Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.939586490392685
cohesive_energy=2.0170550541167356
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.325407918909439e-20, 1.082063635481214e-19, 1.364532182585316e-19, 1.60414731125982e-19, 1.8135357755572798e-19, 1.99796232789702e-19, 2.16168875812548e-19, 2.30782328891262e-19, 2.4387050981440795e-19, 2.55577614479046e-19, 2.660414300757e-19, 2.75367700262214e-19, 2.83646146930092e-19, 2.91056213862342e-19, 2.97586685822526e-19, 3.03272810696592e-19, 3.0816265378356e-19, 3.1229626949928e-19, 3.1571371225960196e-19, 3.18447025597206e-19, 3.20534661751308e-19, 3.2199744901815e-19, 3.22859420047242e-19, 3.2314300531146e-19, 3.2283538739773196e-19, 3.2183562917811597e-19, 3.2000914781535595e-19, 3.1719091911614995e-19, 3.13246360243242e-19, 3.07893488109048e-19, 3.00834297859644e-19, 2.91709901929014e-19, 2.80082906096076e-19, 2.6541658118844e-19, 2.47066852199238e-19, 2.24123682800358e-19, 1.9548958199751e-19, 1.59765048500895e-19, 1.1516109188098858e-19, 5.92106805567576e-20, -1.127808982735182e-20, -1.006019525901672e-19, -2.1478139084750398e-19, -3.6183557102256e-19, -5.539637864419379e-19, -8.08668214655454e-19, -1.152062732620674e-18, -1.62539217342666e-18, -2.2952462023357196e-18, -3.2752656058208395e-18, -4.77153836431344e-18, -7.188758273795578e-18, -1.1407609786444379e-17, -1.96487738040492e-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: 0.005102697922900094
Energy: 0.38317590596327267
Energy: 0.19938422849309545
Energy: 0.5038676160813305
Energy: 0.501968456282637
Energy: 0.17420634207457833
Energy: 0.005225448426858887
Energy: 0.044168587429884894
Energy: 0.38912604462493816
Energy: 0.04431946430060081
Energy: 0.199292747666306
Energy: 0.3857563819651073
Energy: 0.005517092643092302
Energy: 0.04514998975106883
Energy: 0.00529014604382527
Energy: 0.39812514899608564
Energy: 0.11466753007088763
Energy: 0.11414233079873014
Energy: 0.38483837593781905
Energy: 0.04424666395732209
Energy: 0.045049794410382094
Energy: 0.006219793013623641
Energy: 0.3855907175389548
Energy: 0.19976192786523453
Energy: 0.5035694913339687
Energy: 0.3879914889534361
Energy: 0.044440152005165386
Energy: 0.005557598371221236
Energy: 0.044499096886651004
Energy: 0.38838131882767984
Energy: 0.14286285313103128
Energy: 0.199172780435074
Energy: 0.3857564153590758
Energy: 0.005446548554048531
Energy: 0.04527744968947119
Energy: 0.005210269273651955
Energy: 0.3850125348325204
Energy: 0.11425496498799559
Energy: 0.11411500265102734
Energy: 0.38531530380603757
Energy: 0.04423274476205058
Energy: 0.045017827892196875

minimum gb energy = 0.005102697922900094 eV
minimum distance =  3.45969340482552 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.6030596240726641
Energy: 0.5853848745379567
Energy: 0.7004489239298409
Energy: 0.6280205097723301
Energy: 0.6579098597346219
Energy: 0.637576513383397
Energy: 0.6043259616272616
Energy: 0.585226644441636
Energy: 0.6229676495679703
Energy: 0.6039135073380151
Energy: 0.6549623924448801
Energy: 0.6423259082519175
Energy: 0.5977031086556042
Energy: 0.6142873658442931
Energy: 0.5922938264780523
Energy: 0.6308464893078704
Energy: 0.6463162641065
Energy: 0.6274531848894357
Energy: 0.6315328306205652
Energy: 0.6231010846658099
Energy: 0.634662657946171
Energy: 0.6014214670443034
Energy: 0.6327678867734068
Energy: 0.5971143923299577
Energy: 0.625791263732755
Energy: 0.6072053612029227
Energy: 0.5993139872010294
Energy: 0.6124349891040453
Energy: 0.6559191222524906
Energy: 0.6000843354801567
Energy: 0.6447872538462476
Energy: 0.6103564914245838
Energy: 0.6381004276087424
Energy: 0.6750390814695832
Energy: 0.6078296259159661
Energy: 0.6194916421545226
Energy: 0.6129200534951181
Energy: 0.5949178389522274
Energy: 0.5901445452082167
Energy: 0.6189347782591615
Energy: 0.5993529135726942
Energy: 0.5900631091166294
Energy: 0.5920220412260951
Energy: 0.6444262118885506
Energy: 0.6040428633676539
Energy: 0.5869523250701916
Energy: 0.6357694602171645
Energy: 0.6048370248405298
Energy: 0.624344190805737
Energy: 0.6198729936702528
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Energy: 0.6055762832584336
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Energy: 0.5962231232587412
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Energy: 0.6002321828688975
Energy: 0.5953017225729365
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Energy: 0.6701733825911776
Energy: 0.6101694295233306
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Energy: 0.6086428798724808
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Energy: 0.621381379489962
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Energy: 0.6052745702989085
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Energy: 0.6168044889080422
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Energy: 0.6225492195003621
Energy: 0.6289360048920789
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Energy: 0.6333767058423833
Energy: 0.6118904989356934
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Energy: 0.613308063965233
Energy: 0.61492865983448
Energy: 0.6131717742704906
Energy: 0.6345548170869949
Energy: 0.6097226103172111
Energy: 0.5882491281643292
Energy: 0.6077218342625715
Energy: 0.6335350016347889
Energy: 0.6342326056493578
