energy: 0.5711631288117873
Energy: 0.5828520641572853
Energy: 0.5802828444373531
Energy: 0.5731071649903867
Energy: 0.5836789879932097
Energy: 0.6889919633443923
Energy: 0.5724582058179013
Energy: 0.5712161690298467
Energy: 0.5915970126913188
Energy: 0.5657745521168561
Energy: 0.569625072144685
Energy: 0.6324748045269757
Energy: 0.576770100083936
Energy: 0.5784807306732838
Energy: 0.5714060245709526
Energy: 0.574083318206745
Energy: 0.5766681450571841
Energy: 0.6310634269502498
Energy: 0.5687014505080925
Energy: 0.5579657695349186
Energy: 0.557154612226317
Energy: 0.565728496662468
Energy: 0.5571977218838663
Energy: 0.6218725272669555
Energy: 0.5296637256948056
Energy: 0.5294134964630179
Energy: 0.6209521554964309
Energy: 0.5297450235128475
Energy: 0.5294750728698021
Energy: 0.5712023984062312
Energy: 0.5297174468023287
Energy: 0.5569102990984657
Energy: 0.5561744762324535
Energy: 0.5436548740588546
Energy: 0.5568466110733115
Energy: 0.570687967034465
Energy: 0.5689612739363723
Energy: 0.5557526809168944
Energy: 0.5652787310476463
Energy: 0.5743086109888522
Energy: 0.5566720360030716
Energy: 0.6276759353995898
Energy: 0.5654816976048241
Energy: 0.5648124564256409
Energy: 0.5600247365061394
Energy: 0.5661864660070154
Energy: 0.5780419662228441
Energy: 0.6190550737029742
Energy: 0.5714948502963045
Energy: 0.5555668804225996
Energy: 0.5645313734071437
Energy: 0.582607960130931
Energy: 0.5549486116616803
Energy: 0.6178297986717337
Energy: 0.5899752031940168
Energy: 0.5885884710592695
Energy: 0.5710856487665034
Energy: 0.5891752149445887
Energy: 0.5829678054377683
Energy: 0.6994929545336067
Energy: 0.5834974357939061
Energy: 0.5904616533878907
Energy: 0.6149518062419135
Energy: 0.58362234957391
Energy: 0.5872413860218378
Energy: 0.6845992471313816
Energy: 0.5898801110652757
Energy: 0.5902621963942039
Energy: 0.5553291278096667
Energy: 0.5924843352747415
Energy: 0.5698237446224885
Energy: 0.6834152128928662
Energy: 0.5835957905529846
Energy: 0.5822445796948329
Energy: 0.5661063916696553
Energy: 0.5842555791903546
Energy: 0.5770238728207575
Energy: 0.7363098779998231
Energy: 0.5693088759352035
Energy: 0.5765734665231389
Energy: 0.577024282387328
Energy: 0.5668725558254323
Energy: 0.5782236866470942
Energy: 0.815033676905344
Energy: 0.5674890244677941
Energy: 0.5529165531896589
Energy: 0.552467156866452
Energy: 0.5674906461637909
Energy: 0.5520465175900577
Energy: 0.7804143588127445
Energy: 0.5655009660118878
Energy: 0.5655165252538172
Energy: 0.5619732227143174
Energy: 0.5655479355421097
Energy: 0.5653346302946566
Energy: 0.7332334043596662
Energy: 0.5700961511381911
Energy: 0.5694673837294031
Energy: 0.5903096851261613
Energy: 0.5737206263985853
Energy: 0.5700278552469286
Energy: 0.7461844282403537
Energy: 0.6115001961260297
Energy: 0.5893398117258607
Energy: 0.5620889232991368
Energy: 0.6043738764244738
Energy: 0.5779176597765839
Energy: 0.7143388296709213
Energy: 0.57566227624578
Energy: 0.5671698142042346
Energy: 0.59327586480822
Energy: 0.5735122016183474
Energy: 0.5670892428199069
Energy: 0.732885811144656
Energy: 0.5814706982567786
Energy: 0.5819731704464607
Energy: 0.5766927108071004
Energy: 0.5806703307065233
Energy: 0.583524263444689
Energy: 0.7362732771845202
Energy: 0.5730188574708164
Energy: 0.5748730197355478
Energy: 0.5707050344300556
Energy: 0.5913102738766339
Energy: 0.576650705086823
Energy: 0.6887054302756754
Energy: 0.5795359190779373
Energy: 0.5691630968214891
Energy: 0.5791668931284865
Energy: 0.5657254060461925
Energy: 0.5728295347826879
Energy: 0.6343032201710371
Energy: 0.5769236502306014
Energy: 0.5761594465857776
Energy: 0.5740936001397439
Energy: 0.5613340148877889
Energy: 0.5738450673267228
Energy: 0.6287680259891293
Energy: 0.5692772758859728
Energy: 0.5708914780502903
Energy: 0.560943843169036
Energy: 0.5643360502342065
Energy: 0.5690093346738346
Energy: 0.6298147306009977
Energy: 0.5295839097174089
Energy: 0.5296282561062865
Energy: 0.5562254362405824
Energy: 0.5300604038496433
Energy: 0.5299326135868295
Energy: 0.5752108126570195
Energy: 0.52948822703363
Energy: 0.5295831253019628
Energy: 0.5573502842573491
Energy: 0.5474666844057596
Energy: 0.5566625960952803
Energy: 0.573497208340904
Energy: 0.5654525481203834
Energy: 0.5666577842976331
Energy: 0.568469989960515
Energy: 0.5651054773607974
Energy: 0.5665794247368031
Energy: 0.5709039016888231
Energy: 0.5666055348541578
Energy: 0.5608314055229442
Energy: 0.5652671589312752
Energy: 0.5647494972858877
Energy: 0.5535003906074686
Energy: 0.6189882858004824
Energy: 0.5710294628745934
Energy: 0.5727571902311616
Energy: 0.5693677098065639
Energy: 0.5767665185725636
Energy: 0.5734504018170358
Energy: 0.6226098716601636
Energy: 0.5917011566587002
Energy: 0.5892174663985097
Energy: 0.585558186665538
Energy: 0.590003226209552
Energy: 0.586061727477599
Energy: 0.6186900103646451
Energy: 0.5945645676774779
Energy: 0.5974085153324238
Energy: 0.5711471702349836
Energy: 0.5878785038070234
Energy: 0.59547005401572
Energy: 0.6831857466938552
Energy: 0.5857592219898465
Energy: 0.5876145459051668
Energy: 0.5548595868032575
Energy: 0.5868976465030269
Energy: 0.5851050038426829
Energy: 0.6843120780697384
Energy: 0.5919465187968699
Energy: 0.5593571444677515
Energy: 0.5606374457727887
Energy: 0.5718204085245221
Energy: 0.5702280044802124
Energy: 0.6955186927681164
Energy: 0.5750144331121241
Energy: 0.5652271366144231
Energy: 0.5801240335558464
Energy: 0.5643630712376606
Energy: 0.5860420304292643
Energy: 0.7802952614788249
Energy: 0.5532201078447936
Energy: 0.5363582781086582
Energy: 0.5369043117849268
Energy: 0.5554448476016483
Energy: 0.5469181044532777

minimum gb energy = 0.5294134964630179 eV
minimum distance =  2.5158341002823 Angstroms
sigma value = 51


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

Energy: 0.8946241381914752
Energy: 0.5979334348140618
Energy: 0.5981104693589788
Energy: 0.5744374678255
Energy: 0.600332895334422
Energy: 0.5760656466581068
Energy: 0.6803516370468058
Energy: 0.5491285918808132
Energy: 0.5487653992019098
Energy: 0.5182369686746647
Energy: 0.5492793934269807
Energy: 0.5489852098627539
Energy: 0.6742249693381848
Energy: 0.5487994167655401
Energy: 0.5487338906444932
Energy: 0.54527498752247
Energy: 0.5494458356271368
Energy: 0.549149033156828
Energy: 0.7169058698673033
Energy: 0.5517185554948563
Energy: 0.5337653745774632
Energy: 0.5364397872174227
Energy: 0.60248103080211
Energy: 0.53675904476395
Energy: 0.6428288420740262
Energy: 0.5493841312099703
Energy: 0.549758768508784
Energy: 0.539515423660004
Energy: 0.5517565301371845
Energy: 0.5613495426634131
Energy: 0.6459103952719965
Energy: 0.54661261273734
Energy: 0.5506319119644515
Energy: 0.5397883927875915
Energy: 0.5455446465385885
Energy: 0.553582137431457
Energy: 0.650056679445664
Energy: 0.5553511015089825
Energy: 0.5537050105416876
Energy: 0.5400288086412839
Energy: 0.5528997546265138
Energy: 0.5621179244085922
Energy: 0.6218566326248071
Energy: 0.5235376101365309
Energy: 0.5238112150020292
Energy: 0.582606364949621
Energy: 0.5404879539029795
Energy: 0.523634017293359
Energy: 0.5518290345083211
Energy: 0.5622760533003416
Energy: 0.5617981795699714
Energy: 0.5517682509179831
Energy: 0.5492059480179512
Energy: 0.5490484604676547
Energy: 0.5503395885827528
Energy: 0.5496947047598217
Energy: 0.549324142531131
Energy: 0.5503822958618189
Energy: 0.5182063090790363
Energy: 0.5490100343347758
Energy: 0.5496625206184732
Energy: 0.5508444184852715
Energy: 0.5507824070980313
Energy: 0.5515300201190096
Energy: 0.5326037069812046
Energy: 0.5509871243553927
Energy: 0.5891289781719696
Energy: 0.5499849184161296
Energy: 0.5493847506734459
Energy: 0.554812387117753
Energy: 0.5527020394552024
Energy: 0.5499509320914359
Energy: 0.5815347355183417
Energy: 0.5492014592519163
Energy: 0.5749858171287424
Energy: 0.5657007745174065
Energy: 0.5660601276180918
Energy: 0.5544095377597318
Energy: 0.5834361874434596
Energy: 0.5368437596607001
Energy: 0.5369739326299182
Energy: 0.5501849607427705
Energy: 0.5370954337675387
Energy: 0.5552178847119021
Energy: 0.6833681140128056
Energy: 0.5562867802103111
Energy: 0.5751450678168024
Energy: 0.5719164326682765
Energy: 0.5553598442944427
Energy: 0.5488214846815814
Energy: 0.679350757664601
Energy: 0.5544401879086243
Energy: 0.5543945775544421
Energy: 0.5468032284174804
Energy: 0.5537922516419864
Energy: 0.547208159557038
Energy: 0.6783600308962637
Energy: 0.5540595354609981
Energy: 0.5536061599379272
Energy: 0.5648814381607277
Energy: 0.5670427621497269
Energy: 0.5538364392913805
Energy: 0.752398880542881
Energy: 0.549079610068499
Energy: 0.5398389424792706
Energy: 0.5475070527010235
Energy: 0.549293693663454
Energy: 0.5391964179865638

minimum gb energy = 0.5182063090790363 eV
minimum distance =  2.64436523085194 Angstroms
sigma value = 19


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

Energy: 0.7494280088245299
Energy: 0.5216600847123061
Energy: 0.5218805824176375
Energy: 0.6202886235163674
Energy: 0.5111979834575735
Energy: 0.6224828324874517
Energy: 0.7363194745687324
Energy: 0.5111108678377881
Energy: 0.5122100296390929
Energy: 0.5044650981213098
Energy: 0.5114883341583095
Energy: 0.5117165596006882
Energy: 0.5922201916914468
Energy: 0.5118952161076648
Energy: 0.5121830482515828
Energy: 0.5254315661508814
Energy: 0.5115770787116452
Energy: 0.5117539384447255
Energy: 0.627124784986544
Energy: 0.5114518570488962
Energy: 0.5121171407656747
Energy: 0.5239935424043367
Energy: 0.5532076289815959
Energy: 0.512470501037156
Energy: 0.5527842558187849
Energy: 0.5113362784977699
Energy: 0.5115161847434456
Energy: 0.5047655747911514
Energy: 0.511591287984384
Energy: 0.5113626825668613
Energy: 0.5926436841461764
Energy: 0.5011190429435888
Energy: 0.5257060364430649
Energy: 0.5252714116711367
Energy: 0.5010202269802869
Energy: 0.5249078202379516
Energy: 0.5920099829176998
Energy: 0.5257585807988773
Energy: 0.5253549121597012
Energy: 0.51159156077468
Energy: 0.5046913001363108
Energy: 0.5115377837843512
Energy: 0.5522310450297905
Energy: 0.46499418961346695
Energy: 0.5012153767287747
Energy: 0.5525069913946665
Energy: 0.46507236575809907
Energy: 0.5013703203008667
Energy: 0.5112368103843915
Energy: 0.5198534456374277
Energy: 0.5216044394087401
Energy: 0.5109279048737564
Energy: 0.5008969384479584
Energy: 0.5197532628920767
Energy: 0.5126503123690197
Energy: 0.5262832624988026
Energy: 0.5114683885407209
Energy: 0.5116004041038584
Energy: 0.5041621058924423
Energy: 0.5114267832304786
Energy: 0.5105412670500368
Energy: 0.5668143001494745
Energy: 0.5675406514903887
Energy: 0.5106181929687655
Energy: 0.5680387357096703
Energy: 0.5122500334176322
Energy: 0.6284449027278083
Energy: 0.5247507546903009
Energy: 0.5260919268994568
Energy: 0.5117394698976386
Energy: 0.525604839783508
Energy: 0.5111637417208927
Energy: 0.5006012073349052
Energy: 0.5110771765195391
Energy: 0.5260820053152933
Energy: 0.5022407763501392
Energy: 0.5120043200610778
Energy: 0.5250709645456008
Energy: 0.6291088626470229
Energy: 0.5254754778520518
Energy: 0.5264137678986915
Energy: 0.5119348470238464
Energy: 0.5701480234417879
Energy: 0.5254462209185224
Energy: 0.7417676909089106
Energy: 0.5123556561724792
Energy: 0.5117813165214052
Energy: 0.5007581081978176
Energy: 0.5114653529609737
Energy: 0.5212470007421128
Energy: 0.7523508977385268
Energy: 0.5113175296213565
Energy: 0.5015674577482996
Energy: 0.4846964677663479
Energy: 0.5108080171335728
Energy: 0.5016832309568545
Energy: 0.6284440882485515
Energy: 0.5110942648895267
Energy: 0.5118884467649258
Energy: 0.5049512610423165
Energy: 0.5118753238452514
Energy: 0.5114814816229359
Energy: 0.6292608588287939
Energy: 0.5115803285588348
Energy: 0.5119336174092567
Energy: 0.5074986343379286
Energy: 0.5110381556369031
Energy: 0.5122029512880432
Energy: 0.6310124711746654
Energy: 0.5117908327198841
Energy: 0.5254130794245336
Energy: 0.5072278076922445
Energy: 0.5113625689236962
Energy: 0.5248729504253902
Energy: 0.6290638498172925
Energy: 0.5008438031583116
Energy: 0.5115849044564215
Energy: 0.5118238910315663
Energy: 0.5009373188099213
Energy: 0.5251466336434427
Energy: 0.6274976555594948
Energy: 0.5114275498337122
Energy: 0.5116623982063682
Energy: 0.5687016340255708
Energy: 0.5115599029656736
Energy: 0.5253396036615979
Energy: 0.6311749999049262
Energy: 0.5250436667424684
Energy: 0.5265897561408144
Energy: 0.5116083089375678
Energy: 0.5258274587637091
Energy: 0.5110817392413654
Energy: 0.554239416766613
Energy: 0.5014545554941513
Energy: 0.500791408832359
Energy: 0.5544637927837578
Energy: 0.5019336011899033
Energy: 0.5227978023347005
Energy: 0.5112926605987589
Energy: 0.5267234913424875
Energy: 0.5117135534578937
Energy: 0.5113825205632463
Energy: 0.5006683136597702
Energy: 0.5113302559866207
Energy: 0.5113955516484334
Energy: 0.5249777438703724
Energy: 0.5255585418999019
Energy: 0.5115130719590835
Energy: 0.5254826469896625
Energy: 0.5115419849800037
Energy: 0.5535922324191831
Energy: 0.5246303212711505
Energy: 0.5248424699441452
Energy: 0.5539607476253783
Energy: 0.5689907512390712
Energy: 0.5120771953450589
Energy: 0.5918335547993009
Energy: 0.5260569800754734
Energy: 0.5708911223792101
Energy: 0.511501617403151
Energy: 0.5043543195074888
Energy: 0.511444387325235
Energy: 0.5006956794757637
Energy: 0.5093322471139302
Energy: 0.525554829591215
Energy: 0.5007945020891612
Energy: 0.5251045302092681
Energy: 0.5249946105820841
Energy: 0.5517885292803103
Energy: 0.5111418112758769
Energy: 0.5260915006220758
Energy: 0.5119333709813026
Energy: 0.511539442205252
Energy: 0.525309184322926
Energy: 0.679341080688056
Energy: 0.5113034006442997
Energy: 0.501170356086512
Energy: 0.4651534852997462
Energy: 0.5525443352387304
Energy: 0.5011212600039963

minimum gb energy = 0.46499418961346695 eV
minimum distance =  2.70159762758847 Angstroms
sigma value = 27


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

Energy: 0.6405031285928177
Energy: 0.5915071730673129
Energy: 0.5920998645996078
Energy: 0.5742512741691191
Energy: 0.682375278514511
Energy: 0.5919328419467059
Energy: 0.5415612092179642
Energy: 0.5285307365184816
Energy: 0.5286448283812308
Energy: 0.5366159978719887
Energy: 0.5297906089894798
Energy: 0.5291780205754202
Energy: 0.5724381406741891
Energy: 0.5318461941576695
Energy: 0.5278374657872659
Energy: 0.5084223317028711
Energy: 0.5306320451617377
Energy: 0.5289687664916126
Energy: 0.5755393594218748
Energy: 0.5568465107681629
Energy: 0.5302607695762047
Energy: 0.5113740645538111
Energy: 0.6288255141379084
Energy: 0.5089746240252502
Energy: 0.6071023650368841
Energy: 0.5556635623797579
Energy: 0.5069806084467436
Energy: 0.5509104792780767
Energy: 0.5539154935521678
Energy: 0.4908359880050212
Energy: 0.5405672619549222
Energy: 0.5575536702348752
Energy: 0.5557870908124732
Energy: 0.5382519288033648
Energy: 0.5520297479414781
Energy: 0.47939219841359065
Energy: 0.5284612206211948
Energy: 0.5134889520765082
Energy: 0.5116431052562331
Energy: 0.5297493594512556
Energy: 0.524116570043531
Energy: 0.5297097217882253
Energy: 0.5325614605633875
Energy: 0.5599837286335717
Energy: 0.5039932520617757
Energy: 0.5298124282818356
Energy: 0.5034097401652889
Energy: 0.527320860158908
Energy: 0.5739279468407597
Energy: 0.5697974911110626
Energy: 0.5181145733131904
Energy: 0.5295991905744131
Energy: 0.504559827916197
Energy: 0.5107957552115713
Energy: 0.5047822250107425
Energy: 0.5122318752461635
Energy: 0.519321151892657
Energy: 0.5349498325486627
Energy: 0.5306196040203899
Energy: 0.4965881165482884
Energy: 0.5729608195277655
Energy: 0.5413182128630332
Energy: 0.5426151112040152
Energy: 0.5311826918853894
Energy: 0.5405589266386385
Energy: 0.54218332516785
Energy: 0.5415612096761773
Energy: 0.5300259883114371
Energy: 0.5300915314219253
Energy: 0.5228196197656516
Energy: 0.5299046686556789
Energy: 0.5308098079888828

minimum gb energy = 0.47939219841359065 eV
minimum distance =  2.62950435587597 Angstroms
sigma value = 9


