Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Au__MO_684444719999_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053508281708
cohesive_energy=3.9303141529833163
mass=196.9665
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=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.75048867112048e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75272444896358e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.1952926625592618e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44413502304444e-18, -4.81500541639386e-18, -6.75232535869398e-18, -9.61695309322062e-18, -1.410623599992228e-17, -2.1759801737007597e-17, -3.6448717335183e-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: 0.014574858168382521
Energy: 0.015793668892122956
Energy: 0.20534462481907123
Energy: 0.49463573047642645
Energy: 0.489839031342463
Energy: 0.1782384304104424
Energy: 0.015225136027991176
Energy: 0.015149990073559126
Energy: 0.4068588493809453
Energy: 0.1400470712384542
Energy: 0.20486563581405998
Energy: 0.36193656666964874
Energy: 0.015755504192154064
Energy: 0.059731245522489256
Energy: 0.015033707855156737
Energy: 0.4073415044966494
Energy: 0.13818846145763009
Energy: 0.20527505773998708
Energy: 0.36158435529800087
Energy: 0.058565386822319994
Energy: 0.05971614175988582
Energy: 0.016523150558176377
Energy: 0.20554812386477092
Energy: 0.20586065939459136
Energy: 0.6272649939367714
Energy: 0.49002355738647835
Energy: 0.05887828377811184
Energy: 0.015249022207259695
Energy: 0.05949296300787044
Energy: 0.49507471780730655
Energy: 0.14263116775535387
Energy: 0.2048794453161801
Energy: 0.36206194771126465
Energy: 0.01545712329501082
Energy: 0.05924966722325455
Energy: 0.014980937435778748
Energy: 0.3612189456097022
Energy: 0.20785997305429801
Energy: 0.20520870838620406
Energy: 0.20486901407150726
Energy: 0.05852473441577329
Energy: 0.05948641515130832

minimum gb energy = 0.014574858168382521 eV
minimum distance =  2.85699355604862 Angstroms
sigma value = 5


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

Energy: 0.6876595623873656
Energy: 0.6111510572891147
Energy: 0.6997907973853755
Energy: 0.6441399434720845
Energy: 0.6446975037862251
Energy: 0.6453334255768748
Energy: 0.6115440855205073
Energy: 0.6067918552888656
Energy: 0.6364254600253197
Energy: 0.6106276443885165
Energy: 0.6590802675765505
Energy: 0.6283213520568391
Energy: 0.6143342317183643
Energy: 0.6540458340254239
Energy: 0.6015975927107751
Energy: 0.6644540204744235
Energy: 0.6720036933309791
Energy: 0.6223867556821527
Energy: 0.6403475410847135
Energy: 0.6631389013928766
Energy: 0.6342055908727183
Energy: 0.6103189194793344
Energy: 0.6358827301231103
Energy: 0.6195699623600712
Energy: 0.6249083819184317
Energy: 0.6254763774194471
Energy: 0.6130912944569816
Energy: 0.6344695803629253
Energy: 0.6456505647151223
Energy: 0.6187538226935554
Energy: 0.6405645573254861
Energy: 0.6245771457405817
Energy: 0.6494116601281269
Energy: 0.6494880270947577
Energy: 0.6374137639524127
Energy: 0.6322608182315501
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Energy: 0.6398581233224268
Energy: 0.6105546952764122
Energy: 0.6319751752147281
Energy: 0.6623474074330487
Energy: 0.6386819622043811
Energy: 0.6775280182016007
Energy: 0.6225737236891808
Energy: 0.6431534399731575
Energy: 0.6770933280584949
Energy: 0.6266021324294868
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Energy: 0.6260619527439881
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Energy: 0.6654497637753368
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Energy: 0.6306074184390305
Energy: 0.6793587250466595
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Energy: 0.6380014272739032
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Energy: 0.6847496231386779
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Energy: 0.6035351386473089
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Energy: 0.6213138550181335
Energy: 0.644141086582761
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Energy: 0.6613275994937308
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Energy: 0.6312592865043185
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Energy: 0.6090495602508871
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Energy: 0.6785211396232501
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Energy: 0.6432337467287087
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Energy: 0.6441761494017036
Energy: 0.6391466170971917
Energy: 0.6553227604831375
Energy: 0.6320192662064988
Energy: 0.676366305006854
Energy: 0.6063750758397595
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Energy: 0.6242233191462964
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Energy: 0.6326676638014226
Energy: 0.698035622487027
Energy: 0.6534330998316729
Energy: 0.6064512637966991
Energy: 0.643741168233606
Energy: 0.608139145844786
Energy: 0.6374015691133432
Energy: 0.6232416633684384
Energy: 0.6160407402957241
Energy: 0.6398439772303328
Energy: 0.6960915753434542
Energy: 0.6608417987527385
Energy: 0.6968979386710701
Energy: 0.6576102144574603
Energy: 0.660841243818745
Energy: 0.6613922431799114
Energy: 0.631661053443633
Energy: 0.6190784593769788
Energy: 0.6927972731110684
Energy: 0.6151711940302498
Energy: 0.6394865630964549
Energy: 0.6302146117845997
Energy: 0.6260379285039104
Energy: 0.6669013184861732
Energy: 0.724731505814013
Energy: 0.6245824834966772
Energy: 0.6738567371393263
Energy: 0.6400779972650384
Energy: 0.6574102921462632
Energy: 0.6347513707422942
Energy: 0.6098624688250139
Energy: 0.6244672782181135
Energy: 0.6384051057534814
Energy: 0.6684388332829673
Energy: 0.6334965138690812
Energy: 0.6507374295091145
Energy: 0.6052500289334152
Energy: 0.606661443302056
Energy: 0.6130425338009033
Energy: 0.6650589616945879
Energy: 0.6675949533668886
Energy: 0.6313370657612747
Energy: 0.6327873335274471
Energy: 0.6610696268271019
Energy: 0.6330538507194783