Energy: 0.6281317388164815
Energy: 0.6300694537657705
Energy: 0.6555373502266615
Energy: 0.6266713944283647
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Energy: 0.6354198155928216
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Energy: 0.599902695802331
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Energy: 0.6198679649246511
Energy: 0.6034739847389031
Energy: 0.6445841585478547
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Energy: 0.6082575279378835
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Energy: 0.6147707992187623
Energy: 0.6447845655107991
Energy: 0.6250191248633198
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Energy: 0.6275985792085478
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Energy: 0.6052193850452572
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Energy: 0.6177040998049136
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Energy: 0.6819314554334823
Energy: 0.5930829846286748
Energy: 0.6249473737680582
Energy: 0.6550676381316676
Energy: 0.6163662869281482
Energy: 0.6286600277319548
Energy: 0.5937637050543321
Energy: 0.6275482317284677
Energy: 0.6378061675435714
Energy: 0.6289686505924094
Energy: 0.616855785038862
Energy: 0.5969279350630712
Energy: 0.5941330098933161
Energy: 0.5991177619117966
Energy: 0.6406448349766922
Energy: 0.6253031517030895
Energy: 0.6310266431393696
Energy: 0.6254571093624803
Energy: 0.6295826138337637
Energy: 0.5917265461484905
Energy: 0.6122765725375284
Energy: 0.587610902792675
Energy: 0.6252284189679792
Energy: 0.6297500214919726
Energy: 0.5983846221699821
Energy: 0.6054545324568047
Energy: 0.6151458791251633
Energy: 0.5970175216351346
Energy: 0.6431759620899427
Energy: 0.6509424964031963
Energy: 0.6369643329263763
Energy: 0.6233433668676595
Energy: 0.6108812962327039
Energy: 0.6016293629403582
Energy: 0.6335055785819814
Energy: 0.5858009671181674
Energy: 0.6417694845449615
Energy: 0.6412007156892254
Energy: 0.5935043926374118
Energy: 0.6405682264265593
Energy: 0.6486663781892071
Energy: 0.6031662479824439
Energy: 0.6246077042937753
Energy: 0.6487183331195127
Energy: 0.6338920467601928
Energy: 0.6301502873880418
Energy: 0.6322252142448521
Energy: 0.6078502696760987
Energy: 0.5964572094718166
Energy: 0.5985321810466483
Energy: 0.6386524726356893
Energy: 0.6131840274212147
Energy: 0.5866653027222877
Energy: 0.614691119174895
Energy: 0.6015212419269632
Energy: 0.6165714260217947
Energy: 0.6597173996631194
Energy: 0.6229504771571914
Energy: 0.6570403486765303
Energy: 0.6383717497793708
Energy: 0.6126345319667956

minimum gb energy = 0.5851623147409204 eV
minimum distance =  3.1318369202977 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.7254860389842867
Energy: 0.6023159518995161
Energy: 0.6225118163792318
Energy: 0.6106650929476435
Energy: 0.8299741573736908
Energy: 0.6304386855177501
Energy: 0.6248988815146879
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Energy: 0.6174672829126661
Energy: 0.6157352420248725
Energy: 0.6046743371732723
Energy: 0.5990868655243435
Energy: 0.5927306667315371
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Energy: 0.6251360163436197
Energy: 0.676318118158395
Energy: 0.620768467942852
Energy: 0.5996320459617046
Energy: 0.6114167557043032
Energy: 0.592708176766533
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Energy: 0.6487616714526717
Energy: 0.6813105597086998
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Energy: 0.5995599379495543
Energy: 0.6123400183388304
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Energy: 0.6257530537832368
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Energy: 0.6137580397721364
Energy: 0.6181870676955872
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Energy: 0.601257992031479
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Energy: 0.6070836210172004
Energy: 0.6071173483772594
Energy: 0.5927521821357757
Energy: 0.6192524856170138
Energy: 0.7003387698251314
Energy: 0.6193702983293895
Energy: 0.6122162165211614
Energy: 0.6069444660095352
Energy: 0.6058870405360772
Energy: 0.5914139180835998
Energy: 0.6186223606197806
Energy: 0.6451639294463816
Energy: 0.6417440692037536
Energy: 0.6319692808932504
Energy: 0.6123540663424323
Energy: 0.6005007253690446
Energy: 0.6303327302979881
Energy: 0.6407784979068237
Energy: 0.6413149938534006
Energy: 0.6057009563082084
Energy: 0.6162998174262129
Energy: 0.6414750420885453
Energy: 0.6216850097568146
Energy: 0.6022437161431253
Energy: 0.6517407533553209
Energy: 0.6373347460122308
Energy: 0.6048273689877154
Energy: 0.6144950040330984
Energy: 0.605022007635011
Energy: 0.605748517358438
Energy: 0.6687171577403457
Energy: 0.6039195588442667
Energy: 0.5986888042512001
Energy: 0.6033726077068663
Energy: 0.6045404326981616
Energy: 0.6245389285785105
Energy: 0.604192055007234
Energy: 0.602289527725837
Energy: 0.6331149966674708
Energy: 0.6044808353926271
Energy: 0.6024059349411173
Energy: 0.6046663977945204
Energy: 0.6292188777943204
Energy: 0.6128498443523512
Energy: 0.6183761200561376
Energy: 0.6199936077950359
Energy: 0.6046321424078064
Energy: 0.6024168314127787
Energy: 0.6039517113156393
Energy: 0.6071704623251248
Energy: 0.606940016801771
Energy: 0.5961008380754508
Energy: 0.6480805315420142
Energy: 0.5999807031593922