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

Energy: 0.9508070448591242
Energy: 0.7505470553489516
Energy: 0.5327933867206813
Energy: 0.687088582332049
Energy: 1.0057119510899764
Energy: 0.7417341811628598
Energy: 0.45961369807044106
Energy: 0.5046909972640938
Energy: 0.49299080394006206
Energy: 0.5301384907854264
Energy: 0.5029195872498328
Energy: 0.49029576406524644
Energy: 0.4975744230170794
Energy: 0.4783475114854182
Energy: 0.4785590486152213
Energy: 0.4646187474123517
Energy: 0.48002384571226364
Energy: 0.4785041771703829
Energy: 0.5007345603143919
Energy: 0.4909526576926152
Energy: 0.49270557064404996
Energy: 0.4645525295983518
Energy: 0.5325649628686905
Energy: 0.49547055416468716
Energy: 0.5523062544466292
Energy: 0.5868161854667339
Energy: 0.5684154501360617
Energy: 0.5545140527582253
Energy: 0.5073902886454829
Energy: 0.5005881969895963
Energy: 0.5132347620110864
Energy: 0.5775991504551067
Energy: 0.5223375452296918
Energy: 0.5190568929644196
Energy: 0.5812375336779876
Energy: 0.5124939382746566
Energy: 0.5143505662071133
Energy: 0.5055033508397577
Energy: 0.5203184463400644
Energy: 0.5149839031363458
Energy: 0.4922923010744162
Energy: 0.5243685245670472
Energy: 0.499168834092218
Energy: 0.5371297036054626
Energy: 0.5006846411029442
Energy: 0.4992120437644477
Energy: 0.5385749231056921
Energy: 0.4992081605986492
Energy: 0.527997137699618
Energy: 0.5474337170790651
Energy: 0.5399077973465851
Energy: 0.5399314170459154
Energy: 0.5097078455028906
Energy: 0.48422864327728415
Energy: 0.4624311965661949
Energy: 0.5110096857352987
Energy: 0.501149039440595
Energy: 0.4276955868454311
Energy: 0.5286085802103252
Energy: 0.47611834501157696
Energy: 0.46730392969414064
Energy: 0.4988581483483471
Energy: 0.49881199177365426
Energy: 0.42736503240199003
Energy: 0.49928562910672863
Energy: 0.4985813883340983
Energy: 0.5232672521261511
Energy: 0.5152533915805205
Energy: 0.5167704321706602
Energy: 0.5087000902590637
Energy: 0.5117985292120093
Energy: 0.5156268776376174
Energy: 0.8410159051732407
Energy: 0.5001655812574312
Energy: 0.6112079098500635
Energy: 0.6433371817061593
Energy: 0.49742224603024376
Energy: 0.6724074773543939
Energy: 0.5271959177106742
Energy: 0.5005899970392541
Energy: 0.4800693131397955
Energy: 0.5182501382002953
Energy: 0.500589059062304
Energy: 0.5044571065816076
Energy: 0.5171211294942402
Energy: 0.5010804475156493
Energy: 0.49992592618916504
Energy: 0.47994769173789825
Energy: 0.5006045979280828
Energy: 0.556415505298349
Energy: 0.47869129108343517
Energy: 0.5101490601733072
Energy: 0.4812671995276289
Energy: 0.4792562594360089
Energy: 0.494367730718589
Energy: 0.47874700040889295
Energy: 0.5380831845811918
Energy: 0.5782539371128519
Energy: 0.5019748324825455
Energy: 0.526355045491525
Energy: 0.5163680807728254
Energy: 0.519748498069244
Energy: 0.5448623411694231
Energy: 0.5005035895760691
Energy: 0.5305791041867256
Energy: 0.5470179166522312
Energy: 0.5001351326097737
Energy: 0.5286914502724429
Energy: 0.49790210746083197
Energy: 0.4957551753249439
Energy: 0.4590262923729397
Energy: 0.4808355778514662
Energy: 0.49284565330175295
Energy: 0.47965127277685754
Energy: 0.4999950990950122
Energy: 0.47985213493878703
Energy: 0.47914670134359677
Energy: 0.47938176631274
Energy: 0.48002518992527266
Energy: 0.4788527954582236
Energy: 0.4975103674006611
Energy: 0.48070039954991206
Energy: 0.480799810110216
Energy: 0.4795422584619036
Energy: 0.4807755760108394
Energy: 0.4844016199333958
Energy: 0.49465687566932565
Energy: 0.5200727471926999
Energy: 0.5210217786398671
Energy: 0.5306079091001134
Energy: 0.5729589247438428
Energy: 0.5117772801031016
Energy: 0.5969511389749967
Energy: 0.5242417785082513
Energy: 0.4964903900867461
Energy: 0.592661545420932
Energy: 0.5274278712113794
Energy: 0.5178439234818588
Energy: 0.4983954823762298
Energy: 0.47832164591073306
Energy: 0.478419635757067
Energy: 0.500928861065054
Energy: 0.4809209619577276
Energy: 0.47859880730004745
Energy: 0.6313583085990577
Energy: 0.47923094520861853
Energy: 0.47821752059841444
Energy: 0.5546195517325787
Energy: 0.4787068093514162
Energy: 0.5552662071081058
Energy: 0.5449899441055751
Energy: 0.4813977618136798
Energy: 0.47763962134331794
Energy: 0.5008050269043842
Energy: 0.5192484003409125
Energy: 0.5031201049377428
Energy: 0.7907936259466423
Energy: 0.6059168595040119
Energy: 0.6029885233524904
Energy: 0.7933184318317331
Energy: 0.6019935438908864
Energy: 0.5127881565679104
Energy: 0.5137670535987318
Energy: 0.5384085956110002
Energy: 0.516966340850577
Energy: 0.5106542342048885
Energy: 0.49149169725007175
Energy: 0.5303879952621428
Energy: 0.49963122579651975
Energy: 0.5167023668253806
Energy: 0.49127969479514727
Energy: 0.5002358695556594
Energy: 0.5185624379343398
Energy: 0.4994562833154704
Energy: 0.5290841366893693
Energy: 0.536685381389387
Energy: 0.502220510835025
Energy: 0.5286193241351903
Energy: 0.538726899075828
Energy: 0.5012754080952581
Energy: 0.45918419408150046
Energy: 0.4857107513189505
Energy: 0.48630506528734346
Energy: 0.5025008019308964
Energy: 0.49484309768298756
Energy: 0.531666795629406
Energy: 0.7279259220388387
Energy: 0.49883233717460274
Energy: 0.49881065452181783
Energy: 0.4801247827983093
Energy: 0.4987480481697636
Energy: 0.4762556842011534
Energy: 0.5712417979930212
Energy: 0.5131866875159806
Energy: 0.515409410389965
Energy: 0.4914085514836906
Energy: 0.5105879743926096
Energy: 0.5120281738014498
Energy: 0.4804435410886888
Energy: 0.512659230084091
Energy: 0.5094531492254452
Energy: 0.4859854391741879
Energy: 0.5119904249456645
Energy: 0.5007346891853987
Energy: 0.5330114226682413
Energy: 0.5289409107701566
Energy: 0.5035544275135807
Energy: 0.5166628149242236
Energy: 0.5044585184916894
Energy: 0.5878743212981593
Energy: 0.5329327234678314
Energy: 0.49591083028054816
Energy: 0.49303495071199444
Energy: 0.5330221894624805
Energy: 0.49648643506654955
Energy: 0.4938630531573084
Energy: 0.47891211829781766
Energy: 0.477551066065347
Energy: 0.4681713416666827
Energy: 0.4795760588124906
Energy: 0.4650168189057685
Energy: 0.4786486003271809
Energy: 0.49958875723272217
Energy: 0.5127958263608636
Energy: 0.4941940273871597
Energy: 0.5030064970941653
Energy: 0.5044531677789288
Energy: 0.4897337261434574
Energy: 0.489054265083505
Energy: 0.6731979292337286
Energy: 0.6715946736989926
Energy: 0.4907320744100121
Energy: 0.6466503896526581
Energy: 0.5468094314336845
Energy: 0.5488273266082171
Energy: 0.47908336368228605
Energy: 0.47767425517828754
Energy: 0.4889644384667801
Energy: 0.50931107016066
Energy: 0.48648435842113724
Energy: 0.4982051061144403
Energy: 0.47938527686207394
Energy: 0.49585845410875534
Energy: 0.4814541052140754
Energy: 0.4791440126043392
Energy: 0.4793254292184277
Energy: 0.49769429449595637
Energy: 0.4803977675981164
Energy: 0.4796917866970698
Energy: 0.48066428675833506
Energy: 0.4799559368068715
Energy: 0.48443754227571145
Energy: 0.5972220630352011
Energy: 0.5232177429042385
Energy: 0.4959390255414442
Energy: 0.5928759867430514
Energy: 0.5385803826979954
Energy: 0.5689933450804872

minimum gb energy = 0.42736503240199003 eV
minimum distance =  2.58992439898083 Angstroms
sigma value = 57


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

Energy: 0.3217290315804471
Energy: 0.31530736439046314
Energy: 0.2834624932907857
Energy: 0.27780847231013
Energy: 0.41517980002115196
Energy: 0.32216703629464216
Energy: 0.3220053470153632
Energy: 0.37622557579422966
Energy: 0.38051918502781434
Energy: 0.36876723381559523
Energy: 0.3696378306592593
Energy: 0.37244891103694744
Energy: 0.39440672365431134
Energy: 0.3749954309591313
Energy: 0.3759074766359766
Energy: 0.387690928724999
Energy: 0.37604115882365613
Energy: 0.3751384358693245
Energy: 0.405882805348116
Energy: 0.3788940084087883
Energy: 0.3877760427412929
Energy: 0.3888889381019461
Energy: 0.3878704171961954
Energy: 0.37893538058028237
Energy: 0.3974800706984839
Energy: 0.2766471591573977
Energy: 0.29445763015965226
Energy: 0.41315458265818267
Energy: 0.27650429563857165
Energy: 0.389185148751276
Energy: 0.37425576030116464
Energy: 0.27652433333765636
Energy: 0.2767667545643393
Energy: 0.36252191399753
Energy: 0.2763903778350779
Energy: 0.2914960799213663
Energy: 0.37437275527895086
Energy: 0.3698558700483606
Energy: 0.3689271044475775
Energy: 0.38413058228309827
Energy: 0.3829892549509495
Energy: 0.38700499570269253
Energy: 0.3741260842649771
Energy: 0.39819842533467953
Energy: 0.3779541464814575
Energy: 0.3736151227013394
Energy: 0.397748205280956
Energy: 0.3776082341769537
Energy: 0.39801111362248914
Energy: 0.3853014801384624
Energy: 0.3811617865531097
Energy: 0.3797685190732706
Energy: 0.38435931819296243
Energy: 0.38114974934454776
Energy: 0.28083213909829996
Energy: 0.39973287276628583
Energy: 0.2921618786299307
Energy: 0.2763873329163857
Energy: 0.40031858665874115
Energy: 0.2770474626307952
Energy: 0.27637461401621854
Energy: 0.38229574203772565
Energy: 0.3812671145324423
Energy: 0.2764089844852949
Energy: 0.3826555477156933
Energy: 0.2940615789562149
Energy: 0.39987677236428565
Energy: 0.3843145226510433
Energy: 0.38348962904623485
Energy: 0.38068426627163127
Energy: 0.3760183446455101
Energy: 0.3841662715912545
Energy: 0.3975183705842476
Energy: 0.3982470673706243
Energy: 0.39722102015332783
Energy: 0.39707769734489423
Energy: 0.3991521007521882
Energy: 0.39863739488057653
Energy: 0.3987741486009574
Energy: 0.383938591747508
Energy: 0.3824815029457624
Energy: 0.40764002849234127
Energy: 0.38314025030214693
Energy: 0.3738039981300621
Energy: 0.3848363369439021
Energy: 0.2765788599780569
Energy: 0.2765063667198972
Energy: 0.3667079987507175
Energy: 0.2795015019402132
Energy: 0.27722553438363823
Energy: 0.37532105371146607
Energy: 0.38099989550317054
Energy: 0.3888259276290679
Energy: 0.38718092573356594
Energy: 0.27657099150704506
Energy: 0.370729764515663
Energy: 0.3799286282398513
Energy: 0.36515610154277645
Energy: 0.3879199174704673
Energy: 0.38500202791575144
Energy: 0.38318292533145776
Energy: 0.3853628298143211
Energy: 0.394375214013923
Energy: 0.3970870088108473
Energy: 0.40263226510630634
Energy: 0.4165940735848555
Energy: 0.38044033935787985
Energy: 0.3755395644868475
Energy: 0.3219508393320519
Energy: 0.38068074647998446
Energy: 0.3809372743687351
Energy: 0.27653416271033937
Energy: 0.39894395754872614
Energy: 0.3897757465332461

minimum gb energy = 0.27637461401621854 eV
minimum distance =  2.6830275979502 Angstroms
sigma value = 11


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

Energy: 0.7752450862655176
Energy: 0.6229387384627059
Energy: 0.7322523477456412
Energy: 0.647336010099951
Energy: 0.8969959352307558
Energy: 0.7311135883960433
Energy: 0.46526863164770466
Energy: 0.44086437988432736
Energy: 0.45117457847302356
Energy: 0.4405226177307429
Energy: 0.44805171161016666
Energy: 0.45680149187295427
Energy: 0.44657338863637475
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Energy: 0.4454674854046043
Energy: 0.44764976351489905
Energy: 0.4524453600743251
Energy: 0.4420887501864459
Energy: 0.4464436446716051
Energy: 0.4561981113239081
Energy: 0.46803434360319496
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Energy: 0.4491435735481164
Energy: 0.44946988320719905
Energy: 0.44772566107331774
Energy: 0.4502175684229661
Energy: 0.42962412309204934
Energy: 0.44787087495453315
Energy: 0.4767316469597148
Energy: 0.4529932553042532
Energy: 0.5436259894975506
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Energy: 0.47243514481433996
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Energy: 0.4492801404443713
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Energy: 0.5951710690075304
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Energy: 0.42946331658621867
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Energy: 0.42157532420853094
Energy: 0.4452697503920726
Energy: 0.4759729436392848
Energy: 0.5893619783948287
Energy: 0.5988693904203601
Energy: 0.47600408731805466
Energy: 0.5937137230242392
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Energy: 0.4795561886448437
Energy: 0.44227954620257964
Energy: 0.5082170513396894
Energy: 0.47780618822851306
Energy: 0.42738053615136873
Energy: 0.5954848155616103
Energy: 0.5698611856250261
Energy: 0.5495069673801067
Energy: 0.5339837592562859
Energy: 0.5998070169189356
Energy: 0.4941908415457992
Energy: 0.5258445084155562
Energy: 0.4703445008080979
Energy: 0.469876062032094
Energy: 0.46981767351390497
Energy: 0.4751704033497135
Energy: 0.4199312784873523
Energy: 0.5159213592020802
Energy: 0.46873296506619083
Energy: 0.43704030497549373
Energy: 0.45014319985522483
Energy: 0.47814915716534767
Energy: 0.4624576166734346
Energy: 0.5305447454645381
Energy: 0.5525088339016324
Energy: 0.5277548881392105
Energy: 0.5005046707750502
Energy: 0.5144440544846004
Energy: 0.5798869492266936
Energy: 0.6296903850354099
Energy: 0.4763995970307165
Energy: 0.428752708148481
Energy: 0.4492891916340834
Energy: 0.4814620141171361
Energy: 0.4302051406240372
Energy: 0.4490750968951107
Energy: 0.6476879394037778
Energy: 0.5532587762767176
Energy: 0.44862851012037647
Energy: 0.6386281659273133
Energy: 0.49962945802852715
Energy: 0.4558163619389696
Energy: 0.43424393868780625
Energy: 0.4283913968954279
Energy: 0.4562215023458338
Energy: 0.4346846346422679
Energy: 0.4470521588228566
Energy: 0.44780014875648033
Energy: 0.44451496445568056
Energy: 0.4441437258941092
Energy: 0.45829927085164684
Energy: 0.4437632792584728
Energy: 0.4442964142131721
Energy: 0.46540578081586276
Energy: 0.4439918183199114
Energy: 0.4424404127858347
Energy: 0.4655394679395117
Energy: 0.44789454606484147
Energy: 0.4639413192683081
Energy: 0.6197242671791386
Energy: 0.4558258297127719
Energy: 0.451164482567633
Energy: 0.48319209174692457
Energy: 0.4478238842692427
Energy: 0.42877743915628663

minimum gb energy = 0.4199312784873523 eV
minimum distance =  2.5952612124667 Angstroms
sigma value = 41


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

Energy: 0.720543998942408
Energy: 0.5390170722192628
Energy: 0.5390722228185924
Energy: 0.530959216009154
Energy: 0.545782595479896
Energy: 0.5466614118902737
Energy: 0.5114226120280619
Energy: 0.4697961502481187
Energy: 0.4575410275278102
Energy: 0.4667232533949899
Energy: 0.4802572805421765
Energy: 0.45561050372728373
Energy: 0.4816338148274983
Energy: 0.4699432858860706
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Energy: 0.46297725856840194
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Energy: 0.4813128090503628
Energy: 0.4703331083664606
Energy: 0.45374010463569564
Energy: 0.48194994508021916
Energy: 0.46232811993328576
Energy: 0.4498989508179719
Energy: 0.48191877486604345
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Energy: 0.4461916886775771
Energy: 0.5460019932546354
Energy: 0.499598154551448
Energy: 0.49962041834673426
Energy: 0.4918399459260913
Energy: 0.620259101745599
Energy: 0.5005566458371223
Energy: 0.5429183642995877
Energy: 0.45618255575436495
Energy: 0.4572393807297085
Energy: 0.48029094771477826
Energy: 0.47989196312744237
Energy: 0.45611612005634544
Energy: 0.5109539668636304
Energy: 0.4879005759256227
Energy: 0.4881269547249429
Energy: 0.5115057824561091
Energy: 0.4874720300460659
Energy: 0.44121345139620644
Energy: 0.5436191626484326
Energy: 0.4739499699855123
Energy: 0.4566692367775298
Energy: 0.461862305130873
Energy: 0.4741458515389508
Energy: 0.4466135869040294
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Energy: 0.4808445446993657
Energy: 0.5333622662996331
Energy: 0.4746987581369701
Energy: 0.45020215002715147
Energy: 0.5439212850423032
Energy: 0.48027815519082073
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Energy: 0.49056581485521256
Energy: 0.4463938958700928
Energy: 0.6336532063453123
Energy: 0.43874303659157066
Energy: 0.4291750657961924
Energy: 0.5171031772443656
Energy: 0.44870904825368324
Energy: 0.44751663160592703
Energy: 0.5220577659081259
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Energy: 0.5394397673443597
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Energy: 0.4851521071518373
Energy: 0.5226423681594992
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Energy: 0.4704373410491937
Energy: 0.4631793169569591
Energy: 0.4853324984808152
Energy: 0.4803182285356032
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Energy: 0.708218775721039
Energy: 0.6243016053764217
Energy: 0.45043690681491266
Energy: 0.5238940180941217
Energy: 0.5714689280898247
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Energy: 0.4477043650134541
Energy: 0.49632638738026974
Energy: 0.4813206892715153
Energy: 0.42922945838085025
Energy: 0.48151587396454587
Energy: 0.4689736911858545
Energy: 0.4710623183419941
Energy: 0.46991731139166854
Energy: 0.4689266911921504
Energy: 0.4536970447851782
Energy: 0.4826196754749425
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Energy: 0.4537783846401706
Energy: 0.4807268014820332
Energy: 0.4689536186923584
Energy: 0.47118384830220816
Energy: 0.48152141898104217
Energy: 0.45618730269676533
Energy: 0.45675658134357505
Energy: 0.48152927694376524
Energy: 0.4746089216299618
Energy: 0.4471600722668572
Energy: 0.7628961213240378
Energy: 0.6154229260661699
Energy: 0.49829541791043025
Energy: 0.7610869320097037
Energy: 0.6152522462307854
Energy: 0.5025356058593865
Energy: 0.5451066959880569
Energy: 0.4572787918132195
Energy: 0.45677064884600405
Energy: 0.4812634520228107
Energy: 0.47684840206371204
Energy: 0.45520335872574125
Energy: 0.5188828440126444
Energy: 0.4984596559516808
Energy: 0.48913060606981273
Energy: 0.5112713480266993
Energy: 0.4990565524324115
Energy: 0.44118173343798356
Energy: 0.5432532187858568
Energy: 0.4743725084935803
Energy: 0.4545306651437038
Energy: 0.47020711028235535
Energy: 0.4737443861626696
Energy: 0.4453332112425098
Energy: 0.5444609661947336
Energy: 0.4795293850743587
Energy: 0.4497923462371636
Energy: 0.4798569671750813
Energy: 0.474901386780728
Energy: 0.4509180199358479
Energy: 0.6123210203430263
Energy: 0.47482827114142345
Energy: 0.46614046368677325
Energy: 0.5334499255653773
Energy: 0.6309627226380583
Energy: 0.44585536226193206
Energy: 0.6118311201458697
Energy: 0.43858742531503786
Energy: 0.462284889682049
Energy: 0.4905801835641306
Energy: 0.4455533482206885
Energy: 0.450291201960542
Energy: 0.5990057279136888
Energy: 0.5254552635617125
Energy: 0.5569754798100827
Energy: 0.47930089433981615
Energy: 0.5250522366866729
Energy: 0.5181060366982273
Energy: 0.47624756002553964
Energy: 0.45036099193118356
Energy: 0.4499156445894171
Energy: 0.4751879167298756
Energy: 0.46584155991068416
Energy: 0.4502027380241151
Energy: 0.5064298583608686
Energy: 0.47827266682198993
Energy: 0.5126514983412579
Energy: 0.5082727158477113
Energy: 0.47828062160665274
Energy: 0.4793861672039602
Energy: 0.48220731722582344
Energy: 0.47018633581169345
Energy: 0.44642118170153894
Energy: 0.4800460809173199
Energy: 0.48058049000359715
Energy: 0.45625487150986016
Energy: 0.7087964667125481
Energy: 0.48576869313508114
Energy: 0.429099021371361
Energy: 0.4471662598616405
Energy: 0.4816317156894914
Energy: 0.430593399722427

minimum gb energy = 0.429099021371361 eV
minimum distance =  2.60664142754455 Angstroms
sigma value = 33