minimum gb energy = 0.6015975927107751 eV
minimum distance =  2.60421295131633 Angstroms
sigma value = 401


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

Energy: 0.6843881841384032
Energy: 0.6201095162233318
Energy: 0.6489621615323319
Energy: 0.6397732673665115
Energy: 0.6290406039026332
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Energy: 0.6824377323469323
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Energy: 0.6194298198995428
Energy: 0.6143465999744828
Energy: 0.6177017794563976
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Energy: 0.6325326399499023
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Energy: 0.6287685861163346
Energy: 0.6108850729755121
Energy: 0.598897284679469
Energy: 0.6042456618330125
Energy: 0.674469691502811
Energy: 0.6708507857150047
Energy: 0.6133202047019074
Energy: 0.6215865209854671
Energy: 0.6063182627253553
Energy: 0.5982246871436008
Energy: 0.6186311476619291
Energy: 0.6650224734482905
Energy: 0.6302679943220333
Energy: 0.6692040259635913
Energy: 0.6201977482667673
Energy: 0.6204723564338781
Energy: 0.6146598347943877
Energy: 0.6487534649150967
Energy: 0.6538836561470632
Energy: 0.6109649884498616
Energy: 0.6305868290504978
Energy: 0.6440307392794027
Energy: 0.7107734573575615
Energy: 0.6308468721492769
Energy: 0.7000841271944499
Energy: 0.647585438090442
Energy: 0.6516686773031657
Energy: 0.6484706325869003
Energy: 0.6413926167355234
Energy: 0.6190920867434665
Energy: 0.6802202737230858
Energy: 0.6194744523829795
Energy: 0.6309163626694246
Energy: 0.6118588734055678
Energy: 0.6275376076880637
Energy: 0.6471265576857664
Energy: 0.6267583061185196
Energy: 0.6179907475971341
Energy: 0.6230147581542234
Energy: 0.6254550491224402
Energy: 0.610593706291456
Energy: 0.6209443825286773
Energy: 0.6403984747681787
Energy: 0.6282203844092135
Energy: 0.6809795911075862
Energy: 0.6271667759848376
Energy: 0.625370614564633
Energy: 0.6308583252100045
Energy: 0.6282632877043276
Energy: 0.6375680652358021
Energy: 0.6088258753201087
Energy: 0.6032148291820688
Energy: 0.6623178640049997
Energy: 0.6384052186240429
Energy: 0.7395657989653703
Energy: 0.6400838576146978
Energy: 0.6161473906181307
Energy: 0.6370702474705967
Energy: 0.6306976766573118
Energy: 0.618887713018292
Energy: 0.6662608388791209
Energy: 0.6203436011222787
Energy: 0.6383157240397722
Energy: 0.6357644087546819
Energy: 0.6177057931883294
Energy: 0.6192516849738068
Energy: 0.635379706618337
Energy: 0.6629524675347305
Energy: 0.7164187475744953
Energy: 0.6561151383868913
Energy: 0.6331331477508315
Energy: 0.6268313099515516
Energy: 0.6000282518746851
Energy: 0.6094464031671999
Energy: 0.6495879402850023
Energy: 0.6568238871070384
Energy: 0.6673174882672458
Energy: 0.6224951619683569
Energy: 0.6175186522250774
Energy: 0.598094297102782
Energy: 0.6200167461750425
Energy: 0.6835172811999556
Energy: 0.6217176034251031
Energy: 0.6497827730904897
Energy: 0.6143819461031714
Energy: 0.625966562798386
Energy: 0.6167791783853134
Energy: 0.6192349364285636
Energy: 0.6670831560944899
Energy: 0.6093992528363321
Energy: 0.6210814496729801
Energy: 0.6203490837084004
Energy: 0.6161879451149012
Energy: 0.6353972995781005
Energy: 0.68134019629917
Energy: 0.6422736222612302
Energy: 0.6129146049517882
Energy: 0.6341057996872873
Energy: 0.6414193294182741
Energy: 0.6115852052814701
Energy: 0.649006887107701
Energy: 0.6312846428029193
Energy: 0.6205165507279164
Energy: 0.617918224904598
Energy: 0.6302066617992133
Energy: 0.6264791940179331
Energy: 0.6406244505928264
Energy: 0.6238605923308191
Energy: 0.6160092206511466
Energy: 0.6232512668091598