Energy: 0.6166707713736823
Energy: 0.6244122471751694
Energy: 0.5991623725330999
Energy: 0.6017434425206007
Energy: 0.5997320064557512
Energy: 0.6128675439975345
Energy: 0.6532063897886196
Energy: 0.618524214441662
Energy: 0.6107128634815094
Energy: 0.6093304436265646
Energy: 0.6101419351867873
Energy: 0.6014363087140903
Energy: 0.6121839809327122
Energy: 0.6421322239671394
Energy: 0.6990369081093395
Energy: 0.6069704726434255
Energy: 0.614684771266047
Energy: 0.6172350205599713
Energy: 0.5913594790784222
Energy: 0.6099781958596397
Energy: 0.6376484427895075
Energy: 0.6104767196689159
Energy: 0.6095036966096858
Energy: 0.6053238028835369
Energy: 0.6127916901045911
Energy: 0.5894329567643894
Energy: 0.6197067566702306
Energy: 0.6589154684847687
Energy: 0.6193472955252024
Energy: 0.628702754355852
Energy: 0.5991747166353361
Energy: 0.6129220075994736
Energy: 0.6342786859670762
Energy: 0.6463976858516725
Energy: 0.6477808607911391
Energy: 0.6351218808006226
Energy: 0.6138588682139668
Energy: 0.658565287052756
Energy: 0.6879499764777809
Energy: 0.592966523763373
Energy: 0.644906067916146
Energy: 0.6076455237164525
Energy: 0.6129936264244494
Energy: 0.609874658390955
Energy: 0.6048537117362683
Energy: 0.604879084456689
Energy: 0.6233513244831727
Energy: 0.6255810474197898
Energy: 0.6218902199052886
Energy: 0.6075359840576672
Energy: 0.6011089776261139
Energy: 0.6157691246757402
Energy: 0.598532992085696
Energy: 0.6159235080750791
Energy: 0.6527905664857635
Energy: 0.6174145919388503

minimum gb energy = 0.5876068666055948 eV
minimum distance =  3.13964171593847 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.6392001222045562
Energy: 0.6292916803234689
Energy: 0.6582173305326909
Energy: 0.6145096560884657
Energy: 0.6891518573332306
Energy: 0.64569631783835
Energy: 0.6390670537583658
Energy: 0.6366150922778075
Energy: 0.6165872835941608
Energy: 0.6246373403337345
Energy: 0.6347486183873994
Energy: 0.6274870139110998
Energy: 0.6349029394322503
Energy: 0.6301197175104541
Energy: 0.6324013745621224
Energy: 0.6400840431543623
Energy: 0.6175442486325046
Energy: 0.6509104623795393
Energy: 0.6193008984872811
Energy: 0.6214958891684811
Energy: 0.6239887879937203
Energy: 0.6338432701147347
Energy: 0.6444557109073843
Energy: 0.6387084118986844
Energy: 0.6859942516142005
Energy: 0.6424644580687726
Energy: 0.6244162249372918
Energy: 0.6578343877556371
Energy: 0.6297034824075669
Energy: 0.6487745084230973
Energy: 0.6384429057171302
Energy: 0.6261319921402896
Energy: 0.6302887515829728
Energy: 0.6296401240719987
Energy: 0.6435013646396494
Energy: 0.6178644280670348
Energy: 0.6224800949978394
Energy: 0.6226564380800156
Energy: 0.6123342127952549
Energy: 0.6263538655140247
Energy: 0.6150122314515093
Energy: 0.6396975027337459
Energy: 0.6267023403072008
Energy: 0.6281104460461926
Energy: 0.6495868563974816
Energy: 0.6309782595562211
Energy: 0.614951842166063
Energy: 0.6401629289287931
Energy: 0.6435959776070328
Energy: 0.6302749276583374
Energy: 0.6149990978229831
Energy: 0.6257752483502282
Energy: 0.6228307448730979
Energy: 0.6382166678164294
Energy: 0.6235861137597317
Energy: 0.6524515576089679
Energy: 0.6441602473461124
Energy: 0.6343136840459875
Energy: 0.6232241620188367
Energy: 0.6301703557969385
Energy: 0.6191088201477581
Energy: 0.6299871819946319
Energy: 0.6437221299613887
Energy: 0.623289095224112
Energy: 0.641673541513315
Energy: 0.6388382542870333
Energy: 0.6435535944901297
Energy: 0.6240157311561073
Energy: 0.6320582707074434
Energy: 0.6333039184773719
Energy: 0.6205433514810136
Energy: 0.6175190124982803
Energy: 0.6220112192961557
Energy: 0.6213969807228767
Energy: 0.6283489317715579
Energy: 0.6267488896966862
Energy: 0.6294651386291955
Energy: 0.6271606294004883
Energy: 0.628972357859707
Energy: 0.6176946521271162
Energy: 0.6144253914597928
Energy: 0.6243776721183127
Energy: 0.6220450728571656
Energy: 0.6204887932562224
Energy: 0.6405377451852363
Energy: 0.6688075679747288
Energy: 0.6482053346185138
Energy: 0.6315926017157255
Energy: 0.6292191848710087
Energy: 0.6314651064528294
Energy: 0.6516889160349418
Energy: 0.6283680695584152
Energy: 0.6309962309932688
Energy: 0.6412063700842908
Energy: 0.6422297584453096
Energy: 0.6771824298565464
Energy: 0.6421840052621018
Energy: 0.6590006544106681
Energy: 0.6137284546523337
Energy: 0.6249293081670505
Energy: 0.6547799740400342
Energy: 0.6416054696191881
Energy: 0.6251659918030971
Energy: 0.6208716868491941
Energy: 0.6354727638755113
Energy: 0.6265230480758349
Energy: 0.6577348879655475
Energy: 0.6204159365348545
Energy: 0.6098215314113472
Energy: 0.6400675699663082
Energy: 0.631429431595261
Energy: 0.6350540002053812
Energy: 0.6332084963929953
Energy: 0.634530350661527
Energy: 0.6196136498942781
Energy: 0.6412530386696891
Energy: 0.6244764383588611
Energy: 0.6098269865162613
Energy: 0.627099165984819
Energy: 0.6161119265776801
Energy: 0.6375928492532033
Energy: 0.6132141238602495
Energy: 0.6263776672334814
Energy: 0.6310359923436152
Energy: 0.6092193262280267
Energy: 0.6226035571253996
Energy: 0.673740060311474
Energy: 0.6330444671889346
Energy: 0.6174046168338376
Energy: 0.6634172176908016
Energy: 0.6270155540802446
Energy: 0.6341534855727485
Energy: 0.639362223575241
Energy: 0.6346010313296744
Energy: 0.6464303351267765