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

Energy: 0.5893182842182759
Energy: 0.6561676600626174
Energy: 0.6583356430786764
Energy: 0.5918517705917802
Energy: 0.9755639566559926
Energy: 0.6726236122190297
Energy: 0.6016565014536953
Energy: 0.4698005546894697
Energy: 0.47279427126607726
Energy: 0.46683595927628024
Energy: 0.5137588695828127
Energy: 0.47237126846504446
Energy: 0.5135839066516548
Energy: 0.472078735351957
Energy: 0.47034436198982277
Energy: 0.5145488243370966
Energy: 0.47051404718930834
Energy: 0.47043975336972016
Energy: 0.5119078243653123
Energy: 0.4706723401664992
Energy: 0.46980816797257824
Energy: 0.5125115898569105
Energy: 0.4729350347122292
Energy: 0.4701395086758615
Energy: 0.5122721485566546
Energy: 0.4696126239646426
Energy: 0.4635996127068445
Energy: 0.5115317869475113
Energy: 0.4864116970989811
Energy: 0.4640129979189239
Energy: 0.5640842558123584
Energy: 0.5791874032635577
Energy: 0.5762002756415466
Energy: 0.5644009558749263
Energy: 0.6003161587202588
Energy: 0.548468480439961
Energy: 0.6023410910948149
Energy: 0.48034089104717953
Energy: 0.4929449155174423
Energy: 0.5122321909207277
Energy: 0.46716180087488
Energy: 0.4700535335682105
Energy: 0.5888233591567057
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Energy: 0.4691893983848241
Energy: 0.5904377447780991
Energy: 0.46396200967669027
Energy: 0.4587287200298021
Energy: 0.5645417341017215
Energy: 0.4651057281390395
Energy: 0.4634090727726451
Energy: 0.47012213755331433
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Energy: 0.5540045430967037
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Energy: 0.514128262348471
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Energy: 0.7020100116312851
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Energy: 0.5323264131989064
Energy: 0.5983529413121653
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Energy: 0.4663828900963033
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Energy: 0.4719432246836105
Energy: 0.8253516554851523
Energy: 0.5845131734605709
Energy: 0.6396300939130857
Energy: 0.6658254161507979
Energy: 0.5911867475172853
Energy: 0.6398393474392695

minimum gb energy = 0.45719026342926705 eV
minimum distance =  2.61975598021624 Angstroms
sigma value = 67


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

Energy: 0.650663146033595
Energy: 0.42284312105296695
Energy: 0.42442469935428995
Energy: 0.6527324163668362
Energy: 0.6965576456941176
Energy: 0.4211440534503523
Energy: 0.6638056494444164
Energy: 0.4027236216298939
Energy: 0.4014999154031342
Energy: 0.4005998075284247
Energy: 0.40115646446697256
Energy: 0.4013592139223089
Energy: 0.5303908375938392
Energy: 0.3850196425062669
Energy: 0.4010563242309388
Energy: 0.4014807019015074
Energy: 0.3850246794165336
Energy: 0.4008500402568837
Energy: 0.5016426475711926
Energy: 0.4011457634968147
Energy: 0.4010128861477365
Energy: 0.5020985689826266
Energy: 0.4009853472007328
Energy: 0.4008870186215063
Energy: 0.501833340388448
Energy: 0.4009160843108083
Energy: 0.4010523192515515
Energy: 0.5015001545763159
Energy: 0.4009527471632602
Energy: 0.40100885890769816
Energy: 0.502023713266012
Energy: 0.39961027343308003
Energy: 0.401022969957783
Energy: 0.5019831699599205
Energy: 0.5337496501573139
Energy: 0.5023646459868507
Energy: 0.6667118474078405
Energy: 0.40334272641092983
Energy: 0.4021921512568237
Energy: 0.5146299913890754
Energy: 0.4011227397762117
Energy: 0.4022019343669437

minimum gb energy = 0.3850196425062669 eV
minimum distance =  2.72979963588829 Angstroms
sigma value = 3


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

Energy: 0.8143959216321623
Energy: 0.6845427553341624
Energy: 0.6019533094290718
Energy: 0.7946518403194406
Energy: 0.8382116279000756
Energy: 0.5789936995383786
Energy: 0.4645394757258554
Energy: 0.546617739980165
Energy: 0.46819291774398536
Energy: 0.5016343773928607
Energy: 0.5325001541313036
Energy: 0.47035562179721635
Energy: 0.4940292961359991
Energy: 0.46492567417693187
Energy: 0.4644757574938854
Energy: 0.49407464291880543
Energy: 0.4644042416004878
Energy: 0.4854623053530357
Energy: 0.47145803185157314
Energy: 0.46815266082694923
Energy: 0.46803469974190537
Energy: 0.47197439136946184
Energy: 0.4644220045401943
Energy: 0.4674566548619872
Energy: 0.474271190461693
Energy: 0.49272745640905435
Energy: 0.4678439911138008
Energy: 0.4672159144624206
Energy: 0.49302750347123436
Energy: 0.46767547813867477
Energy: 0.46933262312157337
Energy: 0.49286887897851944
Energy: 0.4962860902400808
Energy: 0.4693648512276026
Energy: 0.49450192278264427
Energy: 0.49643561114751317
Energy: 0.4677681231432129
Energy: 0.5092171403900813
Energy: 0.5080634581636045
Energy: 0.48078726428720003
Energy: 0.5525632275059283
Energy: 0.47587258200023447
Energy: 0.758268995658994
Energy: 0.5374219982982523
Energy: 0.5434577227422441
Energy: 0.7440267810224499
Energy: 0.5371042809011798
Energy: 0.5451983298022108
Energy: 0.46888739004248264
Energy: 0.5107899381306138
Energy: 0.5062634909451007
Energy: 0.46954698438781245
Energy: 0.474961502627044
Energy: 0.4757381654229941
Energy: 0.6228105397894946
Energy: 0.48771807308187026
Energy: 0.48750619405573464
Energy: 0.6233448631178512
Energy: 0.4874747584802509
Energy: 0.5603693149150109
Energy: 0.5623277668202797
Energy: 0.48709691110452064
Energy: 0.4867297375457312
Energy: 0.5624985572496622
Energy: 0.5529743787391512
Energy: 0.5006804860359346
Energy: 0.555571830108085
Energy: 0.5800554577009558
Energy: 0.4698376418851304
Energy: 0.5055038928512701
Energy: 0.4685982136071355
Energy: 0.4703134140425021
Energy: 0.6156009965573015
Energy: 0.4688697261238646
Energy: 0.46900304575861607
Energy: 0.4927605170728195
Energy: 0.46871134179226437
Energy: 0.46894760357933396
Energy: 0.5508104379627188
Energy: 0.4733590541932456
Energy: 0.46847310431798744
Energy: 0.4887958952785792
Energy: 0.4713723517313579
Energy: 0.468556142642633
Energy: 0.6626670472035219
Energy: 0.4684183476662198
Energy: 0.46936322638783673
Energy: 0.6479879965614783
Energy: 0.468415622968979
Energy: 0.5702123358054798
Energy: 0.550553267506986
Energy: 0.4936978312780863
Energy: 0.4952742687489007
Energy: 0.48553787643573415
Energy: 0.5651008692665972
Energy: 0.4927009817452381
Energy: 0.7148961941755102
Energy: 0.5231579542056951
Energy: 0.5235141363507151
Energy: 0.616573792026605
Energy: 0.5234065643458085
Energy: 0.6630343683454825
Energy: 0.5263023586244622
Energy: 0.4915359744919229
Energy: 0.49258224183516935
Energy: 0.5054028007874131
Energy: 0.48782273664729797
Energy: 0.49231474698267985
Energy: 0.5240512174129508
Energy: 0.5983580315804659
Energy: 0.4887209894970869
Energy: 0.5287615427870976
Energy: 0.5968282706713839
Energy: 0.4685501490140678
Energy: 0.7156013565307142
Energy: 0.5035507719390881
Energy: 0.5034417173212399
Energy: 0.46848969894278625
Energy: 0.5092153068964932
Energy: 0.4874901928964908
Energy: 0.5332462278801692
Energy: 0.49528905206510054
Energy: 0.49750434375795793
Energy: 0.4645086736342594
Energy: 0.49545051368846454
Energy: 0.49195767939326407
Energy: 0.5669799611315132
Energy: 0.5441855120101773
Energy: 0.5847544258816778
Energy: 0.5614284730590614
Energy: 0.49345761830380497
Energy: 0.464953041981902
Energy: 0.5262427470819713
Energy: 0.5381420442709809
Energy: 0.46487186025512356
Energy: 0.5270065872949417
Energy: 0.5508835664085633
Energy: 0.4619839904828837
Energy: 0.5210418122945938
Energy: 0.4699659656249696
Energy: 0.5061399361673922
Energy: 0.5210656023203274
Energy: 0.4678877283115017
Energy: 0.5212079246059205
Energy: 0.4677514135395273
Energy: 0.4617791086930789
Energy: 0.4618258854928445
Energy: 0.46800862546282185
Energy: 0.5493578125592513
Energy: 0.461465193293603
Energy: 0.7830725829183953
Energy: 0.669817324842949
Energy: 0.60660800759493
Energy: 0.4615708608259613
Energy: 0.509807323155186
Energy: 0.5407601282125652
Energy: 0.470164160859789
Energy: 0.6254982685183866
Energy: 0.5500332372662696
Energy: 0.46186184540670283
Energy: 0.6279996953838464
Energy: 0.4613280202945884
Energy: 0.4614101336418581
Energy: 0.46191794253445356
Energy: 0.46174784654406126
Energy: 0.46142943365678063
Energy: 0.552537168209682
Energy: 0.4613898103707027
Energy: 0.481537490132885
Energy: 0.46428644822530934
Energy: 0.4642499976409376
Energy: 0.4815672198016518
Energy: 0.4641511781220409
Energy: 0.4816635127591112
Energy: 0.4834189781113205
Energy: 0.4785019739151539
Energy: 0.46299653353876263
Energy: 0.4840904559920759
Energy: 0.5383940536241645
Energy: 0.4648364565911415
Energy: 0.48378247889329273
Energy: 0.5494777282863598
Energy: 0.46354651017996246
Energy: 0.46213690400342217
Energy: 0.4922639637176122
Energy: 0.4786439173483901
Energy: 0.488073029103408
Energy: 0.49674927327858254
Energy: 0.4942887750963331
Energy: 0.4636617560103184
Energy: 0.5301728237055011
Energy: 0.4941092516634342
Energy: 0.7603455678115129
Energy: 0.5723508798825949
Energy: 0.5722261209881467
Energy: 0.47024117394955656
Energy: 0.578021064458865
Energy: 0.5231554592988682
Energy: 0.4885022519501599
Energy: 0.561637506901099
Energy: 0.5343401988313676
Energy: 0.4642108304903175
Energy: 0.5121055407819866
Energy: 0.5323528614950035
Energy: 0.483074746242115
Energy: 0.487338292893314
Energy: 0.4870332456353484
Energy: 0.4831099726073009
Energy: 0.5537034244376408
Energy: 0.5007222776213662
Energy: 0.5971536366409714
Energy: 0.4877805190971011
Energy: 0.4878087655867638
Energy: 0.5878864948648175
Energy: 0.4878257143933787
Energy: 0.5597867281079311
Energy: 0.5499561897014723
Energy: 0.5303604500388205
Energy: 0.5255106907326906
Energy: 0.5284804150352455
Energy: 0.47346754804379615
Energy: 0.5241559216124578
Energy: 0.6242880788541932
Energy: 0.4690568000232738
Energy: 0.46911273183343083
Energy: 0.6055657672110097
Energy: 0.46883545108756425
Energy: 0.4697882382320543
Energy: 0.5526896629193587
Energy: 0.4730838047053826
Energy: 0.46838283039468986
Energy: 0.4894827053776234
Energy: 0.47185069803422053
Energy: 0.468222605089242
Energy: 0.6631616754904641
Energy: 0.4686049708717322
Energy: 0.46923946515276393
Energy: 0.4869295701682257
Energy: 0.46855481774637986
Energy: 0.46926204040300284
Energy: 0.5514163894857058
Energy: 0.5934302115336261
Energy: 0.46914209258447637
Energy: 0.503478771983356
Energy: 0.4685334350085586
Energy: 0.46919075905477264
Energy: 0.5941155942304196
Energy: 0.49222068835004784
Energy: 0.530784127957336
Energy: 0.5942109235738022
Energy: 0.46470133151591614
Energy: 0.517521045876203
Energy: 0.5758863721106697
Energy: 0.5230613918285432
Energy: 0.5231571586730696
Energy: 0.5761257773523482
Energy: 0.5230416852831996
Energy: 0.5592990329974548
Energy: 0.5114574546525361
Energy: 0.47230453894063695
Energy: 0.4694793691944636
Energy: 0.4879995291695221
Energy: 0.4723554561067617
Energy: 0.4698217647141808
Energy: 0.712137072102183
Energy: 0.5070895794442188
Energy: 0.5047181078023704
Energy: 0.6980129027609947
Energy: 0.507198529315718
Energy: 0.5060184044097568
Energy: 0.5114435864754245
Energy: 0.4721050167228153
Energy: 0.4697254213738241
Energy: 0.46884512878283835
Energy: 0.5125736855635596
Energy: 0.4704884973648562
Energy: 0.5665490065758718
Energy: 0.49687111676031936
Energy: 0.5032298063916811
Energy: 0.4689282522715275
Energy: 0.4961077224317121
Energy: 0.49816228032278626
Energy: 0.5163163336982036
Energy: 0.5503180936839759
Energy: 0.48590118189564163
Energy: 0.46919318337075305
Energy: 0.5050692056356119
Energy: 0.4689331030806967
Energy: 0.5099587190862681
Energy: 0.4691513229454162
Energy: 0.4684053315447771
Energy: 0.5105553950374321
Energy: 0.4692755714410142
Energy: 0.4682093776463192
Energy: 0.5949182233303809
Energy: 0.4695526033082235
Energy: 0.4686655481120302
Energy: 0.595701530004035
Energy: 0.4683068655756196
Energy: 0.468268545296085
Energy: 0.4646376957241165
Energy: 0.5763423724955224
Energy: 0.46818843800574544
Energy: 0.5142997019758858
Energy: 0.4900718501665242
Energy: 0.468728919005666

minimum gb energy = 0.4613280202945884 eV
minimum distance =  2.67832367774239 Angstroms
sigma value = 81