minimum gb energy = 0.5950727856190723 eV
minimum distance =  2.5854932573376 Angstroms
sigma value = 311


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

Energy: 0.6416408934394001
Energy: 0.6147507540728775
Energy: 0.6657599822332088
Energy: 0.6133377584325267
Energy: 0.6429309288974548
Energy: 0.6512884018466615
Energy: 0.610044044252127
Energy: 0.6180051399880554
Energy: 0.6195266219111629
Energy: 0.6411881456472538
Energy: 0.6215802767456651
Energy: 0.6388531040351225
Energy: 0.6324043263554653
Energy: 0.6481309297570098
Energy: 0.6035178405051593
Energy: 0.597117600565191
Energy: 0.6291139091782727
Energy: 0.6047523773062454
Energy: 0.6533748708437591
Energy: 0.6148050257626184
Energy: 0.630057409916897
Energy: 0.6381867246947214
Energy: 0.603457589643871
Energy: 0.6265036964021781
Energy: 0.6586223244709832
Energy: 0.6245426283787595
Energy: 0.6165502590989882
Energy: 0.6455398665738624
Energy: 0.6568229364168501
Energy: 0.6363227408593589
Energy: 0.6153422482660919
Energy: 0.6848174663585879
Energy: 0.6358542856985786
Energy: 0.6237866973146733
Energy: 0.6493371012175643
Energy: 0.6269929999422177
Energy: 0.6262075198134848
Energy: 0.613585864784759
Energy: 0.6024799035722326
Energy: 0.6473364409463859
Energy: 0.6259709771933247
Energy: 0.6203513233871348
Energy: 0.6466764253217707
Energy: 0.5975017215389593
Energy: 0.6236883294334991
Energy: 0.6042492513637825
Energy: 0.6409860667225397
Energy: 0.6553910505322441
Energy: 0.5937526795511122
Energy: 0.6388786443773352
Energy: 0.6361614217424647
Energy: 0.6202523165605445
Energy: 0.6219525551434254
Energy: 0.6342232865983255
Energy: 0.6138225083372738
Energy: 0.6241658885538469
Energy: 0.6235276927180322
Energy: 0.6224061042430339
Energy: 0.6150023673035822
Energy: 0.6204843751067144
Energy: 0.6353934037186505
Energy: 0.5990200332216625
Energy: 0.6179464673493753
Energy: 0.6278957887384783
Energy: 0.6784679459290596
Energy: 0.649107309537132
Energy: 0.6040988633799643
Energy: 0.6296723339525715
Energy: 0.6098780688597316
Energy: 0.6152863475181757
Energy: 0.627981996128279
Energy: 0.6340254250755467
Energy: 0.6634176823775256
Energy: 0.6451916629591523
Energy: 0.6475285787950475
Energy: 0.6464661272201508
Energy: 0.6377499660293201
Energy: 0.6211753777231338
Energy: 0.6276092486119953
Energy: 0.6183672051272611
Energy: 0.6113306107587904
Energy: 0.6348250968430885
Energy: 0.6131630767687334
Energy: 0.6212514000531519
Energy: 0.6259762395950147
Energy: 0.5977396051501302
Energy: 0.6313957640753726
Energy: 0.6074816985639826
Energy: 0.6395340274654198
Energy: 0.6255961544699474
Energy: 0.6089357696315824
Energy: 0.6352111711758729
Energy: 0.6271107518294387
Energy: 0.6411281306314179
Energy: 0.6672804459836658
Energy: 0.6713106704887565
Energy: 0.6811913423845467
Energy: 0.650956210362893
Energy: 0.6262305408664145
Energy: 0.6277776209745352
Energy: 0.6131065185503757
Energy: 0.6088076675248644
Energy: 0.6244273333337026
Energy: 0.6157173748503116
Energy: 0.6245044307138455
Energy: 0.6219741583013949
Energy: 0.6454413268788644
Energy: 0.6348503528492011
Energy: 0.6257746549876144
Energy: 0.6338470761119014
Energy: 0.608962555019936
Energy: 0.6267888466500453
Energy: 0.647492435756489
Energy: 0.6365398860330398
Energy: 0.6252688371505334
Energy: 0.6173781109358958
Energy: 0.6466717941572799
Energy: 0.6305343983669259
Energy: 0.6316206761246643
Energy: 0.6127510584271486
Energy: 0.6327690172659823
Energy: 0.6222066428430585
Energy: 0.6166824793814529