Energy: 0.6186301600590711
Energy: 0.643426766377478
Energy: 0.6954224507615405
Energy: 0.6191066465931311
Energy: 0.654991199837624
Energy: 0.6434144516523554
Energy: 0.641543723953533
Energy: 0.6317015471841881
Energy: 0.6429802844042027
Energy: 0.6303109416652519
Energy: 0.6212148611744668
Energy: 0.6418922612974488
Energy: 0.628572467082514
Energy: 0.6356391319619393
Energy: 0.6215886485395068
Energy: 0.6248204110728006
Energy: 0.6417017297423138
Energy: 0.6361684002586151
Energy: 0.6203025936370072
Energy: 0.6243152237844344
Energy: 0.6294302883849324
Energy: 0.6323984328546792
Energy: 0.6515688192110202
Energy: 0.6277420578044165
Energy: 0.6342785415998233
Energy: 0.6399911224785799
Energy: 0.6617245685972765
Energy: 0.6490186455207426
Energy: 0.6164421713701438
Energy: 0.6117967047890017
Energy: 0.6240826333156956
Energy: 0.6193757494844037
Energy: 0.6313639645033442
Energy: 0.6167218795521251
Energy: 0.644954312706554
Energy: 0.6508102189491333
Energy: 0.6313732226080883
Energy: 0.6311382067623869
Energy: 0.6317355490997003
Energy: 0.633233534284997
Energy: 0.6291040440513173
Energy: 0.6263710488589859
Energy: 0.6342984064278022
Energy: 0.657517548089378
Energy: 0.6752982159716348
Energy: 0.6553753953630708
Energy: 0.6794656194183657
Energy: 0.6360461239920198
Energy: 0.6322948422106052
Energy: 0.624131463873575
Energy: 0.6394534936011685
Energy: 0.6258436546781774
Energy: 0.624761287648745
Energy: 0.6436001354061383
Energy: 0.6358910643101099
Energy: 0.6186832605364282
Energy: 0.6239099559524048
Energy: 0.6204048405569718
Energy: 0.6338325697396116
Energy: 0.6275907793371918
Energy: 0.6321352656071437
Energy: 0.626582041567433
Energy: 0.6327632013325504
Energy: 0.6326482455921306
Energy: 0.6256589609579577
Energy: 0.6214982006388228
Energy: 0.6248636397902019
Energy: 0.6456436379423541
Energy: 0.6229585574828903
Energy: 0.6306990222667226
Energy: 0.6701885179827641
Energy: 0.6117584043665457
Energy: 0.6300102639136227
Energy: 0.6350084965627502
Energy: 0.6345963054747121
Energy: 0.6319772460512899
Energy: 0.6448388436274046
Energy: 0.6229710047740581
Energy: 0.6319269918446052
Energy: 0.6243837800015142
Energy: 0.6308745044577374
Energy: 0.6499762632804714
Energy: 0.6363335092620123
Energy: 0.6416303045032753
Energy: 0.6343764827616766
Energy: 0.6431004106281145
Energy: 0.6768777754793894
Energy: 0.6288311055704179
Energy: 0.6714398859857637
Energy: 0.649562990001935
Energy: 0.6249418678362815
Energy: 0.6190187725563979
Energy: 0.6419952893074442
Energy: 0.6178575831424926
Energy: 0.6434382444126346
Energy: 0.6495186968327331
Energy: 0.6407189157023062
Energy: 0.637311206287569
Energy: 0.6274412261039255
Energy: 0.6216277829952969
Energy: 0.61630811921763
Energy: 0.6305677262305314
Energy: 0.6543046910241971
Energy: 0.6323066468550584
Energy: 0.6489424613672803
Energy: 0.6177134982965081
Energy: 0.6214411324284526
Energy: 0.6355453666538394
Energy: 0.6401341642748078
Energy: 0.6255163502768072
Energy: 0.6392344594464682
Energy: 0.6408687181257549
Energy: 0.6304953404876438
Energy: 0.6752644863387716
Energy: 0.6260527805158341
Energy: 0.6446892244706847
Energy: 0.6432744773762424

minimum gb energy = 0.6092193262280267 eV
minimum distance =  3.12772218028829 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5864835703461192
Energy: 0.6258126593053507
Energy: 0.8214607786395522
Energy: 0.7172479736472641
Energy: 0.6521762548498113
Energy: 0.6526723155311165
Energy: 0.5781107526404685
Energy: 0.61713164611553
Energy: 0.6294520686604986
Energy: 0.6526888550155829
Energy: 0.6181944139007137
Energy: 0.6186145635336102
Energy: 0.6141648515138474
Energy: 0.6208331386956447
Energy: 0.6145995469446109
Energy: 0.573991636561433
Energy: 0.5959681814298579
Energy: 0.6602098394438146
Energy: 0.6240674970187972
Energy: 0.6145598143531998
Energy: 0.6144465052180695
Energy: 0.6163012724762348
Energy: 0.5731712782370416
Energy: 0.6535228006503205
Energy: 0.6137498721798422
Energy: 0.6522827628522693
Energy: 0.6527101748195134
Energy: 0.6433186913095806
Energy: 0.630598344664769
Energy: 0.6184195530360845
Energy: 0.6604718204382789
Energy: 0.5968706788595521
Energy: 0.5963351069365156
Energy: 0.6037426623641916
Energy: 0.6147351074167469
Energy: 0.5776172798999678
Energy: 0.6183678704239678
Energy: 0.596511526376623
Energy: 0.6017735887090295
Energy: 0.6298738227121665
Energy: 0.6142985841638057
Energy: 0.6310328629644694
Energy: 0.6162764542570309
Energy: 0.6127005001825344
Energy: 0.5961993210430593
Energy: 0.6547836016259316
Energy: 0.5780542119718142
Energy: 0.5782803588211252
Energy: 0.6211782722478993
Energy: 0.5778482137448577
Energy: 0.6295901738366351
Energy: 0.633025995322066
Energy: 0.602255380290352
Energy: 0.6584167482040518
Energy: 0.595810546984314
Energy: 0.6170173512520014
Energy: 0.5777345985134756
Energy: 0.6295038179004665
Energy: 0.6331676657862676
Energy: 0.6019522447058776
Energy: 0.6180125113830819
Energy: 0.5958417264936293
Energy: 0.6181839509333168
Energy: 0.6159922995248442
Energy: 0.6120726659583958
Energy: 0.5982981782462217
Energy: 0.6480131849942506
Energy: 0.6241922353521746
Energy: 0.6143976699903425
Energy: 0.6144599344034762
Energy: 0.6154303544176144
Energy: 0.6030911907669894
Energy: 0.5999528790806296
Energy: 0.6022056505780808
Energy: 0.6294738102819876