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

Energy: 0.8941863898838608
Energy: 0.5989783989355943
Energy: 0.5811158822596236
Energy: 0.7899795563694091
Energy: 0.57777962076683
Energy: 0.6053359351206992
Energy: 0.49552262000242797
Energy: 0.5198367483944665
Energy: 0.5228395847926016
Energy: 0.5247573034782111
Energy: 0.5191263917327731
Energy: 0.542036737370648
Energy: 0.5168925696923673
Energy: 0.4931601331704485
Energy: 0.492740795153996
Energy: 0.48478016970948556
Energy: 0.49402725241168205
Energy: 0.5829107523627192
Energy: 0.5171543350504061
Energy: 0.4929945933820802
Energy: 0.5179327039122269
Energy: 0.5167947507728149
Energy: 0.49432221290004696
Energy: 0.48365508640549304
Energy: 0.5172532829313375
Energy: 0.5471840691367453
Energy: 0.533086753592574
Energy: 0.5163175779734359
Energy: 0.5396578819643341
Energy: 0.5313415914532965
Energy: 0.6403825491440079
Energy: 0.5298210499766657
Energy: 0.531045234586356
Energy: 0.642474887835649
Energy: 0.5112720397139172
Energy: 0.5297425136183426
Energy: 0.5483896940293572
Energy: 0.4978794165142015
Energy: 0.5103831348229124
Energy: 0.5337034879257725
Energy: 0.4975400309380813
Energy: 0.511863556600428
Energy: 0.7420839035569295
Energy: 0.8102954310542464
Energy: 0.8005539455852719
Energy: 0.7463499637845
Energy: 0.5685983178581344
Energy: 0.49937380626761085
Energy: 0.5502072077965355
Energy: 0.5008811386365376
Energy: 0.5119380928570194
Energy: 0.5285140760292121
Energy: 0.5089595017251975
Energy: 0.5135044300805371
Energy: 0.6097867960354736
Energy: 0.5223072553003876
Energy: 0.5224732979988818
Energy: 0.596128049143666
Energy: 0.5211387415340952
Energy: 0.5503835611101532
Energy: 0.582915974353885
Energy: 0.49082962771376976
Energy: 0.5210083781335874
Energy: 0.5649061405362771
Energy: 0.5153338088762883
Energy: 0.5585380091967121
Energy: 0.5250849365073859
Energy: 0.5354331274274663
Energy: 0.528890535335431
Energy: 0.4938498673785214
Energy: 0.5581471436069669
Energy: 0.5117715728706869
Energy: 0.6006441841307893
Energy: 0.5123162833364316
Energy: 0.511183759299113
Energy: 0.4940862081304514
Energy: 0.534233459151915
Energy: 0.47880699389809456
Energy: 0.5173573107437691
Energy: 0.5301361039657568
Energy: 0.5301865233270556
Energy: 0.5233807270043921
Energy: 0.5373477228346424
Energy: 0.5308929738212783
Energy: 0.7223134164930752
Energy: 0.530424805056295
Energy: 0.5694688873541008
Energy: 0.5188911671624225
Energy: 0.5313317053983779
Energy: 0.5209985379864472
Energy: 0.5167540010802791
Energy: 0.5185030062310867
Energy: 0.5187132670214278
Energy: 0.5163895047451454
Energy: 0.60989577378589
Energy: 0.5196152924090549
Energy: 0.5456369454444201
Energy: 0.4781240523143161
Energy: 0.5002292080799446
Energy: 0.7656229094477554
Energy: 0.4791958402977697
Energy: 0.49995262567514925
Energy: 0.5161199971395842
Energy: 0.5049728350524268
Energy: 0.522572974082732
Energy: 0.5164137696409975
Energy: 0.5047963850762803
Energy: 0.5008287568698192
Energy: 0.5140857651794226
Energy: 0.617270473171184
Energy: 0.504308159719174
Energy: 0.5043137639776698
Energy: 0.6192050430254371
Energy: 0.5043056607038812
Energy: 0.5146168305220307
Energy: 0.5289701970863452
Energy: 0.5042926193417696
Energy: 0.504374002432804
Energy: 0.5289041717482816
Energy: 0.5044329267074525
Energy: 0.5164572461956092
Energy: 0.5047034092279387
Energy: 0.5051692480934346
Energy: 0.5168122385803545
Energy: 0.5044864698198265
Energy: 0.5008794023961484
Energy: 0.5437065966449321
Energy: 0.49321643330645465
Energy: 0.5040670640651385
Energy: 0.5442576028181716
Energy: 0.49361352977272505
Energy: 0.504074087033155
Energy: 0.5148732443633439
Energy: 0.5236788357698884
Energy: 0.5154196009750319
Energy: 0.5146885916365938
Energy: 0.5114364222821421
Energy: 0.5160162859167449
Energy: 0.5138529400590524
Energy: 0.5491309980180684
Energy: 0.516939686315984
Energy: 0.5155953246192322
Energy: 0.5527580996193173
Energy: 0.5174471597807502
Energy: 0.6070205763471936
Energy: 0.5338472996453252
Energy: 0.5338888477955149
Energy: 0.6116786827913178
Energy: 0.5388225142164538
Energy: 0.5349165177793082
Energy: 0.7428272318490908
Energy: 0.5132695301103051
Energy: 0.5257085274869782
Energy: 0.4788184484287251
Energy: 0.5371149403027599
Energy: 0.5250131419169675
Energy: 0.5275140896325168
Energy: 0.54945038572924
Energy: 0.5427945192842305
Energy: 0.47880864653180744
Energy: 0.5576165577114476
Energy: 0.5117121757312951
Energy: 0.6726186973825408
Energy: 0.4908603286312544
Energy: 0.5065850077344805
Energy: 0.6534338173287264
Energy: 0.5153519416260448
Energy: 0.538552474478279
Energy: 0.5908262957216679
Energy: 0.5213050106201874
Energy: 0.5292384181067618
Energy: 0.5823499668087535
Energy: 0.5214452185878741
Energy: 0.5215390368620447
Energy: 0.5819398699602543
Energy: 0.5006459379798942
Energy: 0.5117076021320057
Energy: 0.5528339236749188
Energy: 0.5341037914729944
Energy: 0.5384147279784786
Energy: 0.6037872736323314
Energy: 0.5882632204000704
Energy: 0.5775224663393038
Energy: 0.607443574371964
Energy: 0.5899564554001879
Energy: 0.5270230342263599
Energy: 0.5487972970955135
Energy: 0.4952100933331366
Energy: 0.4954283201657929
Energy: 0.5307026912749386
Energy: 0.49840092575038597
Energy: 0.4957548707551085
Energy: 0.6906232731961508
Energy: 0.5247835804409902
Energy: 0.5235087246927347
Energy: 0.558479585333892
Energy: 0.4966470783385961
Energy: 0.524467544989708
Energy: 0.5210709481698259
Energy: 0.6337925961351494
Energy: 0.5384053630533133
Energy: 0.520979810901774
Energy: 0.6369491811682545
Energy: 0.5442022524661556
Energy: 0.5203828082914208
Energy: 0.49811317654148707
Energy: 0.5351200961369895
Energy: 0.5196764240943825
Energy: 0.47798458302488833
Energy: 0.5001994867087846
Energy: 0.5169959215056619
Energy: 0.4776717842387769
Energy: 0.4777659024305606
Energy: 0.4835746623445404
Energy: 0.4793485305758738
Energy: 0.5826927389429704
Energy: 0.5186331218024725
Energy: 0.526996354513322
Energy: 0.523313124971582
Energy: 0.5250056159070299
Energy: 0.6157040596673096
Energy: 0.5419518143359392
Energy: 0.8946479076113703
Energy: 0.599395471883325
Energy: 0.5868266976557845
Energy: 0.5672009558556564
Energy: 0.5977614926756654
Energy: 0.6046146865013147

minimum gb energy = 0.4776717842387769 eV
minimum distance =  2.6655353635297 Angstroms
sigma value = 43


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

Energy: 0.807581844084538
Energy: 0.6823427239886793
Energy: 0.6431781698678467
Energy: 0.7731283378548388
Energy: 0.7383287404695771
Energy: 0.5203285875198088
Energy: 0.4775044718655694
Energy: 0.5138063012664754
Energy: 0.554617831185089
Energy: 0.5485160242303385
Energy: 0.5038822517518577
Energy: 0.5019953861346746
Energy: 0.6345953516075291
Energy: 0.4776395178535136
Energy: 0.47640482427592157
Energy: 0.5730677687265062
Energy: 0.47606054392679403
Energy: 0.5176801873776409
Energy: 0.491242357524662
Energy: 0.47725884852926936
Energy: 0.49071061450858294
Energy: 0.49107188237193816
Energy: 0.4757682103075356
Energy: 0.49060892485739693
Energy: 0.49036361630404396
Energy: 0.5017658520262278
Energy: 0.5019932940201349
Energy: 0.49047182720190785
Energy: 0.5016157056119664
Energy: 0.5018139330597999
Energy: 0.4907819039331429
Energy: 0.5014089872124922
Energy: 0.5018023679784901
Energy: 0.501745487498209
Energy: 0.49076859981807813
Energy: 0.502461655563943
Energy: 0.5162278412885785
Energy: 0.49051593619003186
Energy: 0.4905093877357637
Energy: 0.5167892878029295
Energy: 0.4915493166041197
Energy: 0.49032495283005306
Energy: 0.687543127505729
Energy: 0.4910494789392543
Energy: 0.49112414635405527
Energy: 0.5210395150919699
Energy: 0.4908570317625258
Energy: 0.6014508018595431
Energy: 0.5169122443140861
Energy: 0.49065726555245837
Energy: 0.4904805468741719
Energy: 0.5172685483378717
Energy: 0.5763347318729728
Energy: 0.4904748816942143
Energy: 0.5582110576904453
Energy: 0.5578775986441573
Energy: 0.560447884374648
Energy: 0.5866996013165365
Energy: 0.5591351499710119
Energy: 0.581599536866233
Energy: 0.47525823033105913
Energy: 0.5292581432130794
Energy: 0.5207762711412836
Energy: 0.47532276993781564
Energy: 0.5502612401089506
Energy: 0.5394915751247342
Energy: 0.5520204843219879
Energy: 0.5882110573440371
Energy: 0.5180227181632162
Energy: 0.47667604884952336
Energy: 0.6368247962889224
Energy: 0.490812492512297
Energy: 0.7246174385888904
Energy: 0.4913573414380689
Energy: 0.5291198367584479
Energy: 0.47586398541033237
Energy: 0.5069211213791048
Energy: 0.5045092102684449
Energy: 0.47558086590345144
Energy: 0.5064501718450221
Energy: 0.5450838293965541
Energy: 0.4756213472119455
Energy: 0.5066559441849182
Energy: 0.5460779844941261
Energy: 0.4757407927572803
Energy: 0.5451456151652763
Energy: 0.47723714758749014
Energy: 0.4760116505818876
Energy: 0.5251674289318514
Energy: 0.47747639175477324
Energy: 0.47579598713435284
Energy: 0.4769235740475352
Energy: 0.47606973538986896
Energy: 0.47612915630642066
Energy: 0.5157348844330596
Energy: 0.47558792685164025
Energy: 0.4764139650800543
Energy: 0.47639254259801594
Energy: 0.4766211064974937
Energy: 0.4765520264566638
Energy: 0.5443889248679045
Energy: 0.4763888788907969
Energy: 0.476261726179761
Energy: 0.5213945945884488
Energy: 0.521534634338207
Energy: 0.4761639283216564
Energy: 0.5311714574272015
Energy: 0.4753987436233478
Energy: 0.5158769949298615
Energy: 0.5170850616743495
Energy: 0.5259807314437537
Energy: 0.5045116559899318
Energy: 0.5184468540821559
Energy: 0.4909765753977757
Energy: 0.5152320711452948
Energy: 0.6003793609026487
Energy: 0.526165739212973
Energy: 0.49086277504367004
Energy: 0.6471029106951676
Energy: 0.4905766781984809
Energy: 0.47612091070641577
Energy: 0.5371113570503038
Energy: 0.5293888907733835
Energy: 0.4760664759131044
Energy: 0.5397412319371132
Energy: 0.5226155542823936
Energy: 0.6308108789436478
Energy: 0.5037695683213604
Energy: 0.5559505819370406
Energy: 0.6305859526165419
Energy: 0.4759671243211424
Energy: 0.5573821234198217
Energy: 0.5495699965964957
Energy: 0.522457933222799
Energy: 0.5212624511623063
Energy: 0.530939089567748
Energy: 0.5170158740392273
Energy: 0.522737880261301
Energy: 0.6427764414584733
Energy: 0.6078533464803586
Energy: 0.5634867435094097
Energy: 0.47577561623515535
Energy: 0.47628336939940763
Energy: 0.4759373529435381
Energy: 0.5496102206196785
Energy: 0.47602510865783776
Energy: 0.47565895562681126
Energy: 0.5496199293127199
Energy: 0.47650120610128366
Energy: 0.4765625996970508
Energy: 0.5199982438199069
Energy: 0.47600969270281523
Energy: 0.4757812634456277
Energy: 0.5453053574076528
Energy: 0.47554615187292887
Energy: 0.4762697813688891
Energy: 0.5198303992072668
Energy: 0.5596591980239657
Energy: 0.5314628776563585
Energy: 0.49108075759150027
Energy: 0.4752827999216073
Energy: 0.5444068708634228
Energy: 0.5201146729629818
Energy: 0.5448404484826378
Energy: 0.4908909075447097
Energy: 0.5178626313248099
Energy: 0.5143483067507629
Energy: 0.4910945544241577
Energy: 0.5964207845730589
Energy: 0.49148836028886916
Energy: 0.5173578919840836
Energy: 0.5964921933540648
Energy: 0.5209864975662183
Energy: 0.5360505992661408
Energy: 0.49105352737990726
Energy: 0.5137540249236917
Energy: 0.5453220329916146
Energy: 0.49120388827099054
Energy: 0.47544963582290295
Energy: 0.49026451021455036
Energy: 0.8082474662634067
Energy: 0.6536299066595247
Energy: 0.6478390728420643
Energy: 0.5036576600858891
Energy: 0.663159219730078
Energy: 0.6352687464796553

minimum gb energy = 0.47525823033105913 eV
minimum distance =  2.62393882763892 Angstroms
sigma value = 57


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

Energy: 0.6202481754929094
Energy: 0.5445563278288397
Energy: 0.544870096747685
Energy: 0.6222239844809164
Energy: 0.8623348608449477
Energy: 0.5547005321065606
Energy: 0.4532405305548069
Energy: 0.49282356754003687
Energy: 0.49300479038080625
Energy: 0.49295083693822533
Energy: 0.49312318372975433
Energy: 0.4900171306052914
Energy: 0.6109496344884535
Energy: 0.4505261983307811
Energy: 0.4503419421948685
Energy: 0.6120354195079832
Energy: 0.5045507075241382
Energy: 0.4501433763600307
Energy: 0.4903064103199972
Energy: 0.4504650346414499
Energy: 0.45045771393692324
Energy: 0.48972792933661125
Energy: 0.5053294787093542
Energy: 0.4894019677785472
Energy: 0.48917105141007633
Energy: 0.46606227818309104
Energy: 0.46672954764643143
Energy: 0.4892287421874414
Energy: 0.4665841964194368
Energy: 0.46681700025786166
Energy: 0.45041321019817804
Energy: 0.4678456237417899
Energy: 0.4658558750108164
Energy: 0.4660153523542646
Energy: 0.4902323327905738
Energy: 0.46576289120422726
Energy: 0.4930127785371339
Energy: 0.49001766720406026
Energy: 0.48903942096472525
Energy: 0.4933198018442768
Energy: 0.4911947916460348
Energy: 0.48926771355109616
Energy: 0.4891602446364053
Energy: 0.5646620746941704
Energy: 0.5640710685348053
Energy: 0.4889413375830329
Energy: 0.5657363185408496
Energy: 0.4898688813436324
Energy: 0.4927525357471286
Energy: 0.49074057796158665
Energy: 0.48957829534575104
Energy: 0.4933183014232472
Energy: 0.5579080061672843
Energy: 0.49052227461136527
Energy: 0.6873931763795917
Energy: 0.48960076013813525
Energy: 0.48913317354278235
Energy: 0.4930870975929691
Energy: 0.48950911955059445
Energy: 0.5491460974555654
Energy: 0.557823208839672
Energy: 0.5438008718557678
Energy: 0.4896104125930223
Energy: 0.5572730048092893
Energy: 0.4932041946646112
Energy: 0.4896872394599842
Energy: 0.4504770185855915
Energy: 0.5567535724080561
Energy: 0.49301280518839746
Energy: 0.4513445121351467
Energy: 0.5571903900809941
Energy: 0.5280519526028881
Energy: 0.45193471506207283
Energy: 0.49130603605384593
Energy: 0.5885233563152421
Energy: 0.5284514636659715
Energy: 0.49289265768516954
Energy: 0.5283992094813149
Energy: 0.55715035776288
Energy: 0.4933304360722399
Energy: 0.49294165360498277
Energy: 0.5577073793888585
Energy: 0.493629051170697
Energy: 0.48970628573817504
Energy: 0.4958636797384958
Energy: 0.477516190201011
Energy: 0.4772435460730646
Energy: 0.49580766796754366
Energy: 0.6244054976522765
Energy: 0.47711930502515765
Energy: 0.48919855060669853
Energy: 0.4667173527506149
Energy: 0.4675191254465593
Energy: 0.48992351610819046
Energy: 0.49365967466803135
Energy: 0.48911390710216557
Energy: 0.49018678964757767
Energy: 0.4656764832596169
Energy: 0.46579051480544037
Energy: 0.48963717768597437
Energy: 0.46589413577650796
Energy: 0.46600442733487535
Energy: 0.48978378845966275
Energy: 0.4898715153972715
Energy: 0.4675627291045375
Energy: 0.46713897959959166
Energy: 0.4893276792784378
Energy: 0.46821128428727726
Energy: 0.49273607935027347
Energy: 0.489482394716221
Energy: 0.4898724952269468
Energy: 0.5214945351644157
Energy: 0.4894058922077287
Energy: 0.4901004955402667
Energy: 0.4928631308299147
Energy: 0.5502231078415765
Energy: 0.48969690765599516
Energy: 0.49343128817160326
Energy: 0.5564307933351189
Energy: 0.48990513371465083
Energy: 0.4930817176430737
Energy: 0.4940382916493146
Energy: 0.49291763019743257
Energy: 0.4930894982854171
Energy: 0.4937216671246483
Energy: 0.48978909395054715
Energy: 0.6969511188077167
Energy: 0.5161851411253179
Energy: 0.5161793690350026
Energy: 0.7010261603353247
Energy: 0.5450574873060823
Energy: 0.5165216250170683
Energy: 0.5569696814515418
Energy: 0.4936328981675449
Energy: 0.4928232127155231
Energy: 0.5574117850146595
Energy: 0.49359631145749044
Energy: 0.4897478445590861
Energy: 0.6018869596377655
Energy: 0.551060857125634
Energy: 0.5884935528564443
Energy: 0.528500502452289
Energy: 0.5571689470926173
Energy: 0.5285518658187782

minimum gb energy = 0.4501433763600307 eV
minimum distance =  2.64902874737813 Angstroms
sigma value = 17


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

Energy: 0.6621997701902748
Energy: 0.566858687964277
Energy: 0.5646245307909961
Energy: 0.4767983289562415
Energy: 0.6689598153634226
Energy: 0.4767839118029917
Energy: 0.45367442067918984
Energy: 0.49751322674327036
Energy: 0.49747406609712785
Energy: 0.537657849230357
Energy: 0.49864564059273636
Energy: 0.4973041349120144
Energy: 0.5944154017121996
Energy: 0.4543448377111333
Energy: 0.4543211255179219
Energy: 0.5952668289137067
Energy: 0.45461378793691887
Energy: 0.45451300637273584
Energy: 0.4993660181124829
Energy: 0.4542542889017965
Energy: 0.45466815084138185
Energy: 0.49732837616974335
Energy: 0.4547692083974097
Energy: 0.49700789933511513
Energy: 0.49764542814554535
Energy: 0.5005676031776787
Energy: 0.5010542234653148
Energy: 0.49783660967496
Energy: 0.500271044911429
Energy: 0.5011794090612401
Energy: 0.5941460863392622
Energy: 0.44530827664084693
Energy: 0.44543188378566206
Energy: 0.43541549744717045
Energy: 0.44484840261757924
Energy: 0.4366282541191858
Energy: 0.49003491117362
Energy: 0.44590751404295104
Energy: 0.44501238069389787
Energy: 0.49020667821422015
Energy: 0.44744132559419736
Energy: 0.4950287128757226
Energy: 0.4461208840640152
Energy: 0.5330486582850319
Energy: 0.5309070560039254
Energy: 0.5327841124074817
Energy: 0.5544595334804624
Energy: 0.5309284663164378
Energy: 0.44682749614554934
Energy: 0.5330233074642827
Energy: 0.53523718192547
Energy: 0.44752818658251786
Energy: 0.4467305085162961
Energy: 0.4455523250187901
Energy: 0.44489569067637286
Energy: 0.4454011795190643
Energy: 0.44515427674262575
Energy: 0.44496610712267587
Energy: 0.44558181596244906
Energy: 0.4456943901266551
Energy: 0.56614185853637
Energy: 0.4721325855481824
Energy: 0.4997432231385651
Energy: 0.5575578358359057
Energy: 0.4979660268278628
Energy: 0.5012134656961481
Energy: 0.4965316295860227
Energy: 0.4977144605276545
Energy: 0.4968360648907011
Energy: 0.49704127321132435
Energy: 0.4979668865540135
Energy: 0.497233413958194
Energy: 0.4984910544078933
Energy: 0.5392815985746525
Energy: 0.539310517501871
Energy: 0.47146946909361426
Energy: 0.5966829850096576
Energy: 0.4975839749446444
Energy: 0.5566780948490205
Energy: 0.4983384956372717
Energy: 0.4983135255659619
Energy: 0.5563616254384893
Energy: 0.49816591240277974
Energy: 0.49705565669349616
Energy: 0.5558187730387887
Energy: 0.49693457438050864
Energy: 0.4965799900925337
Energy: 0.6512772015383343
Energy: 0.4970870570302707
Energy: 0.5383454653410595
Energy: 0.5965139300319068
Energy: 0.5047996641034916
Energy: 0.4975974310985308
Energy: 0.595154527112529
Energy: 0.5042119942548146
Energy: 0.497204840628595
Energy: 0.543545651739037
Energy: 0.540558181246653
Energy: 0.5392091105820186
Energy: 0.5146344205210416
Energy: 0.596420379465542
Energy: 0.5391363611737378

minimum gb energy = 0.43541549744717045 eV
minimum distance =  2.61040541295317 Angstroms
sigma value = 17