Energy: 0.6211470788374309
Energy: 0.6061765487939422
Energy: 0.6382903608340612
Energy: 0.6371486681921716
Energy: 0.6322666216442786
Energy: 0.6404270552983835
Energy: 0.5932464905899683
Energy: 0.6498686895413098
Energy: 0.6226975380570973
Energy: 0.6355581461935828
Energy: 0.6692880382628688
Energy: 0.6809476152023193
Energy: 0.6584849003213713
Energy: 0.6417181371354426
Energy: 0.6913711314980163
Energy: 0.6690368224832295
Energy: 0.6881547053477312
Energy: 0.6260408788672187
Energy: 0.6565517027231027
Energy: 0.6351896707915848
Energy: 0.6123585911818918
Energy: 0.6370362004811119
Energy: 0.6389285359240199
Energy: 0.6325838690563057
Energy: 0.6225994235262549
Energy: 0.6262807186056332
Energy: 0.6144963958361658
Energy: 0.6070433469778325
Energy: 0.6152327827302727
Energy: 0.6209378554171326
Energy: 0.6261151795952785
Energy: 0.6385001920309216
Energy: 0.6322358535888837
Energy: 0.6296687963869209
Energy: 0.6224005608284787
Energy: 0.6344871733511074
Energy: 0.6593055447770174
Energy: 0.6254461569568276
Energy: 0.6161094709000624
Energy: 0.6616077092433967
Energy: 0.6241988291246904
Energy: 0.627985016577421
Energy: 0.6280878562102359
Energy: 0.617806139340377
Energy: 0.6539134054087888
Energy: 0.6527395993052976
Energy: 0.6501323940129218
Energy: 0.6218592514155067
Energy: 0.6223263845629081
Energy: 0.6279188052626241
Energy: 0.6310581526326108
Energy: 0.6092624187713839
Energy: 0.6213402849666032
Energy: 0.6951731012017792
Energy: 0.6507493204330569
Energy: 0.6689581654507095
Energy: 0.7132234697249319
Energy: 0.6692494632686413
Energy: 0.6614160810689709
Energy: 0.6153026263689246
Energy: 0.6095624768331683
Energy: 0.6209894586139242
Energy: 0.6183407078269301
Energy: 0.6257955697879408
Energy: 0.6170019822064315
Energy: 0.6215610502160083
Energy: 0.6264612039451257
Energy: 0.6398380880976339
Energy: 0.6281366461637758
Energy: 0.5986778161753086
Energy: 0.6242830447177916
Energy: 0.6070524424786152
Energy: 0.6052988188076076
Energy: 0.632923166200131
Energy: 0.6150223310624645
Energy: 0.6381266568924377
Energy: 0.6362042217450733
Energy: 0.6622623313423986
Energy: 0.6194752675439015
Energy: 0.6292244172469277
Energy: 0.639336572762854
Energy: 0.6039473585457622
Energy: 0.6191761590102657
Energy: 0.6597052816218193
Energy: 0.6343444817920925
Energy: 0.621975154598261
Energy: 0.6106572390304322
Energy: 0.6154406432483547
Energy: 0.5959571396422283
Energy: 0.6185731092950435
Energy: 0.643797460287548
Energy: 0.6345255063311975
Energy: 0.6093094497200774
Energy: 0.6238932226337992
Energy: 0.6219662183414628
Energy: 0.6337165271329818
Energy: 0.6206379341155235
Energy: 0.666357262818525
Energy: 0.7080629322491562
Energy: 0.61844450709688
Energy: 0.6294386346314123
Energy: 0.6247554615185916
Energy: 0.5938078460711576
Energy: 0.6143304434751478
Energy: 0.6042490072620867
Energy: 0.6401523558704454
Energy: 0.6126763950927505
Energy: 0.6414362560091129
Energy: 0.6123165373364089
Energy: 0.6173343902948799
Energy: 0.6195821959069414
Energy: 0.6488743524606652
Energy: 0.6072126409312019
Energy: 0.6231234260726426
Energy: 0.6329791631152578
Energy: 0.6326930394623634
Energy: 0.6314476251123966
Energy: 0.6569499181812553
Energy: 0.7165859871443414
Energy: 0.6444513142901794
Energy: 0.6985734691814324
Energy: 0.6246104279802018
Energy: 0.6403535404421247
Energy: 0.6038545840402547
Energy: 0.6132169525714037
Energy: 0.639576875611017
Energy: 0.6200737045205473
Energy: 0.6096935919093321
Energy: 0.6123048475418881