Energy: 0.6169195902148409
Energy: 0.6171137323814081
Energy: 0.6302452881501166
Energy: 0.6182730513093193
Energy: 0.6023499502620715
Energy: 0.6032978713851285
Energy: 0.6183578913064199
Energy: 0.5962761642752065
Energy: 0.6168741862124768
Energy: 0.5781616682078231
Energy: 0.6187036632727951
Energy: 0.6577029032747493
Energy: 0.597961930892718
Energy: 0.6598764448721577
Energy: 0.653015999421469
Energy: 0.614563813104579
Energy: 0.6154803028008391
Energy: 0.5742721991014127
Energy: 0.5960593098856718
Energy: 0.6706833667087471
Energy: 0.5781914274944621
Energy: 0.5782032722510838
Energy: 0.6204439796598962
Energy: 0.5775717097929528
Energy: 0.6123554593088628
Energy: 0.5958865581840074
Energy: 0.6542233721283366
Energy: 0.578025103974684
Energy: 0.5779583451665699
Energy: 0.6208324829540333
Energy: 0.5781754621949171
Energy: 0.6523439117702766
Energy: 0.6576230399906439
Energy: 0.59671484150357
Energy: 0.6223843575835785
Energy: 0.652755314311385
Energy: 0.5780089558836969
Energy: 0.6171441284086607
Energy: 0.629659708060101
Energy: 0.6526626156334392
Energy: 0.618102962834619
Energy: 0.6185886854919639
Energy: 0.614348927508343
Energy: 0.6208281255492225
Energy: 0.6168863056460163
Energy: 0.5732354856480498
Energy: 0.5961308856818031
Energy: 0.6602596761657046
Energy: 0.6240986085324235
Energy: 0.6146920638595328
Energy: 0.6143865569347094
Energy: 0.6164048193576206
Energy: 0.5739116328601909
Energy: 0.6533961802300401
Energy: 0.599414162018072
Energy: 0.6521314896834174
Energy: 0.6523377206048745
Energy: 0.6846802835598353
Energy: 0.6304202185744542
Energy: 0.6180819992376178
Energy: 0.6605172165739793
Energy: 0.5969351578832335
Energy: 0.6524051864715956
Energy: 0.5965214395027229
Energy: 0.6149876202029194
Energy: 0.5775726454589728
Energy: 0.6183978669775264
Energy: 0.5963111072467864
Energy: 0.6017573817851951
Energy: 0.6290341978473514
Energy: 0.5780082507236094
Energy: 0.6311303327987725
Energy: 0.616066279487765
Energy: 0.6132776546074287
Energy: 0.596092424354196
Energy: 0.6553738630644466
Energy: 0.5780492679141097
Energy: 0.5782774882736613
Energy: 0.6206018904240374
Energy: 0.5778785719575756
Energy: 0.629580425796893
Energy: 0.6331692310666461
Energy: 0.6022591472383648
Energy: 0.658686260977668
Energy: 0.5958820581701972
Energy: 0.6167459025740865
Energy: 0.5776839412952032
Energy: 0.6295021617972194
Energy: 0.6333702542439079
Energy: 0.6019587791845861
Energy: 0.618060336351994
Energy: 0.5960656624184804
Energy: 0.6309742818587295
Energy: 0.6160095160443435
Energy: 0.6126283876537775
Energy: 0.5971729727861844
Energy: 0.6480137973622696
Energy: 0.6241660237159141
Energy: 0.6143363251438616
Energy: 0.6145546133798753
Energy: 0.6154617805165173
Energy: 0.603187785130152
Energy: 0.6000484810531826
Energy: 0.6022467070419081
Energy: 0.6294105998474391
Energy: 0.5961884998222863
Energy: 0.6410165997653309
Energy: 0.6299682535079587
Energy: 0.6184091673415446
Energy: 0.6569290394048353
Energy: 0.6034109574549474
Energy: 0.6180195426410522
Energy: 0.603038269875654
Energy: 0.616919449741457
Energy: 0.5781282490420672
Energy: 0.6186180601433228
Energy: 0.6576907096230481
Energy: 0.5980246744131232
Energy: 0.6597643095887011
Energy: 0.5972219252697594
Energy: 0.6145364122966774
Energy: 0.6155153884006667
Energy: 0.5744113217489893
Energy: 0.5960532239371602
Energy: 0.6706701423004743
Energy: 0.5781135399855197
Energy: 0.5783175552343179
Energy: 0.6206072864062605
Energy: 0.5775469371252661
Energy: 0.6123394309156069
Energy: 0.5958033056217652
Energy: 0.6017663501918754
Energy: 0.5780532252210681
Energy: 0.5779517922497179
Energy: 0.6210431943046916

minimum gb energy = 0.5731712782370416 eV
minimum distance =  3.18884681362954 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.7987630802573809
Energy: 0.6573615768904619
Energy: 0.5685156650682056
Energy: 0.6211398917960709
Energy: 0.6309723613726013
Energy: 0.6317514927758158
Energy: 0.6921468865159319
Energy: 0.6436074802217338
Energy: 0.6248865252428819
Energy: 0.6345445305622108
Energy: 0.6170574633483645
Energy: 0.5692951056379726
Energy: 0.6709367016950524
Energy: 0.6200626215036401
Energy: 0.627531299342489
Energy: 0.6125381392830342
Energy: 0.6556928928820117
Energy: 0.6103982009603054
Energy: 0.6531709751906999
Energy: 0.6304503746511394
Energy: 0.6114843267244079
Energy: 0.7055537725447596
Energy: 0.6073735798987654
Energy: 0.6084908125433907
Energy: 0.6216067568632424
Energy: 0.5949727130208797
Energy: 0.6296997377322439
Energy: 0.6353498385888595
Energy: 0.5768682985918645
Energy: 0.5905924319695883
Energy: 0.6141775265528295
Energy: 0.5863155455540872
Energy: 0.5716003142488456
Energy: 0.6108229376965844
Energy: 0.6007971372217769
Energy: 0.5907867432315483
Energy: 0.5901430039647524
Energy: 0.6637958489574736
Energy: 0.5378006688194005
Energy: 0.5844517681324901
Energy: 0.590926884735182
Energy: 0.6064154191352421
Energy: 0.671321172711974
Energy: 0.610072471827643
Energy: 0.6007572404525329
Energy: 0.6307697895483191
Energy: 0.5859252939889195
Energy: 0.6026708083339484
Energy: 0.6013672118450116
Energy: 0.6143669399062428
Energy: 0.5964921817959081
Energy: 0.6209763531672446
Energy: 0.6159113732627955
Energy: 0.5864483800841569
Energy: 0.602626709295425
Energy: 0.6055412694383375