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

Energy: 0.682537034370268
Energy: 0.5448361004463719
Energy: 0.4695546782255239
Energy: 0.4660700002428159
Energy: 0.6660712632133605
Energy: 0.4659822315470988
Energy: 0.5401832274246146
Energy: 0.4885545778457445
Energy: 0.48740821301180143
Energy: 0.4893638052533074
Energy: 0.48920753059910155
Energy: 0.4879038477097096
Energy: 0.5658249965482557
Energy: 0.41807243819857964
Energy: 0.4483406675636612
Energy: 0.566742661644932
Energy: 0.41792855939386625
Energy: 0.4484066396527774
Energy: 0.48861327352620976
Energy: 0.44841409074860794
Energy: 0.44879237091901125
Energy: 0.48914747648136847
Energy: 0.48641394478888367
Energy: 0.4484316735559757
Energy: 0.49037574320599064
Energy: 0.4840846984543969
Energy: 0.48586485695382603
Energy: 0.4887722391492483
Energy: 0.5116066236678524
Energy: 0.48513927422075637
Energy: 0.6117306221236151
Energy: 0.43441965626824325
Energy: 0.41823510988693613
Energy: 0.41845041131292615
Energy: 0.43452458685604645
Energy: 0.4179195421677606
Energy: 0.4896274249427199
Energy: 0.43439118007643784
Energy: 0.4343869777478463
Energy: 0.4843032676015059
Energy: 0.4360958516448083
Energy: 0.4748970963300924
Energy: 0.5348880770552602
Energy: 0.49125734075204663
Energy: 0.45787805937455445
Energy: 0.5354810167178847
Energy: 0.4916712890107124
Energy: 0.45826359997001753
Energy: 0.4156452729884498
Energy: 0.4968276120033167
Energy: 0.45906427645135506
Energy: 0.41466737194768416
Energy: 0.4184425494168835
Energy: 0.4141318201653393
Energy: 0.4140040553322666
Energy: 0.4945059800212823
Energy: 0.4957091708881981
Energy: 0.41411195663873357
Energy: 0.4952720069009967
Energy: 0.49513382947207973
Energy: 0.5519836219405473
Energy: 0.41414167900976073
Energy: 0.4947288146136212
Energy: 0.49578240900083687
Energy: 0.4142427357924648
Energy: 0.4943982556675541
Energy: 0.4156099596828537
Energy: 0.41401324569380693
Energy: 0.41408356586297435
Energy: 0.4162590667255386
Energy: 0.416196074683046
Energy: 0.45881338232573887
Energy: 0.43375347151431654
Energy: 0.46439351346143276
Energy: 0.45971406383347846
Energy: 0.4571990886085395
Energy: 0.5171216354941889
Energy: 0.4589686023726914
Energy: 0.435118996620806
Energy: 0.510344111992444
Energy: 0.5100658959216369
Energy: 0.43534229239400746
Energy: 0.4839691206312405
Energy: 0.43461192086066874
Energy: 0.43447145270710763
Energy: 0.5114866078750254
Energy: 0.4691129119519413
Energy: 0.43452229579769297
Energy: 0.45747288031943095
Energy: 0.4344225681650715
Energy: 0.5389497584525197
Energy: 0.4880608999373482
Energy: 0.4850863356632504
Energy: 0.5304960436743732
Energy: 0.48820998965302526
Energy: 0.4854177676230797
Energy: 0.4142084350882627
Energy: 0.4874841173528091
Energy: 0.4874822497591294
Energy: 0.43494530880558613
Energy: 0.48748104960992106
Energy: 0.4336193682000796
Energy: 0.444424556003104
Energy: 0.5190186943147354
Energy: 0.4872186040592469
Energy: 0.4417537694572668
Energy: 0.5655630743896077
Energy: 0.43447058063698685
Energy: 0.5346020987974391
Energy: 0.48735415533008764
Energy: 0.4842146806108377
Energy: 0.5352901604059447
Energy: 0.46536172348769556
Energy: 0.48698351898620396
Energy: 0.6387389575756733
Energy: 0.5096680757088282
Energy: 0.5029497849226888
Energy: 0.6382844026903507
Energy: 0.4346503952016386
Energy: 0.49073460631364463
Energy: 0.5685252740274673
Energy: 0.48821446090781395
Energy: 0.4873248806822753
Energy: 0.5696368179457428
Energy: 0.48861310666615376
Energy: 0.48705459000720364
Energy: 0.4824270935788504
Energy: 0.522945073073738
Energy: 0.5561443573171192
Energy: 0.4485985127823683
Energy: 0.5667669249741257
Energy: 0.4483993776265388
Energy: 0.4795033040136216
Energy: 0.4875749597803057
Energy: 0.4875794342009371
Energy: 0.4796991749147901
Energy: 0.5349545323480699
Energy: 0.5237219858064858
Energy: 0.5656670721526311
Energy: 0.449399685569364
Energy: 0.4878104795087543
Energy: 0.5664812633696128
Energy: 0.4787709037551432
Energy: 0.4873378911196103
Energy: 0.48748833356481236
Energy: 0.41776478695937597
Energy: 0.44848755888492686
Energy: 0.4873923497962844
Energy: 0.4178275124103379
Energy: 0.4485371859010544
Energy: 0.48923006195354424
Energy: 0.48631079575707237
Energy: 0.4861241603167648
Energy: 0.4899900469473678
Energy: 0.4854801578098831
Energy: 0.4883619290569623
Energy: 0.4485715423811476
Energy: 0.5305501073560097
Energy: 0.435304387049402
Energy: 0.4183334271389222
Energy: 0.5381729357820564
Energy: 0.4179010454963951
Energy: 0.43661256731389303
Energy: 0.43593755996171346
Energy: 0.43434940914458037
Energy: 0.43673785915625035
Energy: 0.4359854736216684
Energy: 0.4343773970641704
Energy: 0.5359856801255771
Energy: 0.506317869387444
Energy: 0.5081991511200334
Energy: 0.5173501261577759
Energy: 0.43448640099331765
Energy: 0.5073984896594738
Energy: 0.41410814296081155
Energy: 0.49105603936106096
Energy: 0.4586913905677746
Energy: 0.41420826421862306
Energy: 0.49161128693011236
Energy: 0.4583929134499707
Energy: 0.41666131831167186
Energy: 0.4959847646877536
Energy: 0.4944747566027123
Energy: 0.4172535583965256
Energy: 0.49562535740168306
Energy: 0.4581080541341063
Energy: 0.552494692131837
Energy: 0.4959308429414821
Energy: 0.49404629694154883
Energy: 0.5211691586780478
Energy: 0.49866287589312913
Energy: 0.49275327133217456
Energy: 0.43391170192637907
Energy: 0.41543501932050675
Energy: 0.41380778186648925
Energy: 0.43400178146588936
Energy: 0.41561752146448616
Energy: 0.41412313532669154
Energy: 0.5909878065149433
Energy: 0.4570145679522962
Energy: 0.45730169383056574
Energy: 0.4576587793878886
Energy: 0.4132043764725142
Energy: 0.45672567138715037
Energy: 0.4348832738935183
Energy: 0.5069327639369423
Energy: 0.5067438425476837
Energy: 0.43475372489713304
Energy: 0.5077780089325112
Energy: 0.5063479807075145
Energy: 0.4342151763074918
Energy: 0.4565734099220405
Energy: 0.4340821412749165
Energy: 0.43432329801396014
Energy: 0.45727540938612343
Energy: 0.43411108406344234
Energy: 0.5352792993811826
Energy: 0.4855664935414293
Energy: 0.43499686015274114
Energy: 0.5364432533850307
Energy: 0.4894427656567322
Energy: 0.43462057520211833
Energy: 0.4741368478611763
Energy: 0.48837535142087374
Energy: 0.48741706419259817
Energy: 0.4649399067000671
Energy: 0.48862215270704884
Energy: 0.48737865303645955
Energy: 0.6451667776805247
Energy: 0.5652681461813847
Energy: 0.433614690913898
Energy: 0.4342996668743977
Energy: 0.5656285382968643
Energy: 0.4345565899533313
Energy: 0.5382381865018431
Energy: 0.4873426746012968
Energy: 0.48734765934290086
Energy: 0.4907674750054873
Energy: 0.5218574527026518
Energy: 0.46310510882323475
Energy: 0.5357906626806999
Energy: 0.43366938383596565
Energy: 0.4911810000854062
Energy: 0.5352173783213198
Energy: 0.4339385435857527
Energy: 0.518592263904081
Energy: 0.5649080086698899
Energy: 0.46659540808869987
Energy: 0.48661171116599966
Energy: 0.5660610642849898
Energy: 0.5202258764124222
Energy: 0.48743768324325987
Energy: 0.4787212755179125
Energy: 0.5194272928627416
Energy: 0.48766867485318477
Energy: 0.4795109574411678
Energy: 0.5202374304923474
Energy: 0.5239106438611967

minimum gb energy = 0.4132043764725142 eV
minimum distance =  2.59794997675363 Angstroms
sigma value = 57


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

Energy: 0.6212600880300421
Energy: 0.519274045237363
Energy: 0.45604875425832553
Energy: 0.42091046219383554
Energy: 0.6383413329139208
Energy: 0.45520467530958714
Energy: 0.5132996857131957
Energy: 0.4751908216169158
Energy: 0.47709247056657583
Energy: 0.4766929483511857
Energy: 0.4729472272707316
Energy: 0.4740865674038579
Energy: 0.535909295679943
Energy: 0.4933661556243841
Energy: 0.4061813829035894
Energy: 0.5368422592146287
Energy: 0.40662099894034365
Energy: 0.43766083238412495
Energy: 0.4740299961960445
Energy: 0.4065821938914061
Energy: 0.43785047972025587
Energy: 0.4743209809229475
Energy: 0.4796213659748158
Energy: 0.4378187912974379
Energy: 0.44683454826026386
Energy: 0.42600564733062696
Energy: 0.4693619920127631
Energy: 0.44635355465244614
Energy: 0.4985981053214466
Energy: 0.47112923209464924
Energy: 0.5726360547648874
Energy: 0.4228176954848881
Energy: 0.40612851365108144
Energy: 0.48445961030527684
Energy: 0.4227862231064849
Energy: 0.40627748759805477
Energy: 0.5180634306294769
Energy: 0.42795586963490345
Energy: 0.42984364584432383
Energy: 0.5099691973161044
Energy: 0.42650281074620205
Energy: 0.457183273591876
Energy: 0.5033325413467402
Energy: 0.46320660230844635
Energy: 0.46586497611600913
Energy: 0.5039741845128639
Energy: 0.46520469122443586
Energy: 0.44477423091151763
Energy: 0.39966117386961675
Energy: 0.4753519195853577
Energy: 0.398074384172687
Energy: 0.4003191198540679
Energy: 0.5168863399982763
Energy: 0.3978861206817647
Energy: 0.3985003995976726
Energy: 0.47290317943498494
Energy: 0.46787485600488693
Energy: 0.3985378470140493
Energy: 0.4685107062395963
Energy: 0.4695387716430669
Energy: 0.5358098187617402
Energy: 0.3862897853890234
Energy: 0.4629642752518964
Energy: 0.45998300644244866
Energy: 0.386352424929071
Energy: 0.46312625314640987
Energy: 0.5122985323678115
Energy: 0.3905191791074624
Energy: 0.38604807201581615
Energy: 0.5128392682195879
Energy: 0.3905656524331025
Energy: 0.46018441924431186
Energy: 0.45801941793968404
Energy: 0.4584408671520312
Energy: 0.4537709527937759
Energy: 0.46170434081980727
Energy: 0.4619886738157516
Energy: 0.4560878759819491
Energy: 0.38620136369164326
Energy: 0.46280486937476273
Energy: 0.38591986963133185
Energy: 0.38728568487646725
Energy: 0.5127193099468803
Energy: 0.3860421088350522
Energy: 0.38619418116408505
Energy: 0.46218947646312397
Energy: 0.46159133876665753
Energy: 0.38607784891496527
Energy: 0.4621439177005156
Energy: 0.46058699193286207
Energy: 0.5057035622436091
Energy: 0.39853669362099325
Energy: 0.46869138831282875
Energy: 0.46954503013023025
Energy: 0.40435871467775775
Energy: 0.4671898722851005
Energy: 0.40610420585490603
Energy: 0.40349554976188684
Energy: 0.3980701467508486
Energy: 0.46350845017221026
Energy: 0.4029656796119552
Energy: 0.43779036653209524
Energy: 0.4229377258546361
Energy: 0.43815523833473613
Energy: 0.4397630662557606
Energy: 0.46570749115413435
Energy: 0.4826876686920378
Energy: 0.43764257157355657
Energy: 0.423427578168181
Energy: 0.4446498346785375
Energy: 0.4230066071338837
Energy: 0.42415448176542486
Energy: 0.5128214547653841
Energy: 0.4230715251369231
Energy: 0.5156601487222356
Energy: 0.43724961068738105
Energy: 0.44545399495533194
Energy: 0.5127208301092498
Energy: 0.40031360180475184
Energy: 0.5132969485689423
Energy: 0.5125472877603433
Energy: 0.47755557278509625
Energy: 0.47295929032161643
Energy: 0.5065834579732476
Energy: 0.47740752604569126
Energy: 0.471290534761958
Energy: 0.47909899859281585
Energy: 0.4712476970734689
Energy: 0.44828654661794215
Energy: 0.49403647319185834
Energy: 0.4768063693343254
Energy: 0.42270973109556903
Energy: 0.4306521668871837
Energy: 0.5006878334155691
Energy: 0.4713920609036392
Energy: 0.47430884368073456
Energy: 0.5366329229490974
Energy: 0.47120214363782814
Energy: 0.5094800836556901
Energy: 0.42747408582622576
Energy: 0.46710020485034437
Energy: 0.5102874195437133
Energy: 0.4996567631597678
Energy: 0.47165963797155497
Energy: 0.5392914920758471
Energy: 0.4224121817727697
Energy: 0.42268768909263554
Energy: 0.5401479411525377
Energy: 0.42307466545655864
Energy: 0.4710871277043243
Energy: 0.5398485284865041
Energy: 0.4771170019256727
Energy: 0.4742517352321411
Energy: 0.5402268371729694
Energy: 0.47501258539654956
Energy: 0.4721917026011734
Energy: 0.6155120265605142
Energy: 0.5016736477118167
Energy: 0.4382480417188244
Energy: 0.40651388238619796
Energy: 0.5392402678452786
Energy: 0.4378288194920008

minimum gb energy = 0.38591986963133185 eV
minimum distance =  2.60965178766227 Angstroms
sigma value = 43


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

Energy: 0.5681048249552372
Energy: 0.4703052887000259
Energy: 0.4184435024281413
Energy: 0.43655172714744256
Energy: 0.520056475843874
Energy: 0.3919985367534047
Energy: 0.4544131150908929
Energy: 0.4239488363497294
Energy: 0.42369294511050337
Energy: 0.42431721501312103
Energy: 0.4253064759081179
Energy: 0.4208035309560424
Energy: 0.4718936615825118
Energy: 0.42577058664368433
Energy: 0.3730804320667129
Energy: 0.4726754667564843
Energy: 0.4270280537581301
Energy: 0.37158107111650157
Energy: 0.4259262326285868
Energy: 0.37492270767899655
Energy: 0.3734368017723879
Energy: 0.4266774444389996
Energy: 0.44663612538006076
Energy: 0.3986158882840939
Energy: 0.4283870581068775
Energy: 0.3854624686287988
Energy: 0.38542205426264325
Energy: 0.4282464339524708
Energy: 0.4155943543994045
Energy: 0.4121907098509073
Energy: 0.5346147878662367
Energy: 0.3853416065222965
Energy: 0.37158733577229774
Energy: 0.407059899157541
Energy: 0.3853737271774116
Energy: 0.3525025607094788
Energy: 0.4514615940059858
Energy: 0.385944886125767
Energy: 0.38551926559294736
Energy: 0.3937972830044912
Energy: 0.38846627630870323
Energy: 0.3857907810585447
Energy: 0.4451138915112755
Energy: 0.4007989442383612
Energy: 0.4103300579007508
Energy: 0.4451535637377826
Energy: 0.40073097211277964
Energy: 0.4096333947278849
Energy: 0.3633608189924977
Energy: 0.40961976382226606
Energy: 0.3624000551809804
Energy: 0.3642280298373088
Energy: 0.4465342735519926
Energy: 0.36245346762824576
Energy: 0.36264307029972576
Energy: 0.40459931702965796
Energy: 0.41081276797812016
Energy: 0.36237398790011155
Energy: 0.3866438133358349
Energy: 0.4181274151144201
Energy: 0.34113990792069643
Energy: 0.3466141372793467
Energy: 0.37949582926024505
Energy: 0.39630838091835935
Energy: 0.3467371358961224
Energy: 0.4017255945811769
Energy: 0.44355755239327993
Energy: 0.34663901485786186
Energy: 0.3467289263623998
Energy: 0.4238514678509608
Energy: 0.3467545330180809
Energy: 0.40728131284970764
Energy: 0.4385570032028231
Energy: 0.3958806891772172
Energy: 0.3974019400238931
Energy: 0.4392552804084556
Energy: 0.39550206227838125
Energy: 0.3986323962936075
Energy: 0.3369575555483405
Energy: 0.42518836714450126
Energy: 0.3364891395803945
Energy: 0.3378266946582579
Energy: 0.4388872767986297
Energy: 0.33665911692339734
Energy: 0.336401294140751
Energy: 0.39163956789315685
Energy: 0.3959682995005008
Energy: 0.33642050116602235
Energy: 0.39797628902398197
Energy: 0.3991032459073449
Energy: 0.4375859782469912
Energy: 0.3318516842030884
Energy: 0.3317199904242628
Energy: 0.38891005095469033
Energy: 0.33208621256804605
Energy: 0.39538547723463774
Energy: 0.43980303282844596
Energy: 0.33180976479843416
Energy: 0.3318259222487108
Energy: 0.3962587263236027
Energy: 0.3317873021028759
Energy: 0.39608592818210964
Energy: 0.43860438000097035
Energy: 0.38773746782844204
Energy: 0.3901020668071759
Energy: 0.4395693840254723
Energy: 0.3917964105472105
Energy: 0.39906490951668305
Energy: 0.3317886412459378
Energy: 0.4360710532120305
Energy: 0.3321075633335238
Energy: 0.3329205417010515
Energy: 0.43829311129176574
Energy: 0.3317845513892826
Energy: 0.4370024729593218
Energy: 0.3934892512847588
Energy: 0.38667408698228534
Energy: 0.43800941888395545
Energy: 0.3934942873475857
Energy: 0.3989447581070035
Energy: 0.44022154166359306
Energy: 0.33672040135321935
Energy: 0.33668868923131284
Energy: 0.3961007601697561
Energy: 0.3366213772521932
Energy: 0.39883747297971406
Energy: 0.3343496684490152
Energy: 0.3368232856083127
Energy: 0.33641996651166645
Energy: 0.3988287322861966
Energy: 0.33690789045275504
Energy: 0.3989001182327746
Energy: 0.34647368834864206
Energy: 0.3976484762943045
Energy: 0.4031050372694149
Energy: 0.3464891300863167
Energy: 0.3994269872134074
Energy: 0.40304408179958834
Energy: 0.3467711536689511
Energy: 0.44369633785543955
Energy: 0.3467431757338219
Energy: 0.3477588634804122
Energy: 0.44387944593465256
Energy: 0.3467781032180712
Energy: 0.44194551773982793
Energy: 0.3983051410299109
Energy: 0.406514559678727
Energy: 0.44293461461115047
Energy: 0.3981147127155047
Energy: 0.40656236308187127
Energy: 0.4523977485958943
Energy: 0.36284799698032716
Energy: 0.3626631973538562
Energy: 0.4126592247081157
Energy: 0.36278912330492596
Energy: 0.4187448486157405
Energy: 0.34782657179612114
Energy: 0.36243705502823503
Energy: 0.36253998762100514
Energy: 0.4028286912759299
Energy: 0.3623730583290844
Energy: 0.379055849160514
Energy: 0.37598317626020644
Energy: 0.3928919394774039
Energy: 0.398419265851088
Energy: 0.38557904422177197
Energy: 0.3999994447514157
Energy: 0.39945013117161193
Energy: 0.3864758075918032
Energy: 0.39339718632155934
Energy: 0.38559228020952974
Energy: 0.38719552915506544
Energy: 0.4519109345822555
Energy: 0.385557361397596
Energy: 0.4527073910750482
Energy: 0.4061471221906467
Energy: 0.3931929808198541
Energy: 0.45047900365680965
Energy: 0.4070898606743928
Energy: 0.36275687491345837
Energy: 0.44931839885756875
Energy: 0.4242925148663033
Energy: 0.4236590166500577
Energy: 0.38616728215505036
Energy: 0.4269014895461749
Energy: 0.42144284410084304
Energy: 0.551018451183662
Energy: 0.42358304279194914
Energy: 0.40462850232676495
Energy: 0.42126860646410313
Energy: 0.4236195051577838
Energy: 0.3625255872790488
Energy: 0.4217800270401406
Energy: 0.42380911079751843
Energy: 0.42372242233885044
Energy: 0.4604114819612845
Energy: 0.47139205317992283
Energy: 0.42356973209629417
Energy: 0.4533910540092316
Energy: 0.3856039071967811
Energy: 0.3855397733311175
Energy: 0.4542002411156404
Energy: 0.45305971636571246
Energy: 0.4235784832237717
Energy: 0.4723242474549824
Energy: 0.43346208895597144
Energy: 0.386293864098852
Energy: 0.47309062075554453
Energy: 0.3639838856994993
Energy: 0.3857333826152617
Energy: 0.4702405897099431
Energy: 0.42379528021092455
Energy: 0.4235041421800897
Energy: 0.4266489159114697
Energy: 0.46378878160644593
Energy: 0.42397174649714

minimum gb energy = 0.3317199904242628 eV
minimum distance =  2.58702091633383 Angstroms
sigma value = 81