minimum gb energy = 0.5932464905899683 eV
minimum distance =  2.61890470793517 Angstroms
sigma value = 39


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

Energy: 0.5755979676267877
Energy: 0.5626844476646979
Energy: 0.793138006233862
Energy: 0.7077601241348667
Energy: 0.6464025468144965
Energy: 0.6716790010263156
Energy: 0.5626154655044049
Energy: 0.5619240290316222
Energy: 0.6276673945405171
Energy: 0.673071195614298
Energy: 0.6510165513829214
Energy: 0.6105909985139463
Energy: 0.619130036141191
Energy: 0.6138570683307538
Energy: 0.6191946542384005
Energy: 0.6009565861350724
Energy: 0.6079383340807222
Energy: 0.6460289945199318
Energy: 0.6108569453287084
Energy: 0.619707601073348
Energy: 0.6170804821499448
Energy: 0.6174659230879819
Energy: 0.5991318251485107
Energy: 0.6099324669904895
Energy: 0.6093316125170651
Energy: 0.6517503452778445
Energy: 0.6090134595646861
Energy: 0.6622640469346707
Energy: 0.6368462727151024
Energy: 0.6093125819904882
Energy: 0.6648712279580169
Energy: 0.6093821303043498
Energy: 0.6455005613675432
Energy: 0.612375188723246
Energy: 0.6173779854581818
Energy: 0.5621446452959536
Energy: 0.6102659514914959
Energy: 0.6076580160354281
Energy: 0.6012976415387259
Energy: 0.6289623416740953
Energy: 0.6205418367194443
Energy: 0.6276546452795285
Energy: 0.6184636949464316
Energy: 0.6173006755810543
Energy: 0.6052667606001664
Energy: 0.7796965435461098
Energy: 0.5638028377849014
Energy: 0.5646331381819838
Energy: 0.6127230328715182
Energy: 0.5636519166115272
Energy: 0.6302180835679103
Energy: 0.6743148195100453
Energy: 0.6003034773765541
Energy: 0.674124946350243
Energy: 0.6084921966245342
Energy: 0.6672452682684759
Energy: 0.563801668977204
Energy: 0.6296474489939553
Energy: 0.6749982920718095
Energy: 0.6007505339801943
Energy: 0.6087418519552239
Energy: 0.6077466787843344
Energy: 0.6255255014157483
Energy: 0.6177485110441735
Energy: 0.6185025418153455
Energy: 0.6093443348549541
Energy: 0.6438380774304363
Energy: 0.6100018676282376
Energy: 0.6176472252380963
Energy: 0.6174179437366213
Energy: 0.6196094470179222
Energy: 0.5992721196018475
Energy: 0.6110960953251722
Energy: 0.5988368616590661
Energy: 0.609120392278835
Energy: 0.6267182044452434
Energy: 0.664920868267178
Energy: 0.6275494449272125
Energy: 0.6110301051230463
Energy: 0.597405389693493
Energy: 0.5994514550434915
Energy: 0.6508754466106853
Energy: 0.6090453222841716
Energy: 0.6235071185199911
Energy: 0.56368580655842
Energy: 0.6098642715278886
Energy: 0.6751276301732583
Energy: 0.6103059248101188
Energy: 0.6644935406320478
Energy: 0.6088794278314142
Energy: 0.6179155026154659
Energy: 0.6186325595884491
Energy: 0.6006336129906397
Energy: 0.6076205472465713
Energy: 0.6644677602727285
Energy: 0.5634534935194253
Energy: 0.5648408691615665
Energy: 0.6145269530523491
Energy: 0.5619784454696727
Energy: 0.6154591546121847
Energy: 0.6077123099559255
Energy: 0.6517476628685158
Energy: 0.562444910793676
Energy: 0.5624615491691323