Energy: 0.6234093078699876
Energy: 0.6197764299639418
Energy: 0.6246631843116011
Energy: 0.6071452714077358
Energy: 0.5405629938202046
Energy: 0.612594871408043
Energy: 0.5967054505812025
Energy: 0.6996596895899173
Energy: 0.6541439430428191
Energy: 0.5606984286728416
Energy: 0.6118546978677627
Energy: 0.577517536123392
Energy: 0.6009839813913036
Energy: 0.6985678231350401
Energy: 0.6224843513933848
Energy: 0.614162333971641
Energy: 0.6180945623685825
Energy: 0.6472127327102516
Energy: 0.6086334218325996
Energy: 0.6111496790738963
Energy: 0.6162347602849614
Energy: 0.6241322548862267
Energy: 0.6235049753283184
Energy: 0.6543044617740338
Energy: 0.6457921479631766
Energy: 0.6992061714967488
Energy: 0.6633384133336065
Energy: 0.6238031071327972
Energy: 0.6996971183054373
Energy: 0.5772899813685487
Energy: 0.5683950506477109
Energy: 0.6273328911112412
Energy: 0.5642316818394243
Energy: 0.6013297573307951
Energy: 0.6430955927285693
Energy: 0.6997126334277514
Energy: 0.5997964731191554
Energy: 0.6376476231471008
Energy: 0.6378783743715426
Energy: 0.6166121434665195
Energy: 0.6148994074588078
Energy: 0.5943095534769942
Energy: 0.6243106150146277
Energy: 0.609636632396984
Energy: 0.6792484797792004
Energy: 0.610104578603042
Energy: 0.6236980990101316
Energy: 0.5904318212157903
Energy: 0.6089205540736851
Energy: 0.7026929145594768
Energy: 0.5922708632278576
Energy: 0.589438111654879
Energy: 0.6377578579718605
Energy: 0.6319941941449642
Energy: 0.6117662643217964
Energy: 0.5893054131449638
Energy: 0.6133801000819632
Energy: 0.6309105670506904
Energy: 0.5994514233163083
Energy: 0.5656970204852251
Energy: 0.5514877691713684
Energy: 0.6009512977739423
Energy: 0.6054652406046241
Energy: 0.5906667950454239
Energy: 0.5977722345553869
Energy: 0.6361203986290375
Energy: 0.576025641320982
Energy: 0.5941298440831734
Energy: 0.619485444766921
Energy: 0.5846434344616811
Energy: 0.6806738622428238
Energy: 0.5705117719363515
Energy: 0.6103750489394769
Energy: 0.5996893142309516
Energy: 0.5985782917256626
Energy: 0.5928850253466172
Energy: 0.6012289255788135
Energy: 0.6318254780337978
Energy: 0.6109095556931549
Energy: 0.5984638080541133
Energy: 0.6458578533040455
Energy: 0.6151712878717214
Energy: 0.6234859406170042
Energy: 0.5947890194251466
Energy: 0.6150023149578909
Energy: 0.5820293286876016
Energy: 0.5983530669027011
Energy: 0.6246976981407613
Energy: 0.6310660706841215
Energy: 0.5904835023967084
Energy: 0.6283339635622481
Energy: 0.6722661505165133
Energy: 0.5905067105501428
Energy: 0.6139751808222073
Energy: 0.6125814089159508
Energy: 0.6115882875986615
Energy: 0.6003976648319775
Energy: 0.5845586994696531
Energy: 0.6578789572803265
Energy: 0.623805854384842
Energy: 0.5879318968621253
Energy: 0.6074252477090822
Energy: 0.6172539071332198
Energy: 0.6289050437214757
Energy: 0.6111240651456025
Energy: 0.6134436369785801
Energy: 0.6029476875899971
Energy: 0.6513923556053401
Energy: 0.6679652029363793
Energy: 0.694048744562859
Energy: 0.7354183693461023
Energy: 0.6680547695396534
Energy: 0.6516182357139818
Energy: 0.6237349457378637
Energy: 0.6115717169718298
Energy: 0.6481160625593567
Energy: 0.6190785980970634
Energy: 0.6111133703055402
Energy: 0.5927527914325961

minimum gb energy = 0.5378006688194005 eV
minimum distance =  3.15025921653055 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.6484130903624654
Energy: 0.567219560403636
Energy: 0.6395501112196216
Energy: 0.7058613181094223
Energy: 0.6260130491326467
Energy: 0.7060119618269782
Energy: 0.633977023169257
Energy: 0.594867470357073
Energy: 0.5883365681645034
Energy: 0.6153284335863394
Energy: 0.5992414828656416
Energy: 0.6345060772443597
Energy: 0.6472984030062281
Energy: 0.596588392814845
Energy: 0.698875818454221
Energy: 0.6511102474517885
Energy: 0.652966508291087
Energy: 0.6593295175170607
Energy: 0.6220225440975894
Energy: 0.6489499330921822
Energy: 0.6113315515642015
Energy: 0.6552394509190204
Energy: 0.5948290543721734
Energy: 0.6627285764553388
Energy: 0.6619860281984393
Energy: 0.634655944522299
Energy: 0.7156972090171774
Energy: 0.6102985496654567
Energy: 0.5786460361849074
Energy: 0.5899656301329632
Energy: 0.5716623558875737
Energy: 0.6125534406180391
Energy: 0.5973737164793749
Energy: 0.597894332971755
Energy: 0.6334748654404032
Energy: 0.6373970639186413
Energy: 0.6091944566983454
Energy: 0.6715841802349632
Energy: 0.6004466560349953
Energy: 0.6734240484383083
Energy: 0.6374694782781137
Energy: 0.5893818624125943
Energy: 0.6257705035181708
Energy: 0.5817245940018491
Energy: 0.5902334021609201
Energy: 0.5736152203388759
Energy: 0.5994648801827901
Energy: 0.6058002242055764
Energy: 0.6011363068545861
Energy: 0.620795637886079
Energy: 0.5864515282971106
Energy: 0.5819620963929015
Energy: 0.5975531837190318
Energy: 0.5783481127120927
Energy: 0.5740520690170868
Energy: 0.5795439636464476
Energy: 0.5951064776263828
Energy: 0.5728896028063205
Energy: 0.607995090056039
Energy: 0.5757416637013407
Energy: 0.5674006778406132
Energy: 0.6692671400966901
Energy: 0.5919057538498308
Energy: 0.6371680217213194
Energy: 0.5953330700556082
Energy: 0.642796398433605
Energy: 0.5783885158696936
Energy: 0.5763279174705691
Energy: 0.617874850919085
Energy: 0.6041945592091879
Energy: 0.6304102980538375
Energy: 0.5816821758998078