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

Energy: 0.1597552657681653
Energy: 0.18094705745806555
Energy: 0.0834603089909551
Energy: 0.08462146421630101
Energy: 0.2735024450454968
Energy: 0.15978591213165183
Energy: 0.18169546987939417
Energy: 0.24339828983846692
Energy: 0.24339833432114635
Energy: 0.283699022373447
Energy: 0.24404802606710385
Energy: 0.24051490814907045
Energy: 0.258469429709323
Energy: 0.08347138803415745
Energy: 0.08352362718453055
Energy: 0.281544387778598
Energy: 0.08337293021926366
Energy: 0.08382114779437447
Energy: 0.2527740233260771
Energy: 0.08350206981599502
Energy: 0.08345093072752216
Energy: 0.25196554900267676
Energy: 0.08350511551543244
Energy: 0.10633287277526907
Energy: 0.10594820948683013
Energy: 0.26452616953963365
Energy: 0.2644461314356049
Energy: 0.10665064485604256
Energy: 0.26401402935577056
Energy: 0.2651513020422606
Energy: 0.08378109935058549
Energy: 0.2421280700468354
Energy: 0.0837029837037587
Energy: 0.08489435003388235
Energy: 0.15904925407147166
Energy: 0.08339534920305934
Energy: 0.2724287459326741
Energy: 0.2420978729072396
Energy: 0.24209931495625772
Energy: 0.2700770296709855
Energy: 0.24202674898616933
Energy: 0.24296100927794048
Energy: 0.2727665919780424
Energy: 0.08343280297536695
Energy: 0.08349589807817515
Energy: 0.2718015130663143
Energy: 0.08336796866557367
Energy: 0.08356736063115572
Energy: 0.23800537121155502
Energy: 0.083537885114234
Energy: 0.10681123383060045
Energy: 0.2623583936001925
Energy: 0.08339247097475609
Energy: 0.10729216412129323
Energy: 0.1598347067909651
Energy: 0.26437549204876426
Energy: 0.2659230680765774
Energy: 0.0835172412139061
Energy: 0.2659145120114014
Energy: 0.2624160202948094

minimum gb energy = 0.08336796866557367 eV
minimum distance =  2.75965023998593 Angstroms
sigma value = 3


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

Energy: 0.491390796335284
Energy: 0.4824688620206801
Energy: 0.4760026805521478
Energy: 0.44906138602080725
Energy: 0.6120748226637289
Energy: 0.4491642449012757
Energy: 0.4460949135442117
Energy: 0.45220046027262956
Energy: 0.4518232996690625
Energy: 0.45236046132112484
Energy: 0.4528337116554769
Energy: 0.45651420123058395
Energy: 0.4665332842919638
Energy: 0.4424923315401047
Energy: 0.4423254229105152
Energy: 0.46678725899001244
Energy: 0.4530597450665762
Energy: 0.45586109272941455
Energy: 0.4326474854686636
Energy: 0.4418198039060058
Energy: 0.4422728712492408
Energy: 0.4336392832750206
Energy: 0.3962366666111936
Energy: 0.4558207311648582
Energy: 0.3951587335112199
Energy: 0.4521708439326895
Energy: 0.4565118663950984
Energy: 0.3951581478362323
Energy: 0.4529117562753062
Energy: 0.4563776393474455
Energy: 0.4292272202447269
Energy: 0.4625855268442366
Energy: 0.443244663965955
Energy: 0.4249542946298252
Energy: 0.44633571094275226
Energy: 0.42395546482922436
Energy: 0.42827727670923665
Energy: 0.39540384574651916
Energy: 0.4321924477685414
Energy: 0.42715645392529494
Energy: 0.3969094283233832
Energy: 0.4588979537566787
Energy: 0.43272526378952764
Energy: 0.4239988446533054
Energy: 0.42385222655560667
Energy: 0.4326269511161297
Energy: 0.41272459700309033
Energy: 0.4062767325606979
Energy: 0.42697424093593656
Energy: 0.4230869582931871
Energy: 0.4431404127841245
Energy: 0.43408097420403857
Energy: 0.37234146124113887
Energy: 0.44322285569077774
Energy: 0.3722450526670229
Energy: 0.3954026170943138
Energy: 0.3952118851454102
Energy: 0.37231015827456426
Energy: 0.39676819896898474
Energy: 0.4064801829973327
Energy: 0.41464723973415063
Energy: 0.4244454895592908
Energy: 0.42401959170794495
Energy: 0.41363238935937546
Energy: 0.41501140228082883
Energy: 0.41312892046428723
Energy: 0.3734323394184759
Energy: 0.42343777376547065
Energy: 0.4244522635027157
Energy: 0.37340903648857005
Energy: 0.4154562204217362
Energy: 0.37277574534468044
Energy: 0.37173679013580485
Energy: 0.40707461521837957
Energy: 0.41359161959191704
Energy: 0.37145931934919535
Energy: 0.40732972466707523
Energy: 0.37118190978585247
Energy: 0.4111315951389808
Energy: 0.4196977246853811
Energy: 0.4124301932929764
Energy: 0.4128441699693402
Energy: 0.4201261084148527
Energy: 0.4134859721296117
Energy: 0.4092187678844878
Energy: 0.3572928863679275
Energy: 0.3570756629385209
Energy: 0.40693771653654986
Energy: 0.35853225988925946
Energy: 0.3571468573509901
Energy: 0.4070753750971656
Energy: 0.4090293381638369
Energy: 0.40853619932525037
Energy: 0.406772866312014
Energy: 0.4060457149952441
Energy: 0.40917907312156027
Energy: 0.350921703722856
Energy: 0.4072963248385955
Energy: 0.40635637892380655
Energy: 0.35088279301623965
Energy: 0.407855795144103
Energy: 0.35064373473452826
Energy: 0.35097746104316047
Energy: 0.4053663070330892
Energy: 0.4079695719283206
Energy: 0.35091582039975805
Energy: 0.4053178141546116
Energy: 0.41748100939549615
Energy: 0.41964532182175224
Energy: 0.41691523883391723
Energy: 0.40600507112147144
Energy: 0.40530720339256554
Energy: 0.4184362454792371
Energy: 0.40754906796089785
Energy: 0.4031286776150321
Energy: 0.35061917743289345
Energy: 0.3506651200191013
Energy: 0.4041601736645568
Energy: 0.3525364835229534
Energy: 0.35018926898772823
Energy: 0.406038053721363
Energy: 0.4066501799310068
Energy: 0.40856134253244714
Energy: 0.4062041628135806
Energy: 0.40704560196566975
Energy: 0.40711869709398135
Energy: 0.35861901591365436
Energy: 0.4068835736658619
Energy: 0.40800268104802334
Energy: 0.3592836416242155
Energy: 0.406873902110768
Energy: 0.3570646553275114
Energy: 0.3588729199989596
Energy: 0.4134884856423029
Energy: 0.413774266477154
Energy: 0.3588467159259742
Energy: 0.4121918830537258
Energy: 0.41235476587919573
Energy: 0.40931213977239317
Energy: 0.3717072174220792
Energy: 0.3717037504468866
Energy: 0.40907540516254026
Energy: 0.3717232153736926
Energy: 0.40848880174070684
Energy: 0.42068920391058806
Energy: 0.37178194110116064
Energy: 0.3720702064807451
Energy: 0.41736254753244345
Energy: 0.37205335729843847
Energy: 0.37224880629720175
Energy: 0.4162718497448271
Energy: 0.4164148382699394
Energy: 0.41638208632358953
Energy: 0.41630404416938405
Energy: 0.4165055566923088
Energy: 0.4240523849648569
Energy: 0.3954349478634725
Energy: 0.4158027530552943
Energy: 0.4162916660243356
Energy: 0.3963831496051916
Energy: 0.4220257111110069
Energy: 0.395134878836465
Energy: 0.3817799702194337
Energy: 0.4341406235085038
Energy: 0.4334156280868902
Energy: 0.38174796208146466
Energy: 0.4012900190559748
Energy: 0.4330516349130455
Energy: 0.41986298237271447
Energy: 0.4324625054988339
Energy: 0.42134603943327936
Energy: 0.417468233308304
Energy: 0.43260657913530115
Energy: 0.41618346762755287
Energy: 0.39662208967275675
Energy: 0.4253321067330374
Energy: 0.4225630764984694
Energy: 0.3970354164346992
Energy: 0.4280589404195074
Energy: 0.4228648504349433
Energy: 0.42325816235472585
Energy: 0.4303224105568726
Energy: 0.4299819636521713
Energy: 0.4234919137151569
Energy: 0.4165754776346078
Energy: 0.4299599254171188
Energy: 0.4667276657770786
Energy: 0.42971995396358076
Energy: 0.45411742610967015
Energy: 0.4669245646404992
Energy: 0.41102806080993515
Energy: 0.4565881564244825
Energy: 0.4085207168196976
Energy: 0.4326408657012184
Energy: 0.43228023181626474
Energy: 0.40844379732326946
Energy: 0.4339633649444306
Energy: 0.4555658242628706

minimum gb energy = 0.35018926898772823 eV
minimum distance =  2.66377682635632 Angstroms
sigma value = 67


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

Energy: 0.562100230781768
Energy: 0.5395756550796155
Energy: 0.528142383895945
Energy: 0.5188928875218672
Energy: 0.6640036002261493
Energy: 0.5299235164371756
Energy: 0.5070690407321835
Energy: 0.5200732829576968
Energy: 0.5179283020162384
Energy: 0.5304365622348083
Energy: 0.519650021140464
Energy: 0.511373933996439
Energy: 0.5316879939792356
Energy: 0.5012923012067474
Energy: 0.521047618124619
Energy: 0.5321515386911513
Energy: 0.5144862437673826
Energy: 0.5212991625770445
Energy: 0.4777850206735072
Energy: 0.5209940302664627
Energy: 0.5212220409514989
Energy: 0.4783961927311033
Energy: 0.4827408166606624
Energy: 0.52140677654736
Energy: 0.47933412009224774
Energy: 0.5222741231256693
Energy: 0.5258142709963656
Energy: 0.47861802746273197
Energy: 0.5391297579102091
Energy: 0.522086374023984
Energy: 0.5402084581229795
Energy: 0.5277266843149766
Energy: 0.49998311151494546
Energy: 0.5009696784934939
Energy: 0.5358575536429855
Energy: 0.5016223880332763
Energy: 0.4825220694219415
Energy: 0.4779055231263011
Energy: 0.4861486849369171
Energy: 0.47907268871456127
Energy: 0.4388885068821736
Energy: 0.48500705081694034
Energy: 0.48113671519361567
Energy: 0.48205335852539294
Energy: 0.48584685177950615
Energy: 0.4815766304710275
Energy: 0.481563734778757
Energy: 0.4828648432341
Energy: 0.4863632600413471
Energy: 0.5013385547831752
Energy: 0.5052633484159128
Energy: 0.49417151509470897
Energy: 0.43545564138502063
Energy: 0.5038304656088398
Energy: 0.4861841163700354
Energy: 0.438786315383183
Energy: 0.4353468189663909
Energy: 0.4870264464278829
Energy: 0.43630185845856156
Energy: 0.43501121943306575
Energy: 0.4849655856742452
Energy: 0.4856087753708297
Energy: 0.4847621570355256
Energy: 0.4821141897970893
Energy: 0.4916408931905019
Energy: 0.48567450451620664
Energy: 0.4195510861871183
Energy: 0.4841009470668395
Energy: 0.48310901207067397
Energy: 0.41963881116510715
Energy: 0.4795554729743544
Energy: 0.4153755913157035
Energy: 0.4196566126983679
Energy: 0.4801150316339013
Energy: 0.47895197183331495
Energy: 0.4155190270600237
Energy: 0.4766427297571655
Energy: 0.41502583224486195
Energy: 0.4715439369027618
Energy: 0.4859987802380359
Energy: 0.47771466333516144
Energy: 0.47650636160004783
Energy: 0.4838617916141205
Energy: 0.4786686481754286
Energy: 0.472075408404333
Energy: 0.41779497100226093
Energy: 0.41565095850178635
Energy: 0.4725674771539455
Energy: 0.41667425128460245
Energy: 0.4150816222764487
Energy: 0.4720696375004951
Energy: 0.4867748387009034
Energy: 0.4843043820370084
Energy: 0.48494642968512686
Energy: 0.4522950151840678
Energy: 0.483097066755271
Energy: 0.437386664259492
Energy: 0.4799331590779434
Energy: 0.477855913699278
Energy: 0.436969292696405
Energy: 0.4755101100889729
Energy: 0.4350833884707405
Energy: 0.4363539966633153
Energy: 0.49379995062789966
Energy: 0.5030021878923873
Energy: 0.4360934312247912
Energy: 0.453456344986966
Energy: 0.47625682097858074
Energy: 0.4748185330177458
Energy: 0.5122404298733473
Energy: 0.4871800789485296
Energy: 0.48731426130025146
Energy: 0.5152404696600567
Energy: 0.4872664693148718
Energy: 0.47612244386899893
Energy: 0.4803589732610126
Energy: 0.48466079118575145
Energy: 0.476143118236823
Energy: 0.4820454571764981
Energy: 0.48375041246299216
Energy: 0.4726668000497366
Energy: 0.5132397278595523
Energy: 0.5134337434039654
Energy: 0.4731706828429736
Energy: 0.4588072121059917
Energy: 0.5187142664670216
Energy: 0.5331149600268362
Energy: 0.48678418435148635
Energy: 0.5133787860437896
Energy: 0.5321249569349951
Energy: 0.4993069829838944
Energy: 0.5136808436679929
Energy: 0.5073874913031973
Energy: 0.4792748568749802
Energy: 0.5189129032832444
Energy: 0.506784280652205
Energy: 0.4827614032692825
Energy: 0.5222889679877198

minimum gb energy = 0.41502583224486195 eV
minimum distance =  2.60791842731775 Angstroms
sigma value = 33


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

Energy: 0.6603713812195982
Energy: 0.6317609353020509
Energy: 0.6110962773856359
Energy: 0.6625570229083124
Energy: 0.6027201118417157
Energy: 0.5573006847417326
Energy: 0.524417971773276
Energy: 0.5450281416647113
Energy: 0.5443775898548306
Energy: 0.5588135465370534
Energy: 0.5603814068443502
Energy: 0.5453531396128216
Energy: 0.5599220353028412
Energy: 0.5520690135976818
Energy: 0.5518494775970325
Energy: 0.5604139366146571
Energy: 0.5473335227649289
Energy: 0.5434087207222755
Energy: 0.49364264157162036
Energy: 0.5524391057311591
Energy: 0.5519216543347516
Energy: 0.4941808459814265
Energy: 0.49701947747541286
Energy: 0.552106317161325
Energy: 0.4944967158865294
Energy: 0.5454093851507384
Energy: 0.5446261656276653
Energy: 0.49428810968904635
Energy: 0.5599520301358054
Energy: 0.5531933627512048
Energy: 0.5444524920622241
Energy: 0.5725076105717224
Energy: 0.5675946007515875
Energy: 0.54961447889967
Energy: 0.5873705789274022
Energy: 0.5297719382667337
Energy: 0.4936771108487103
Energy: 0.5072836372986899
Energy: 0.5541957849101893
Energy: 0.4944147959283046
Energy: 0.497302739731785
Energy: 0.4903096307176063
Energy: 0.4955126005448955
Energy: 0.5297692161581591
Energy: 0.5297129786368575
Energy: 0.49479648954401767
Energy: 0.529699273502779
Energy: 0.4939951523511239
Energy: 0.5156084763343564
Energy: 0.5297908869026591
Energy: 0.5323746086305987
Energy: 0.5269152878909334
Energy: 0.45411513227772693
Energy: 0.5298971965024365
Energy: 0.5139126065483367
Energy: 0.4544132002893743
Energy: 0.4546330956012989
Energy: 0.5148537240617768
Energy: 0.4544001982653732
Energy: 0.4541934901665071
Energy: 0.5146009741178198
Energy: 0.5185178253681589
Energy: 0.5195937456994826
Energy: 0.5173498150793774
Energy: 0.516438451944506
Energy: 0.5190323846022116
Energy: 0.4548795965860284
Energy: 0.5174962036107833
Energy: 0.5178360545587182
Energy: 0.45460205684624533
Energy: 0.5147955838214678
Energy: 0.4536986035663042
Energy: 0.4587100050381954
Energy: 0.5313041351876092
Energy: 0.5330932129962603
Energy: 0.45496816455224914
Energy: 0.514587032603661
Energy: 0.4538552949597727
Energy: 0.5190440254230779
Energy: 0.5335999164212849
Energy: 0.5304176903361494
Energy: 0.5237362099597482
Energy: 0.5357614706583469
Energy: 0.5165145373272759
Energy: 0.5175276954535172
Energy: 0.4944809635799217
Energy: 0.4937165791374699
Energy: 0.48784591400524774
Energy: 0.49466366426120384
Energy: 0.5032034882538751
Energy: 0.4925224352676563
Energy: 0.540484831606726
Energy: 0.5404630258152694
Energy: 0.5031056862885247
Energy: 0.4622050412011606
Energy: 0.5529075270613076
Energy: 0.5582372307286992
Energy: 0.5404942191038395
Energy: 0.540353041864571
Energy: 0.5582488328219746
Energy: 0.5400805812183445
Energy: 0.5333882747021973
Energy: 0.5592884867867975
Energy: 0.4953537468410468
Energy: 0.5448951675366818
Energy: 0.5597098998014706
Energy: 0.49436372803330836
Energy: 0.5416825309537829
Energy: 0.6568003964380251
Energy: 0.547579367511699
Energy: 0.5910253461974078
Energy: 0.61436328965003
Energy: 0.5727502614540253
Energy: 0.5332006836197205
Energy: 0.5248852796637885
Energy: 0.545790104084524
Energy: 0.5445030269950307
Energy: 0.5246306396921173
Energy: 0.5598807132831902
Energy: 0.5448201768623887
Energy: 0.5587691239649571
Energy: 0.5521595709226033
Energy: 0.5519785041963042
Energy: 0.5594422576738526
Energy: 0.49738228790761335
Energy: 0.5436036927438819
Energy: 0.4939959754744309
Energy: 0.5520207144134008
Energy: 0.5519493408042261
Energy: 0.49450917168909747
Energy: 0.5477094342144633
Energy: 0.5518690441860428
Energy: 0.49431315078662696
Energy: 0.5451360756943158
Energy: 0.5399479765875522
Energy: 0.4941509541483985
Energy: 0.5603256354473622
Energy: 0.5534686517834368
Energy: 0.6066865329159785
Energy: 0.5863666386388704
Energy: 0.5677758552174514
Energy: 0.5446765533324764
Energy: 0.5863049643974948
Energy: 0.5224789756650179
Energy: 0.4950066395843333
Energy: 0.5053434752400391
Energy: 0.5534355887402737
Energy: 0.4945235080332092
Energy: 0.4975079043166391
Energy: 0.5545623494497853
Energy: 0.4941549972217502
Energy: 0.5301818066778341
Energy: 0.52997647554007
Energy: 0.49483555489707437
Energy: 0.5299790553506978
Energy: 0.49401124456121787
Energy: 0.5142041758762977
Energy: 0.5304138060499072
Energy: 0.5324014884929859
Energy: 0.537098061799997
Energy: 0.45504178242426474
Energy: 0.5301829651397764
Energy: 0.5139965291052044
Energy: 0.4544903157685004
Energy: 0.4542749889478837
Energy: 0.515041673057024
Energy: 0.4548747146034763
Energy: 0.45418876785096823
Energy: 0.5150214089089707
Energy: 0.4882401503209926
Energy: 0.5180180303203696
Energy: 0.517727990627478
Energy: 0.5152948588062255
Energy: 0.5208981617296459
Energy: 0.45445285277109604
Energy: 0.5178741102679217
Energy: 0.5177464708125491
Energy: 0.454484034196667
Energy: 0.5153587894785435
Energy: 0.4533348976484212
Energy: 0.45733995050261617
Energy: 0.5222741987207177
Energy: 0.495153149036764
Energy: 0.45730080781279414
Energy: 0.4869987426824974
Energy: 0.4536305274412667
Energy: 0.5203243344301374
Energy: 0.532577363590377
Energy: 0.5322815536987423
Energy: 0.5151581132744883
Energy: 0.5356071953793535
Energy: 0.5194491506721775
Energy: 0.4869893397313366
Energy: 0.4945435249270446
Energy: 0.4940849509947973
Energy: 0.48764184149545364
Energy: 0.49453568037300183
Energy: 0.5032568481620645
Energy: 0.4989457082101444
Energy: 0.4620204395675298
Energy: 0.5528741274471359
Energy: 0.49926245769039396
Energy: 0.46222618389227066
Energy: 0.5532056472229655
Energy: 0.5582092712106207
Energy: 0.5403284872886849
Energy: 0.5404019038236468
Energy: 0.5582915649398814
Energy: 0.5230549327390542
Energy: 0.5334671489824512
Energy: 0.5596165822550743
Energy: 0.494426373266552
Energy: 0.49387041873815657
Energy: 0.5596627970182494
Energy: 0.49415611284773914
Energy: 0.540065533229078
Energy: 0.6494069982817632
Energy: 0.5583878251796143
Energy: 0.5775314153848436
Energy: 0.6000992625240403
Energy: 0.5473638509933395
Energy: 0.5416119623608021