Energy: 0.6144356568611213
Energy: 0.5758212576712722
Energy: 0.6485889534256285
Energy: 0.6299731299119532
Energy: 0.6081744539553223
Energy: 0.645915312412014
Energy: 0.6717209294966164
Energy: 0.5625226796683656
Energy: 0.6229089614326978
Energy: 0.6262277147236873
Energy: 0.673396332086786
Energy: 0.6515261554332225
Energy: 0.610208105723653
Energy: 0.6198844495600775
Energy: 0.6142441585892643
Energy: 0.6197298078932015
Energy: 0.6010689994173355
Energy: 0.6093327109294918
Energy: 0.6459444553340739
Energy: 0.6108689323456078
Energy: 0.6195992217374208
Energy: 0.6169029919633574
Energy: 0.617421784153004
Energy: 0.5996442892688578
Energy: 0.6098019268909153
Energy: 0.609774231422759
Energy: 0.6517217485437501
Energy: 0.6074887708442605
Energy: 0.7015363463938011
Energy: 0.6192550499552649
Energy: 0.6095834759829337
Energy: 0.6648252302257115
Energy: 0.6094277718857632
Energy: 0.6460387453606893
Energy: 0.6126674835427316
Energy: 0.6216406355985886
Energy: 0.5621509298487795
Energy: 0.6103115841511741
Energy: 0.6076778640880754
Energy: 0.6013994999176527
Energy: 0.6281956715033703
Energy: 0.5622042918858703
Energy: 0.6159425225799093
Energy: 0.6181850894701876
Energy: 0.6168017904663957
Energy: 0.6054422869351577
Energy: 0.7800461278304385
Energy: 0.5637982102614333
Energy: 0.5648210055851891
Energy: 0.6127722784476145
Energy: 0.5633897840322849
Energy: 0.6289332084051343
Energy: 0.7067646856399467
Energy: 0.6006487738100114
Energy: 0.6738631291882082
Energy: 0.6086930775231925
Energy: 0.6171969341609592
Energy: 0.5640220394463972
Energy: 0.6294433593429563
Energy: 0.6636221818327102
Energy: 0.6004458026077848
Energy: 0.6089325861878933
Energy: 0.6081114343438476
Energy: 0.6254387617295103
Energy: 0.61792261714298
Energy: 0.6184181198111128
Energy: 0.6093222300920904
Energy: 0.643829698315153
Energy: 0.6098168420666283
Energy: 0.6183195231394072
Energy: 0.617808815316034
Energy: 0.619207805288517
Energy: 0.5991945258108293
Energy: 0.6111856713169068
Energy: 0.5991480272561582
Energy: 0.6089638629777757
Energy: 0.6073387248336262
Energy: 0.6650533845398666
Energy: 0.6276078006118074
Energy: 0.6108107475883128
Energy: 0.5974580611075486
Energy: 0.5994681430178408
Energy: 0.6511397004949316
Energy: 0.6067546321549981
Energy: 0.6235869662389087
Energy: 0.5641105981219046
Energy: 0.6094937063151691
Energy: 0.6750730554130372
Energy: 0.6107212107788956
Energy: 0.6646150710075563
Energy: 0.6092891988303853
Energy: 0.6202829173812514
Energy: 0.6184029141605075
Energy: 0.6009431297148765
Energy: 0.6072865924865388
Energy: 0.6442071067695196
Energy: 0.5633119236013284
Energy: 0.5645371523612921
Energy: 0.6143198888158022
Energy: 0.5617813110429783
Energy: 0.6155212373492235
Energy: 0.6116402442984764
Energy: 0.6009032889770753
Energy: 0.5625601076460084
Energy: 0.5625620324206065
Energy: 0.6143682802025104

minimum gb energy = 0.5617813110429783 eV
minimum distance =  2.64363113676087 Angstroms
sigma value = 21