Energy: 0.6304873859646793
Energy: 0.5706569101414171
Energy: 0.6065565297907785
Energy: 0.6270950986474729
Energy: 0.5884934500790913
Energy: 0.5982885159989676
Energy: 0.578146758480493
Energy: 0.6777002987673327
Energy: 0.6316496743182919
Energy: 0.6377100489879733
Energy: 0.6779799100926993
Energy: 0.5793174512906107
Energy: 0.6867295722097637
Energy: 0.5907719077120709
Energy: 0.6379072325701393
Energy: 0.6141174023685861
Energy: 0.5979617267960582
Energy: 0.6009438058170188
Energy: 0.5717852199070222
Energy: 0.6628371697346152
Energy: 0.5877239765286847
Energy: 0.5874291056686907
Energy: 0.5731342287803718
Energy: 0.582763577670801
Energy: 0.6106956948707603
Energy: 0.5934059790198819
Energy: 0.6186325092085003
Energy: 0.6536880386019314
Energy: 0.6330645509483748
Energy: 0.6237926066903222
Energy: 0.6356969090605271
Energy: 0.6842117218946114
Energy: 0.6607914914991054
Energy: 0.573202080554543
Energy: 0.6374460916462341
Energy: 0.577052536680226
Energy: 0.6256723456767721
Energy: 0.6066179720817804
Energy: 0.5944896798237301
Energy: 0.6248316145557731
Energy: 0.6699857045224993
Energy: 0.5717102599089252
Energy: 0.6287641981610033
Energy: 0.6276364696296782
Energy: 0.5744536281819788
Energy: 0.5808364833540383
Energy: 0.596028681619374
Energy: 0.6512854776943501
Energy: 0.6470792395851194
Energy: 0.6848604215760127
Energy: 0.627707788826127
Energy: 0.6019344913089336
Energy: 0.6466996500301573
Energy: 0.617202253123529
Energy: 0.6340725318663956
Energy: 0.6097165771749464
Energy: 0.6278841652755083
Energy: 0.6037140717550948
Energy: 0.5906905491997045
Energy: 0.6147463642393618
Energy: 0.6068401387900139
Energy: 0.6280267500468119
Energy: 0.6428286748203265
Energy: 0.7404106037901791
Energy: 0.6757644743778886
Energy: 0.5924475553370686
Energy: 0.7135995352157828
Energy: 0.632149060169467
Energy: 0.6644157586769694
Energy: 0.590523095758061
Energy: 0.6136955547824875
Energy: 0.5875631852756371
Energy: 0.6065649262143642
Energy: 0.596514872180179
Energy: 0.5984420718472461
Energy: 0.6624637720432066
Energy: 0.5842155278830997
Energy: 0.5859890258605199
Energy: 0.6085370145328609
Energy: 0.610837352619716
Energy: 0.5681886724096414
Energy: 0.6330878483317198
Energy: 0.6479002396213294
Energy: 0.6546040797420128
Energy: 0.740615812340596
Energy: 0.6583855450974652
Energy: 0.6038823379445266
Energy: 0.740400232638852
Energy: 0.6578029018905286
Energy: 0.6319035227112944
Energy: 0.5872494028061491
Energy: 0.6527222694170626
Energy: 0.5960608257425638
Energy: 0.65171803826229
Energy: 0.6158195415585078
Energy: 0.5913604394551254
Energy: 0.6576801534533937
Energy: 0.6526538304082707
Energy: 0.652193774353336
Energy: 0.6711768909891962
Energy: 0.644563273356713
Energy: 0.6325431268100156
Energy: 0.6017155082035125
Energy: 0.6482665202432852
Energy: 0.5602517439352888
Energy: 0.6903611970011219
Energy: 0.6391707158752693
Energy: 0.6837352636245683
Energy: 0.6924690982468525
Energy: 0.6274502989575969
Energy: 0.5865112851746506
Energy: 0.6444370292368145
Energy: 0.5758816547780552
Energy: 0.5943604151435541
Energy: 0.611962934338712
Energy: 0.6167633907857184
Energy: 0.652174016237601
Energy: 0.6375558518891015
Energy: 0.6268909660879096
Energy: 0.602099227627432
Energy: 0.5827333091575957
Energy: 0.5920323001996417
Energy: 0.5836024015939979
Energy: 0.6322175728416008
Energy: 0.6504957763631382
Energy: 0.5992773729325052
Energy: 0.5908932926701989
Energy: 0.5935048787575885
Energy: 0.5820185117266379
Energy: 0.6316088094065445
Energy: 0.6137981018507944
Energy: 0.5957077056340891
Energy: 0.5793225031031454
Energy: 0.6554442062476805
Energy: 0.5680326765901124
Energy: 0.5955908977956473
Energy: 0.5986289443502295
Energy: 0.6058964164819864
Energy: 0.5883412268509011
Energy: 0.5890932757527576
Energy: 0.6589780389872015
Energy: 0.6271206250368654
Energy: 0.648796965310283
Energy: 0.6877099136945213
Energy: 0.5960222674265424
Energy: 0.6480431192997631
Energy: 0.5835908258652617
Energy: 0.6150633331703181
Energy: 0.5705507346975354
Energy: 0.5803465406003268
Energy: 0.627952356424922
Energy: 0.5787415382339081
Energy: 0.6007075163389116
Energy: 0.5849701886827431
Energy: 0.586322682244546
Energy: 0.5707062208120453
Energy: 0.5924087376206727
Energy: 0.6439392176452479
Energy: 0.5710060215019843
Energy: 0.5894952367718752
Energy: 0.6097277431886363
Energy: 0.6784886250009207
Energy: 0.6263018730185118
Energy: 0.643822373921967
Energy: 0.7015583689385785
Energy: 0.6142560261187332
Energy: 0.581527563561841
Energy: 0.5807796137040186
Energy: 0.6385646956040891
Energy: 0.5989283066839614
Energy: 0.6294818694449914
Energy: 0.5836609312676058
Energy: 0.5959314971316632
Energy: 0.66236489886312
Energy: 0.5916321251379963
Energy: 0.5955795791764337
Energy: 0.5872942422518181
Energy: 0.5808195954167924
Energy: 0.6103781236606204
Energy: 0.5961993333330717
Energy: 0.6274848475380704
Energy: 0.6099372145676166
Energy: 0.5822084814700105
Energy: 0.5727948030378077
Energy: 0.56786886840686
Energy: 0.6291755569196811
Energy: 0.5878540908552878
Energy: 0.5722952243426359
Energy: 0.6469251584611294
Energy: 0.5750155344830074
Energy: 0.6180990055250166
Energy: 0.5921872583444687
Energy: 0.5741409354604284
Energy: 0.6226066563434273
Energy: 0.6531436658173864
Energy: 0.5759503894498164