minimum gb energy = 0.4533348976484212 eV
minimum distance =  2.59501419171496 Angstroms
sigma value = 41


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

Energy: 0.6275268612502752
Energy: 0.6160117158951911
Energy: 0.6444615175957484
Energy: 0.6293158220694696
Energy: 0.6095499397531121
Energy: 0.645390109523901
Energy: 0.5333761047885008
Energy: 0.5663366859944837
Energy: 0.5662462319790397
Energy: 0.5820034060776077
Energy: 0.5851315628566114
Energy: 0.5660688924522146
Energy: 0.582868300433045
Energy: 0.5857237162778998
Energy: 0.5869571272422691
Energy: 0.5835751897096361
Energy: 0.564485631063443
Energy: 0.5652086979704346
Energy: 0.5115830335374565
Energy: 0.5847701797905481
Energy: 0.5856556548422382
Energy: 0.5114110829205765
Energy: 0.5103364298249757
Energy: 0.5661266375050976
Energy: 0.5122362164553794
Energy: 0.5860595719440488
Energy: 0.5666884926554628
Energy: 0.511230639942178
Energy: 0.58313159167873
Energy: 0.5882501894180509
Energy: 0.6019327340351229
Energy: 0.6013642194418439
Energy: 0.6038824231671757
Energy: 0.6001179446054107
Energy: 0.621664924712288
Energy: 0.6036760874452879
Energy: 0.5126550731169659
Energy: 0.5876935646863151
Energy: 0.5872361626350352
Energy: 0.511296093959004
Energy: 0.5850747084427822
Energy: 0.5110490169031378
Energy: 0.5124244939126413
Energy: 0.5748091527617976
Energy: 0.5330163988835859
Energy: 0.5131163407883075
Energy: 0.580995959905997
Energy: 0.511143918282107
Energy: 0.5622897373755653
Energy: 0.58306494373774
Energy: 0.5742294179103988
Energy: 0.5630379517205227
Energy: 0.5331213049840987
Energy: 0.5738731940757791
Energy: 0.536452692629206
Energy: 0.5122350175815122
Energy: 0.5110842930679591
Energy: 0.5357902272068323
Energy: 0.5112960953391914
Energy: 0.5354752837555458
Energy: 0.5289884919633638
Energy: 0.513804831730279
Energy: 0.5869327223840861
Energy: 0.5286735039492482
Energy: 0.48718478365444673
Energy: 0.5864920848400835
Energy: 0.5822925397983774
Energy: 0.572084487091167
Energy: 0.5549604623244162
Energy: 0.5824347499378122
Energy: 0.5878070414313128
Energy: 0.5554197489688149
Energy: 0.5859912590953168
Energy: 0.566131712231456
Energy: 0.5659677214121158
Energy: 0.586458170296897
Energy: 0.5672737763206409
Energy: 0.5662268793526193
Energy: 0.6263527203492182
Energy: 0.5818808237697901
Energy: 0.6284663810092266
Energy: 0.5912583233774551
Energy: 0.5652495579530543
Energy: 0.6309541139301198

minimum gb energy = 0.48718478365444673 eV
minimum distance =  2.60674892859249 Angstroms
sigma value = 11


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

Energy: 0.7906015999324293
Energy: 0.592668213120022
Energy: 0.7666579064096648
Energy: 0.7912015352818571
Energy: 0.6278173719249136
Energy: 0.5798040452897688
Energy: 0.58709213760338
Energy: 0.5423075719384315
Energy: 0.5401471930742138
Energy: 0.6065252843616287
Energy: 0.542428692684288
Energy: 0.5564725438195592
Energy: 0.6059778985191263
Energy: 0.555368072795725
Energy: 0.5558698727453031
Energy: 0.6067111212018987
Energy: 0.5393929089689482
Energy: 0.6138230755982992
Energy: 0.57321935875789
Energy: 0.5445179382118804
Energy: 0.5562730221695061
Energy: 0.573943488293981
Energy: 0.5279191918634364
Energy: 0.5943142973191639
Energy: 0.577966817969212
Energy: 0.5422712901274045
Energy: 0.5420965411192092
Energy: 0.5776056030657691
Energy: 0.5427970612131069
Energy: 0.5472150294152608
Energy: 0.613366707207912
Energy: 0.5695408048218413
Energy: 0.5586025514630328
Energy: 0.5777952240213616
Energy: 0.5689988035441627
Energy: 0.6067434172400987
Energy: 0.5691444941030206
Energy: 0.5901342615521346
Energy: 0.5977859833867135
Energy: 0.5691391230449788
Energy: 0.5808134088365053
Energy: 0.5695666316995639
Energy: 0.5428295609878081
Energy: 0.5780010794759622
Energy: 0.5733195776229058
Energy: 0.5428500017959467
Energy: 0.5780531903484226
Energy: 0.5423067936437439
Energy: 0.5369108455462647
Energy: 0.6063091539809419
Energy: 0.5973074662209785
Energy: 0.5369104550106326
Energy: 0.5729116972373326
Energy: 0.529480290028478
Energy: 0.5467692429088155
Energy: 0.6054924706690397
Energy: 0.6059765038126261
Energy: 0.5468147480082148
Energy: 0.6070801606590515
Energy: 0.5299665038480323
Energy: 0.5449493661098418
Energy: 0.570909851253271
Energy: 0.5563793606759887
Energy: 0.5427004226521425
Energy: 0.5700860338111573
Energy: 0.5422071242454658
Energy: 0.5518015133909154
Energy: 0.5553914899947332
Energy: 0.5714880936123999
Energy: 0.6089282454101472
Energy: 0.7577904276680894
Energy: 0.5933249318137823
Energy: 0.5402187573626195
Energy: 0.5955456675111123
Energy: 0.5888950445351733
Energy: 0.5402173117972279
Energy: 0.6066511572908577
Energy: 0.5560214249242769
Energy: 0.5550244781356141
Energy: 0.6056617908940574
Energy: 0.6059889158641237
Energy: 0.5547487265489599
Energy: 0.6057255857951774
Energy: 0.5728668298299165
Energy: 0.5283056411424166
Energy: 0.5741963654508476
Energy: 0.5739866768790353
Energy: 0.528373308077705
Energy: 0.5780511993701509
Energy: 0.5721107874911607
Energy: 0.5292201801375236
Energy: 0.5895290108137256
Energy: 0.5713232376483703
Energy: 0.5293066878680546
Energy: 0.5791224316735283
Energy: 0.5281287419294982
Energy: 0.5290016624224226
Energy: 0.5784705983576082
Energy: 0.6098712324931045
Energy: 0.528879435875032
Energy: 0.5817874225577403
Energy: 0.6097067284231785
Energy: 0.6476655092503392
Energy: 0.5706587775702482
Energy: 0.5706941052020527
Energy: 0.6483931316297649
Energy: 0.5509544388874977
Energy: 0.5622075652922972
Energy: 0.5564926082739449
Energy: 0.5706168160621194
Energy: 0.5565271075662328
Energy: 0.5564116368470523
Energy: 0.5713404066832736
Energy: 0.5887590916073725
Energy: 0.5742788558815407
Energy: 0.5287780932672568
Energy: 0.5502110287532046
Energy: 0.5745660058647197
Energy: 0.5430717297819274
Energy: 0.5872434884118732
Energy: 0.5706485484539758
Energy: 0.5294196226067016
Energy: 0.5624058735896128
Energy: 0.5713087831093686
Energy: 0.5291090039922418
Energy: 0.5708660596298313
Energy: 0.5414051594483444
Energy: 0.5708287127986118
Energy: 0.5705908544100238
Energy: 0.5412840904933427
Energy: 0.572253276958825
Energy: 0.5583969769652547
Energy: 0.539557011790827
Energy: 0.571120449747535
Energy: 0.6050130163081704
Energy: 0.539658821641887
Energy: 0.5751036827564385
Energy: 0.5728651515839598
Energy: 0.5707577149551297
Energy: 0.5561781445306367
Energy: 0.5846299459783585
Energy: 0.5708801189198048
Energy: 0.5562516301660331
Energy: 0.5830770646581325
Energy: 0.570663360736227
Energy: 0.5626359982628628
Energy: 0.5635022415774509
Energy: 0.5706062224808246
Energy: 0.5754825910608343
Energy: 0.5623647657507322
Energy: 0.5786248056796187
Energy: 0.5288858210434435
Energy: 0.6098772434872243
Energy: 0.5799146313677532
Energy: 0.52891989245944
Energy: 0.6099459931446459
Energy: 0.5781638049915748
Energy: 0.5286239368902952
Energy: 0.5284378276325175
Energy: 0.5780827399963269
Energy: 0.5300619639838462
Energy: 0.5285724834613689
Energy: 0.5780514840556603
Energy: 0.5287941822890917
Energy: 0.5824970907422902
Energy: 0.5791124863406268
Energy: 0.5284011570103395
Energy: 0.5728278275368788
Energy: 0.6055076194661767
Energy: 0.5815895446942391
Energy: 0.5769023134069866
Energy: 0.6054922498671941
Energy: 0.643526616174027
Energy: 0.5763899771105219
Energy: 0.6060294083770537
Energy: 0.5401498406658978
Energy: 0.5560678439971489
Energy: 0.6061911424897461
Energy: 0.5401050926062096
Energy: 0.5876121555446661
Energy: 0.7936734076959592
Energy: 0.5424039444408664
Energy: 0.58623516708534
Energy: 0.794106948017166
Energy: 0.5506731390805064
Energy: 0.5869629799458238

minimum gb energy = 0.5279191918634364 eV
minimum distance =  2.54837178013545 Angstroms
sigma value = 57


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

Energy: 0.7317258241658873
Energy: 0.5385203291306403
Energy: 0.5407244494859305
Energy: 0.7329552751059478
Energy: 0.5104621677051066
Energy: 0.5158624160806261
Energy: 0.49840490692106965
Energy: 0.5342990719507569
Energy: 0.5114356611123074
Energy: 0.5342186622292435
Energy: 0.5340790178482696
Energy: 0.5102699538187084
Energy: 0.5338321626813666
Energy: 0.5267650074962049
Energy: 0.528011671461548
Energy: 0.5345421258641254
Energy: 0.6250448392058965
Energy: 0.5111245553749932
Energy: 0.5109559773018485
Energy: 0.5111056388279972
Energy: 0.5144533815863864
Energy: 0.5116477611797056
Energy: 0.5156907490226376
Energy: 0.511578878430695
Energy: 0.5214218186786614
Energy: 0.5335368903042332
Energy: 0.5116044420018736
Energy: 0.5205400134065071
Energy: 0.5357307040280992
Energy: 0.5105341468135013
Energy: 0.520100647828521
Energy: 0.5228911716159828
Energy: 0.5206501369140029
Energy: 0.5201919097148427
Energy: 0.5237873300388998
Energy: 0.5362864767086638
Energy: 0.5114882384788368
Energy: 0.5141334740067826
Energy: 0.5202267061103929
Energy: 0.5108139957072679
Energy: 0.5141772369290628
Energy: 0.5116744715792084
Energy: 0.5358421214024913
Energy: 0.5201072926393151
Energy: 0.5114238681781196
Energy: 0.5367434867031784
Energy: 0.5212564050731463
Energy: 0.5109895470966113
Energy: 0.4985405219160657
Energy: 0.5111467145054039
Energy: 0.5145144853080176
Energy: 0.4985016931774955
Energy: 0.5128654997653272
Energy: 0.5142915738872025
Energy: 0.4983580146140371
Energy: 0.5339395813772845
Energy: 0.5145126447969695
Energy: 0.49829648021759126
Energy: 0.5350165043622266
Energy: 0.514320287360236
Energy: 0.5356402351388585
Energy: 0.5212376160204527
Energy: 0.5141579658229803
Energy: 0.5365111429402843
Energy: 0.5340003928248266
Energy: 0.5109095063270817
Energy: 0.5116160334352584
Energy: 0.6235274737771063
Energy: 0.5376574406477438
Energy: 0.5118920228189806
Energy: 0.6221897002191382
Energy: 0.5110979453312676
Energy: 0.5145815619997188
Energy: 0.5343687727060302
Energy: 0.5110727236437673
Energy: 0.5102619812497422
Energy: 0.5338070544977918
Energy: 0.5108599620065833
Energy: 0.6284236574922409
Energy: 0.5344544642503912
Energy: 0.5347280274801716
Energy: 0.6292160916294451
Energy: 0.5354944732134842
Energy: 0.511857481202137
Energy: 0.5213959933922188
Energy: 0.5139672977542074
Energy: 0.5107720056864917
Energy: 0.5206487374059562
Energy: 0.5166561189792342
Energy: 0.53080034584388
Energy: 0.5337596050819714
Energy: 0.5142679162110172
Energy: 0.5137247417977961
Energy: 0.5346117599190374
Energy: 0.5164918234541237
Energy: 0.5119062671170602
Energy: 0.49841542565993185
Energy: 0.5103452913225097
Energy: 0.5113182091025592
Energy: 0.49848584533886936
Energy: 0.512963189247576
Energy: 0.5229888435951594

minimum gb energy = 0.49829648021759126 eV
minimum distance =  2.60112996837108 Angstroms
sigma value = 9


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

Energy: 0.843767900568081
Energy: 0.6814314710138324
Energy: 0.5714150496356563
Energy: 0.5612723604892301
Energy: 0.8849729726867687
Energy: 0.5690286711503395
Energy: 0.5657988769161387
Energy: 0.572143515858871
Energy: 0.5757659681540173
Energy: 0.5867581972634754
Energy: 0.5700960367345749
Energy: 0.5637853546713544
Energy: 0.5900024019545622
Energy: 0.5671862304936252
Energy: 0.5697831374851622
Energy: 0.5880960832503908
Energy: 0.6193537347666218
Energy: 0.5658009341475257
Energy: 0.5614175574306302
Energy: 0.5638751307891972
Energy: 0.5627228841079239
Energy: 0.5621356130964145
Energy: 0.5681979580616626
Energy: 0.5625992774134573
Energy: 0.5732075754529323
Energy: 0.5681343467707383
Energy: 0.5620181219869972
Energy: 0.5729848890398903
Energy: 0.5689953656041695
Energy: 0.5695602410922541
Energy: 0.559864700942219
Energy: 0.56502059651096
Energy: 0.5607081117979693
Energy: 0.5607950904938458
Energy: 0.5622143757827242
Energy: 0.5601836415066014
Energy: 0.5613173523111116
Energy: 0.6097672827876127
Energy: 0.5628535200302784
Energy: 0.5614928975992969
Energy: 0.6620723386923673
Energy: 0.5613253119496645
Energy: 0.5597379507909775
Energy: 0.5631267989747675
Energy: 0.5607156568195065
Energy: 0.560540634095708
Energy: 0.5512100830041556
Energy: 0.5610746569915912
Energy: 0.5680528700691939
Energy: 0.5598467391017636
Energy: 0.5658094098456106
Energy: 0.5677654819119884
Energy: 0.559702034885365
Energy: 0.5694024138083943
Energy: 0.5673226570022923
Energy: 0.560257602104071
Energy: 0.5721493193952257
Energy: 0.5696641403600518
Energy: 0.5598078868018652
Energy: 0.5633617369929109
Energy: 0.5600411597696353
Energy: 0.5621969768226825
Energy: 0.559975454476835
Energy: 0.5606415274771508
Energy: 0.563105029950798
Energy: 0.5618113781404697
Energy: 0.5693735021439327
Energy: 0.573205599389092
Energy: 0.570797400290883
Energy: 0.5703717075484529
Energy: 0.5716331503367896
Energy: 0.5763067404649392
Energy: 0.6651706162947156
Energy: 0.5592352826250739
Energy: 0.56297224383697
Energy: 0.6646335866787074
Energy: 0.5594621154630647
Energy: 0.5592411225020931
Energy: 0.5856391113226319
Energy: 0.580956513113985
Energy: 0.5680474622038141
Energy: 0.5855095771003511
Energy: 0.5869547195459429
Energy: 0.5626071463153205
Energy: 0.5683703993887543
Energy: 0.5599250528939698
Energy: 0.5607221399907171
Energy: 0.5694961133896712
Energy: 0.5601898424082897
Energy: 0.5679063086274281
Energy: 0.5676227214620685
Energy: 0.5626640068215492
Energy: 0.5589963806319213
Energy: 0.5672162487280517
Energy: 0.5816257264195134
Energy: 0.5583609632523472
Energy: 0.5731918990335173
Energy: 0.5732576793714393
Energy: 0.5631309289158637
Energy: 0.5736020886861839
Energy: 0.5880815328463522
Energy: 0.562963416889665
Energy: 0.6205539051969652
Energy: 0.5712405091793694
Energy: 0.5672600221044173
Energy: 0.6202743059965795
Energy: 0.5684953105546894
Energy: 0.5743929578344428
Energy: 0.5712501348078552
Energy: 0.5644568381227554
Energy: 0.5636815234129063
Energy: 0.57152294882991
Energy: 0.5781236863258111
Energy: 0.5637575615626729
Energy: 0.586386338072695
Energy: 0.5716385285630293
Energy: 0.563351833064538
Energy: 0.5870067343715891
Energy: 0.5838804299802783
Energy: 0.563309244438336
Energy: 0.5504846961316363
Energy: 0.5763638917532721
Energy: 0.5741441188711808
Energy: 0.5504525163737487
Energy: 0.5691500500675366
Energy: 0.5744136846561065

minimum gb energy = 0.5504525163737487 eV
minimum distance =  2.5674430734577 Angstroms
sigma value = 27