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

Energy: 0.7855539243358876
Energy: 0.6699204400292353
Energy: 0.607669953812616
Energy: 0.8383045082863236
Energy: 0.6244069590650262
Energy: 0.6219590408637505
Energy: 0.6953141194858896
Energy: 0.645309930446938
Energy: 0.6435282033082396
Energy: 0.6167728147342714
Energy: 0.6218992947556435
Energy: 0.540764220661799
Energy: 0.6132198435828193
Energy: 0.6688874638250548
Energy: 0.6335493983509591
Energy: 0.5850347679569002
Energy: 0.6290231668838854
Energy: 0.623380914319889
Energy: 0.5667491185808339
Energy: 0.6332437888556066
Energy: 0.6083767627951482
Energy: 0.579233650864892
Energy: 0.5975589519339276
Energy: 0.6702499974225058
Energy: 0.6125288663124036
Energy: 0.5670969164140127
Energy: 0.6672134437442153
Energy: 0.6702273693010516
Energy: 0.6080918781227816
Energy: 0.589824369074483
Energy: 0.6045852576597832
Energy: 0.5832966296491009
Energy: 0.5815060652138981
Energy: 0.6127450633139468
Energy: 0.6136114978590875
Energy: 0.5809147229214816
Energy: 0.5906802904244479
Energy: 0.6148207208242624
Energy: 0.6020282004875823
Energy: 0.6219683633715046
Energy: 0.5981251534143284
Energy: 0.6085351515370192
Energy: 0.6730333127499064
Energy: 0.6029944814058722
Energy: 0.5900043330455403
Energy: 0.6260204635949177
Energy: 0.594358428373341
Energy: 0.5939546269959357
Energy: 0.610946430827849
Energy: 0.6039542157595764
Energy: 0.6032540850365432
Energy: 0.6217969983337458
Energy: 0.630387001191125
Energy: 0.5617364948655498
Energy: 0.6143657394809802
Energy: 0.6164006288839867
Energy: 0.6283960849482587
Energy: 0.6216948906454423
Energy: 0.656328560167444
Energy: 0.6150126205830442
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Energy: 0.6351632499360746
Energy: 0.6002087932093306
Energy: 0.7196098571361188
Energy: 0.6621728441652653
Energy: 0.6021085903287127
Energy: 0.6373754005759656
Energy: 0.631675155284518
Energy: 0.668343100438562
Energy: 0.5918271373283017
Energy: 0.6119232069527252
Energy: 0.619524364899296
Energy: 0.5987752610668988
Energy: 0.6340597436614844
Energy: 0.6037774714026128
Energy: 0.5890154515483527
Energy: 0.6309582097181297
Energy: 0.6984590844154941
Energy: 0.6234343747358057
Energy: 0.6887575744050856
Energy: 0.6480895589755842
Energy: 0.6655173219506809
Energy: 0.7210199843292896
Energy: 0.6240178459115628
Energy: 0.719024734647813
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Energy: 0.6254527967488144
Energy: 0.5655914925073399
Energy: 0.679295975005828
Energy: 0.5685428713915662
Energy: 0.7159958840082497
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Energy: 0.6045793367812786
Energy: 0.5702052266079872
Energy: 0.6097314499042633
Energy: 0.6068016421988205
Energy: 0.6170765260040385
Energy: 0.6111378734296997
Energy: 0.6046292261888713
Energy: 0.6757701197642899
Energy: 0.620891613884121
Energy: 0.7348692506139949
Energy: 0.6019387080964268
Energy: 0.6216500241132245
Energy: 0.7124126902479507
Energy: 0.6223480897128949
Energy: 0.5965249587599347
Energy: 0.6322565833734867
Energy: 0.5680713918633763
Energy: 0.6260459093821963
Energy: 0.6220551815575118
Energy: 0.5849500433015759
Energy: 0.6334117363965669
Energy: 0.5962753354944936
Energy: 0.5375594705511639
Energy: 0.5751908050975634
Energy: 0.6226243680174997
Energy: 0.6401590619999351
Energy: 0.6024467611227752
Energy: 0.588460512029094
Energy: 0.648436471058953
Energy: 0.5811787402649471
Energy: 0.5624606228550152
Energy: 0.6184991540162806
Energy: 0.6094687758275291
Energy: 0.5838349577584953
Energy: 0.6014633531071525
Energy: 0.6010304712623294
Energy: 0.5964592785956375
Energy: 0.5931972458852305
Energy: 0.6102760198168964
Energy: 0.6064355933734106
Energy: 0.599946243832479
Energy: 0.6143290947779988
Energy: 0.6176983998836224
Energy: 0.6266267484272122
Energy: 0.62274498593049
Energy: 0.6453944762928115
Energy: 0.6008276112583462
Energy: 0.6675570585698342
Energy: 0.6064681667947379
Energy: 0.6372087508713694
Energy: 0.5818725261147123
Energy: 0.6222096253711192
Energy: 0.61312303042363
Energy: 0.6264665691601818
Energy: 0.5792979387976517
Energy: 0.5901249789316856
Energy: 0.6138782827367799
Energy: 0.6204297385811656
Energy: 0.6274372555907269
Energy: 0.6013712896283467
Energy: 0.613236519692246
Energy: 0.7585921403850012
Energy: 0.6138333396764168
Energy: 0.6096566170131704
Energy: 0.6151256941119756
Energy: 0.6150547978057505
Energy: 0.6324320589345455
Energy: 0.6015800844822453
Energy: 0.60344080552344
Energy: 0.6060017921732628
Energy: 0.5719733804557
Energy: 0.6227662581776825
Energy: 0.7380172136114893
Energy: 0.7416673896100007
Energy: 0.6564775545279151
Energy: 0.5795579517196846
Energy: 0.5985421315605387
Energy: 0.5886375172577355
Energy: 0.6318095137129968
Energy: 0.6097566675423327
Energy: 0.6581845574371433
Energy: 0.6119436385211201