Energy: 0.6726582847045244
Energy: 0.6392346925008358
Energy: 0.6699538453459233
Energy: 0.6874849561743118
Energy: 0.5744117060066606
Energy: 0.6517974002208868
Energy: 0.6434849908320087
Energy: 0.6957308960335021
Energy: 0.6512566679022057
Energy: 0.6374685014238097
Energy: 0.6264256514090358
Energy: 0.6122839917728174
Energy: 0.6486722955853182
Energy: 0.6217337160592994
Energy: 0.6401507282542073
Energy: 0.6154717252685176
Energy: 0.6467328734490868
Energy: 0.6372426615894229
Energy: 0.6092242795723163
Energy: 0.6520392867943998
Energy: 0.6473036144951325
Energy: 0.7475771957877019
Energy: 0.679087427158637
Energy: 0.6101534998134814
Energy: 0.7150300838251609
Energy: 0.6945923062017504
Energy: 0.6443966736677204
Energy: 0.5924290344349951
Energy: 0.5712318528442041
Energy: 0.5675385658912405
Energy: 0.6049961112878398
Energy: 0.5819062366791532
Energy: 0.5912977433292586
Energy: 0.6943697160963381
Energy: 0.5956774564092433
Energy: 0.6243705916599789
Energy: 0.6062989948945886
Energy: 0.6386728622091459
Energy: 0.5828354164232293
Energy: 0.6147652938268703
Energy: 0.6343415222646046
Energy: 0.6126470594735185
Energy: 0.6145209083840925
Energy: 0.6213649906258661
Energy: 0.6252667351632549
Energy: 0.7036410815984668
Energy: 0.6611206284715184

minimum gb energy = 0.5602517439352888 eV
minimum distance =  3.10831826096137 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.6197405150709023
Energy: 0.7368005187100982
Energy: 0.5273837526039712
Energy: 0.5277758656854893
Energy: 0.5277065115150021
Energy: 0.5278644475941083
Energy: 0.5280019215874436
Energy: 0.5677022892254036
Energy: 0.6346064718512225
Energy: 0.5279140947431585
Energy: 0.5277095449872135
Energy: 0.527131940178252
Energy: 0.5278045198372315
Energy: 0.634833460846938
Energy: 0.5275835019415066
Energy: 0.6348474742720309
Energy: 0.5274942369250071
Energy: 0.5275908170369552
Energy: 0.5274113621181812
Energy: 0.5274054413517647
Energy: 0.5277271049743967
Energy: 0.5271855674049176
Energy: 0.6345876910481631
Energy: 0.5274767570299017
Energy: 0.5276200812052606
Energy: 0.5276857347318052
Energy: 0.527392311372876
Energy: 0.5275975629932051
Energy: 0.6497895968177014
Energy: 0.6341962251162301
Energy: 0.5339779977708083
Energy: 0.634929649480742
Energy: 0.5277482369214479
Energy: 0.5331843836381083
Energy: 0.6341988134154626
Energy: 0.6200526659946266
Energy: 0.6341769135273808
Energy: 0.5273336693020708
Energy: 0.5278391357991302
Energy: 0.527702404022069
Energy: 0.5281748414259876
Energy: 0.5281729400025834
Energy: 0.5665926330608173
Energy: 0.634726818276333
Energy: 0.5278172454144664
Energy: 0.5274916317714432
Energy: 0.5271836059057842
Energy: 0.5275605725990732
Energy: 0.6348826843534151
Energy: 0.5653876300295582
Energy: 0.63476995026477
Energy: 0.5275927601978675
Energy: 0.5274732969105896
Energy: 0.52750474499736
Energy: 0.5273271755000599
Energy: 0.6345764070055736
Energy: 0.6205901850502858
Energy: 0.6346443625706649
Energy: 0.5273934169969824
Energy: 0.5279334343392658
Energy: 0.5278785770560348
Energy: 0.5274175797893715
Energy: 0.5282045230571863
Energy: 0.6496780508039659
Energy: 0.6343676285268642
Energy: 0.6192876772183654
Energy: 0.6342123703900738
Energy: 0.6341302370217875
Energy: 0.619061546197571
Energy: 0.634167024149292
Energy: 0.6209314446001779
Energy: 0.6344678807543066
Energy: 0.5273461425045319
Energy: 0.5276671190265343
Energy: 0.5277759933886799
Energy: 0.527376744294369
Energy: 0.5282387029165494
Energy: 0.6235482459226611
Energy: 0.6347550236481216
Energy: 0.5275061358606485
Energy: 0.5276116412215602
Energy: 0.5274097858699068
Energy: 0.527553926623171
Energy: 0.6353043314998066
Energy: 0.5673302277230073
Energy: 0.634940918444616
Energy: 0.5277216406692923
Energy: 0.5275445851107973
Energy: 0.5277051794223244
Energy: 0.5278388296904153
Energy: 0.6345506482840481
Energy: 0.6198671041351118
Energy: 0.6347409427197572
Energy: 0.5274566291920352
Energy: 0.5279492736552942
Energy: 0.5284354159739061
Energy: 0.5280041280330607
Energy: 0.5281547380119999
Energy: 0.6499283393150412
Energy: 0.6342324342062746
Energy: 0.533231021483848
Energy: 0.5273130522162649
Energy: 0.5273785738139392
Energy: 0.5278348604468852
Energy: 0.6345996422214688
Energy: 0.5275116667399855
Energy: 0.6343185215625484
Energy: 0.5276232542637094
Energy: 0.5277628878762425
Energy: 0.5274837749249528
Energy: 0.5273831900987095
Energy: 0.5277130053228194
Energy: 0.6204545794944576
Energy: 0.6347517622776263
Energy: 0.5273979720104023
Energy: 0.5274791150210363
Energy: 0.5276037782418248
Energy: 0.5274903016401206
Energy: 0.5276278180558376
Energy: 0.6500590909057973
Energy: 0.6342816829615741
Energy: 0.5275914197722399
Energy: 0.5272314793179929
Energy: 0.5277670443032046
Energy: 0.5278412690826082
Energy: 0.6342545278920007
Energy: 0.619731328467251
Energy: 0.6342827738865459
Energy: 0.5274368531176823
Energy: 0.5278426409448671
Energy: 0.5279211852930853
Energy: 0.5276505712528221
Energy: 0.5280453040550892
Energy: 0.5674160726559797
Energy: 0.6349071454218649
Energy: 0.5276560118769426
Energy: 0.5276346705559372
Energy: 0.5271719204772946
Energy: 0.5277128650323621
Energy: 0.6346428657880299

minimum gb energy = 0.527131940178252 eV
minimum distance =  3.28770797663084 Angstroms
sigma value = 23