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

Energy: 0.7174997557498635
Energy: 0.6161944307950996
Energy: 0.6142805045043731
Energy: 0.705139509664961
Energy: 0.8412882802477856
Energy: 0.61509312996631
Energy: 0.5734906939989918
Energy: 0.6041449928589953
Energy: 0.6050292952709059
Energy: 0.6367307520915857
Energy: 0.6136228181669723
Energy: 0.61506745890956
Energy: 0.5921448089584629
Energy: 0.5952979322677212
Energy: 0.5988686810164755
Energy: 0.5931812465612892
Energy: 0.5584223761432359
Energy: 0.6124346038012336
Energy: 0.5847786346989534
Energy: 0.5977568310806486
Energy: 0.599636111651344
Energy: 0.5853092261836484
Energy: 0.6045440642825023
Energy: 0.6005759556125903
Energy: 0.5649754109490002
Energy: 0.6132496650012097
Energy: 0.5940390263965137
Energy: 0.5654566218497374
Energy: 0.6093089134051584
Energy: 0.5918346894043515
Energy: 0.5835081615296007
Energy: 0.6011364001464061
Energy: 0.5977122621853969
Energy: 0.5841086346945701
Energy: 0.5951310816834608
Energy: 0.6054475327376962
Energy: 0.5953358235582659
Energy: 0.6187048597360633
Energy: 0.6123882068085272
Energy: 0.6259828883179945
Energy: 0.6164337268646021
Energy: 0.5954293110443772
Energy: 0.6197872649062446
Energy: 0.5780757934236858
Energy: 0.6048699961161151
Energy: 0.6115686966502394
Energy: 0.5648832915972999
Energy: 0.6071166464183609
Energy: 0.6073441317222062
Energy: 0.5886160472452684
Energy: 0.6029886812337195
Energy: 0.5970406844803171
Energy: 0.5888418984886428
Energy: 0.5982101770084094
Energy: 0.6005377177720348
Energy: 0.5627477921375043
Energy: 0.5850916533611568
Energy: 0.5921432998302574
Energy: 0.5606505616529619
Energy: 0.5771716602699488
Energy: 0.6121349438349712
Energy: 0.6022667002795814
Energy: 0.6049672806597636
Energy: 0.61207302153136
Energy: 0.5573770460843243
Energy: 0.605318259832636
Energy: 0.5388202693912282
Energy: 0.5616858645732566
Energy: 0.5408799041797024
Energy: 0.5399380495777835
Energy: 0.5635762770951956
Energy: 0.5391593932085104
Energy: 0.5411688972049818
Energy: 0.5435187592509286
Energy: 0.5387035091485105
Energy: 0.5400528663036636
Energy: 0.5461881201641617
Energy: 0.5400513975208573
Energy: 0.5579482750050101
Energy: 0.5530960091169168
Energy: 0.5605739213311427
Energy: 0.5501615682744058
Energy: 0.5733184248272285
Energy: 0.5609250793312479
Energy: 0.5390892908945595
Energy: 0.5514778315546796
Energy: 0.5404320298284562
Energy: 0.5389810291873801
Energy: 0.5563363548824868
Energy: 0.5388137135389367
Energy: 0.5805485430748513
Energy: 0.5516989402429561
Energy: 0.5752893650344048
Energy: 0.5812082943883664
Energy: 0.5520470472445684
Energy: 0.5751635342142162
Energy: 0.5604056190000944
Energy: 0.5730143845074067
Energy: 0.5706037677931207
Energy: 0.5608861895790617
Energy: 0.5817230442559843
Energy: 0.5707488342839592
Energy: 0.5825781272100785
Energy: 0.59280815979193
Energy: 0.5893039807020738
Energy: 0.5833092714312234
Energy: 0.5952405467074274
Energy: 0.576746230010026
Energy: 0.5854184664144645
Energy: 0.6363618181007552
Energy: 0.5767850752496251
Energy: 0.5868434410892946
Energy: 0.551298649392498
Energy: 0.5754196126734743
Energy: 0.5934165098003784
Energy: 0.6077568523303932
Energy: 0.5763271771646766
Energy: 0.5937056319286108
Energy: 0.5512731980346044
Energy: 0.6086671530083718
Energy: 0.6005597452427484
Energy: 0.592776044677196
Energy: 0.5976878114921041
Energy: 0.5998590642000247
Energy: 0.5965602121641742
Energy: 0.597703777666773
Energy: 0.5626302602027086
Energy: 0.6115600985397515
Energy: 0.6113730678642768
Energy: 0.5632294357661292
Energy: 0.6117073499239121
Energy: 0.5978671645442439
Energy: 0.6072667376114314
Energy: 0.5901691230186376
Energy: 0.6044073126827215
Energy: 0.6081001542386397
Energy: 0.5912473626964333
Energy: 0.6099559730431404
Energy: 0.6339930761268878
Energy: 0.5873841007047195
Energy: 0.5978140754488529
Energy: 0.63465573368278
Energy: 0.589624875587608
Energy: 0.6001350311720159
Energy: 0.5719587959689755
Energy: 0.5992583649617857
Energy: 0.6054184281272131
Energy: 0.559100958939336
Energy: 0.596795886662904
Energy: 0.5794223904386756

minimum gb energy = 0.5387035091485105 eV
minimum distance =  2.5814760564073 Angstroms
sigma value = 19


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

Energy: 0.8035470369782134
Energy: 0.6069161698086851
Energy: 0.6510290762896255
Energy: 0.5954462898138434
Energy: 0.7447829769303533
Energy: 0.6081639903212186
Energy: 0.6024519446272693
Energy: 0.574278092760413
Energy: 0.5731195610431936
Energy: 0.629051081083153
Energy: 0.5741211661002432
Energy: 0.5865268614536315
Energy: 0.5771541726450794
Energy: 0.5407110977712736
Energy: 0.5407741427883508
Energy: 0.5771929591501255
Energy: 0.5409444780743429
Energy: 0.5902371637940081
Energy: 0.5732597133767674
Energy: 0.5865154432971433
Energy: 0.5869685449295255
Energy: 0.5726014142717126
Energy: 0.5745795888544003
Energy: 0.5865882868198106
Energy: 0.5475205189276727
Energy: 0.5773153576613265
Energy: 0.5770815163741568
Energy: 0.5485953434057885
Energy: 0.5773576617897636
Energy: 0.5406903782675178
Energy: 0.5731532385249887
Energy: 0.5879800635050937
Energy: 0.5871227418800407
Energy: 0.5735250435186333
Energy: 0.6012492819873121
Energy: 0.5872090941198047
Energy: 0.5723763751181664
Energy: 0.6499734545224853
Energy: 0.5659224740952931
Energy: 0.6155451177758329
Energy: 0.567135023889135
Energy: 0.5739775952428315
Energy: 0.5732465638157396
Energy: 0.5819595052891718
Energy: 0.5868574088270644
Energy: 0.573993078551651
Energy: 0.5766679124735489
Energy: 0.5747870974155909
Energy: 0.5410788077728067
Energy: 0.5774526842527778
Energy: 0.5807998114380124
Energy: 0.5409588590258205
Energy: 0.577307633888035
Energy: 0.5860846111862857
Energy: 0.5404277175575998
Energy: 0.5734087569254785
Energy: 0.5828885419810484
Energy: 0.540586760798099
Energy: 0.573859132562254
Energy: 0.583876529721362
Energy: 0.56708221910411
Energy: 0.5315226028859404
Energy: 0.5316016795041364
Energy: 0.5671620147253716
Energy: 0.5339248904445819
Energy: 0.5714949527814402
Energy: 0.5917323423998887
Energy: 0.5742259881573638
Energy: 0.5836400497168418
Energy: 0.5927127925994173
Energy: 0.5654779146834256
Energy: 0.5814461686456902
Energy: 0.6485944175768806
Energy: 0.5772580618841822
Energy: 0.5685990481994025
Energy: 0.5499305904753767
Energy: 0.577330229478049
Energy: 0.5687881681859477
Energy: 0.5732211215553539
Energy: 0.5723117254843617
Energy: 0.5735784568623312
Energy: 0.5732079895972736
Energy: 0.5715934201658011
Energy: 0.5746829768473357
Energy: 0.5771212451961603
Energy: 0.53128102129773
Energy: 0.5679671467760863
Energy: 0.5770840634693069
Energy: 0.531323730445438
Energy: 0.569365162783013
Energy: 0.577199843562299
Energy: 0.5432738299848695
Energy: 0.5783859020707002
Energy: 0.5782400842868756
Energy: 0.5313601589815103
Energy: 0.5760592113344095
Energy: 0.6625098990756003
Energy: 0.5648603709773192
Energy: 0.5658542017181684
Energy: 0.6637183181366145
Energy: 0.5646952211653751
Energy: 0.5687075690129227
Energy: 0.583334620645992
Energy: 0.5684739480938952
Energy: 0.5707596339453761
Energy: 0.5839868273982008
Energy: 0.5776287222643268
Energy: 0.5722212021095594
Energy: 0.5776139483274056
Energy: 0.529728479409042
Energy: 0.5753634849992448
Energy: 0.5775880746218409
Energy: 0.5300205396169022
Energy: 0.5696720993337969
Energy: 0.5655652710994741
Energy: 0.5640292821129813
Energy: 0.5782108564977707
Energy: 0.5662659332094132
Energy: 0.5303290602592213
Energy: 0.5698026013485883
Energy: 0.5347916259500656
Energy: 0.5767529786309015
Energy: 0.5706252376107305
Energy: 0.5357103787916753
Energy: 0.5773484460673842
Energy: 0.5748733244801862
Energy: 0.5427084036070531
Energy: 0.5848704780587559
Energy: 0.5799096257715174
Energy: 0.5431654470535903
Energy: 0.5936174793577526
Energy: 0.5764363628396978
Energy: 0.5701027661422268
Energy: 0.5274107347964156
Energy: 0.5713937711426211
Energy: 0.5701686154181155
Energy: 0.5273506545210584
Energy: 0.5679621000816966
Energy: 0.5734631267926057
Energy: 0.5619576400410071
Energy: 0.5700704350795087
Energy: 0.5734682839739211
Energy: 0.527456061935018
Energy: 0.568350509716803
Energy: 0.5833155793750724
Energy: 0.578234684840776
Energy: 0.5794007726515558
Energy: 0.5865975483952275
Energy: 0.592128620667456
Energy: 0.5790846682624976
Energy: 0.5624006630946737
Energy: 0.5670606883874814
Energy: 0.5703978565900385
Energy: 0.5393479260813089
Energy: 0.5671719630963394
Energy: 0.5748400680050556
Energy: 0.5737561279811644
Energy: 0.5413533067410957
Energy: 0.5897705915683259
Energy: 0.5748123196149552
Energy: 0.5404405187401211
Energy: 0.5742023370925142
Energy: 0.5738329246380872
Energy: 0.540450403549886
Energy: 0.5816661866724523
Energy: 0.5738061546208071
Energy: 0.5565497206764896
Energy: 0.5826368768562893
Energy: 0.5947213100720269
Energy: 0.5729434744968506
Energy: 0.5743928141678352
Energy: 0.5655611881315105
Energy: 0.5728367418496395
Energy: 0.568343757950007

minimum gb energy = 0.5273506545210584 eV
minimum distance =  2.56101348725823 Angstroms
sigma value = 101


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

Energy: 0.7598794331923915
Energy: 0.5875059043671708
Energy: 0.5883674901071378
Energy: 0.761001835749815
Energy: 0.6128155982692503
Energy: 0.49932557754992335
Energy: 0.5784361186659374
Energy: 0.5679641686757185
Energy: 0.5739585462423396
Energy: 0.5864511967639623
Energy: 0.5634807189172782
Energy: 0.5719988237886345
Energy: 0.5722356078080137
Energy: 0.5100630885869795
Energy: 0.5100290876972395
Energy: 0.5720631893843635
Energy: 0.5111739816348823
Energy: 0.556755843637794
Energy: 0.562831463154896
Energy: 0.5727860106626448
Energy: 0.5731311138871151
Energy: 0.5635618665234426
Energy: 0.5656701418648844
Energy: 0.5725704481830528
Energy: 0.5184681813889676
Energy: 0.5724395636390336
Energy: 0.5703097998840827
Energy: 0.5198525495347958
Energy: 0.5731522375726682
Energy: 0.5180078110200008
Energy: 0.5427667196228884
Energy: 0.5724047476409425
Energy: 0.5724695713678426
Energy: 0.5430223134498345
Energy: 0.586327842071589
Energy: 0.5731494565860761
Energy: 0.5694910495496703
Energy: 0.5431600276600026
Energy: 0.5233254874659575
Energy: 0.5696378510417117
Energy: 0.5436714051793166
Energy: 0.5339894311805798
Energy: 0.5622599587559178
Energy: 0.5718902913395966
Energy: 0.5726797944583694
Energy: 0.5629472997545554
Energy: 0.5656535464864204
Energy: 0.56342216758494
Energy: 0.5111059296319476
Energy: 0.5717882649129692
Energy: 0.5440339142827427
Energy: 0.5118439659083558
Energy: 0.5719384838159138
Energy: 0.510081331093499
Energy: 0.5098262978239996
Energy: 0.5729450368678062
Energy: 0.5754649467513044
Energy: 0.5100883227266604
Energy: 0.573623055263534
Energy: 0.5758943600988736
Energy: 0.5621860045001865
Energy: 0.4975618103063528
Energy: 0.49767234625549545
Energy: 0.562301107412883
Energy: 0.7394009280064567
Energy: 0.5587380883997354
Energy: 0.5720672554917307
Energy: 0.5749268898476504
Energy: 0.5768967754118104
Energy: 0.5728874108059464
Energy: 0.5513550738367877
Energy: 0.5744377968987924
Energy: 0.6105546214042645
Energy: 0.5719691446755564
Energy: 0.5725483630917896
Energy: 0.611589233331173
Energy: 0.5730087083411307
Energy: 0.5700896012247743
Energy: 0.5465655233011157
Energy: 0.5624042194222678
Energy: 0.5722542611703942
Energy: 0.5479973806729773
Energy: 0.563493197855663
Energy: 0.570554657747561
Energy: 0.5720628897881455
Energy: 0.510722127302779
Energy: 0.509743183894192
Energy: 0.5728795591678784
Energy: 0.5117183353797361
Energy: 0.5661996178267279
Energy: 0.5862381085982161
Energy: 0.5219937471877628
Energy: 0.5624797593403579
Energy: 0.586323977654649
Energy: 0.5111959452836906
Energy: 0.573289892430339
Energy: 0.696366836568215
Energy: 0.5630350166348166
Energy: 0.5659093774383988
Energy: 0.6960105743711924
Energy: 0.5623406289261891
Energy: 0.5429509143686304
Energy: 0.5774217452143802
Energy: 0.5624190934711863
Energy: 0.5657943059530044
Energy: 0.5773936631973983
Energy: 0.5623414760789319
Energy: 0.572633950752737
Energy: 0.5722260518926615
Energy: 0.5099092042706298
Energy: 0.5102672058167266
Energy: 0.5722518306257592
Energy: 0.509917721956955
Energy: 0.5701225387466731
Energy: 0.5617732030724869
Energy: 0.5104816767111152
Energy: 0.57276860535368
Energy: 0.562578540740586
Energy: 0.5098323298479648
Energy: 0.5738655478752198
Energy: 0.520021693505043
Energy: 0.5625488118818427
Energy: 0.5656370925475808
Energy: 0.5210706000253007
Energy: 0.5622597021647101
Energy: 0.5186294376391773
Energy: 0.5400356810117118
Energy: 0.5744902906293452
Energy: 0.5740598695832184
Energy: 0.5409616562923577
Energy: 0.5873333508007959
Energy: 0.5725640637714317
Energy: 0.5626482092960625
Energy: 0.5463371780797103
Energy: 0.5465870779003653
Energy: 0.5625837687289253
Energy: 0.5478545825157052
Energy: 0.5664825179843848
Energy: 0.5632414904947779
Energy: 0.5730598069356592
Energy: 0.5703304599976172
Energy: 0.5635034035184966
Energy: 0.5476057289936705
Energy: 0.5659538521809376
Energy: 0.5140671583542651
Energy: 0.582799066536893
Energy: 0.5738320170507784
Energy: 0.5148449819385214
Energy: 0.586240027590302
Energy: 0.5649454408974164
Energy: 0.5110502626927691
Energy: 0.5708814672101886
Energy: 0.5724424068223986
Energy: 0.5116708466540729
Energy: 0.5741420919525848
Energy: 0.5757925766576918
Energy: 0.5635751557509174
Energy: 0.4974233647502782
Energy: 0.5680346103407419
Energy: 0.5621879118952787
Energy: 0.5007497505409385
Energy: 0.5665400236864776
Energy: 0.5743267017637631
Energy: 0.49793002162488537
Energy: 0.5693475245521298
Energy: 0.5723541208905888
Energy: 0.4975281733696891
Energy: 0.5698297947220228
Energy: 0.5470935923387167
Energy: 0.5723389690503775
Energy: 0.5703450587841319
Energy: 0.5082726726392461
Energy: 0.5721294483525895
Energy: 0.5700393284284081
Energy: 0.5462223510360796
Energy: 0.5618091440205832
Energy: 0.5639963007384847
Energy: 0.5087083592879396
Energy: 0.563217966126762
Energy: 0.5701215317304844
Energy: 0.5732880864368839
Energy: 0.509828829235343
Energy: 0.5107635427818898
Energy: 0.5742403622716384
Energy: 0.5096242708434785
Energy: 0.5741489876422647
Energy: 0.5875197993530643
Energy: 0.5215641763294527
Energy: 0.5433117240196734
Energy: 0.5872855715194384
Energy: 0.5219405380848503
Energy: 0.5646666385086234
Energy: 0.5701493273701806
Energy: 0.5623918161304305
Energy: 0.5681355880900331
Energy: 0.49680741625761715
Energy: 0.5622476457972371
Energy: 0.5707327640667103

minimum gb energy = 0.49680741625761715 eV
minimum distance =  2.57004683860447 Angstroms
sigma value = 33


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

Energy: 0.011713306908413407
Energy: 0.012361262134634106
Energy: 0.01274738611741629
Energy: 0.013135545948054928
Energy: 0.5184201966940929
Energy: 0.012137035694660965
Energy: 0.013656796813980672
Energy: 0.06347888025768995
Energy: 0.062067148373500684
Energy: 0.06152985350786702
Energy: 0.06149194558153183
Energy: 0.06185588976547271
Energy: 0.6931378097952313
Energy: 0.5202849641988606
Energy: 0.5186782026848009
Energy: 0.518447226519474
Energy: 0.5182356408895787
Energy: 0.5185087592256008
Energy: 0.23912011185197454
Energy: 0.06347888025768995
Energy: 0.062067148373500684
Energy: 0.06152985350786702
Energy: 0.06149194558153183
Energy: 0.06185588976547271

minimum gb energy = 0.011713306908413407 eV
minimum distance =  2.82277525829517 Angstroms
sigma value = 1