minimum gb energy = 0.5375594705511639 eV
minimum distance =  2.62176905269272 Angstroms
sigma value = 113


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

Energy: 0.7290117691336363
Energy: 0.7273597262038144
Energy: 0.7961324032781781
Energy: 0.6592766291674552
Energy: 0.7327502413111776
Energy: 0.7297585076379801
Energy: 0.6162953969790532
Energy: 0.6787490388566823
Energy: 0.6141307280024803
Energy: 0.6650913748407726
Energy: 0.616093169323198
Energy: 0.7113761071466942
Energy: 0.5858642818909766
Energy: 0.7320191293768151
Energy: 0.7349080359589446
Energy: 0.6661689857915557
Energy: 0.6993880466735377
Energy: 0.6599439539684775
Energy: 0.7143244467275737
Energy: 0.6077716012952187
Energy: 0.7027106332006704
Energy: 0.722271702414324
Energy: 0.6681863874576713
Energy: 0.6943525978312199
Energy: 0.74967890709301
Energy: 0.7387884866608739
Energy: 0.6912840247218458
Energy: 0.7023191902109708
Energy: 0.5780221102457703
Energy: 0.6151396313186043
Energy: 0.6365458243873486
Energy: 0.6635095823246062
Energy: 0.6416587995409008
Energy: 0.6847342940603642
Energy: 0.7181048825927501
Energy: 0.63834242745285
Energy: 0.6688104015731543
Energy: 0.6770958897679024
Energy: 0.6688171825173278
Energy: 0.6690398587192226
Energy: 0.6774145630988739
Energy: 0.6774783549058659
Energy: 0.6625475252852429
Energy: 0.5908087747278872
Energy: 0.6999036698423801
Energy: 0.6193433960326175
Energy: 0.6960070081850286
Energy: 0.6690473641924052
Energy: 0.6705898110117177
Energy: 0.6450370269874212
Energy: 0.6190220907325996
Energy: 0.5964091603226999
Energy: 0.6178899773251523
Energy: 0.652823417545238
Energy: 0.5940958919952348
Energy: 0.58203794876093
Energy: 0.5820501101234321
Energy: 0.657901260157013
Energy: 0.6472507801487034
Energy: 0.5904222548085619
Energy: 0.6842151900332005
Energy: 0.7550209743049238
Energy: 0.6420913468446897
Energy: 0.7143934261918652
Energy: 0.6289811823542556
Energy: 0.592015534167094
Energy: 0.6237452454022845
Energy: 0.606565296883132
Energy: 0.6093350606921432
Energy: 0.6065317088392319
Energy: 0.6370588990811786
Energy: 0.607708252643416
Energy: 0.5918400098007196
Energy: 0.5728660017658196
Energy: 0.629645491901276
Energy: 0.6697461737466502
Energy: 0.6410685033642997
Energy: 0.6093531675836341
Energy: 0.592642886904447
Energy: 0.6784228493619475
Energy: 0.6809344947708401
Energy: 0.6507234263958113
Energy: 0.7064708906802034
Energy: 0.5971868881958484
Energy: 0.6827479137549519
Energy: 0.6062198212258314
Energy: 0.6281734985640298
Energy: 0.6271196878226781
Energy: 0.6358301245992009
Energy: 0.629180563430434
Energy: 0.5959901682832048
Energy: 0.6804322870867049
Energy: 0.5947117427576024
Energy: 0.667782698554036
Energy: 0.6216610550469338
Energy: 0.6025364498492602
Energy: 0.6716015114135733
Energy: 0.6133149780403444
Energy: 0.5979705859682339
Energy: 0.7475056476061634
Energy: 0.6476974559951838
Energy: 0.6231445274321237
Energy: 0.6338916850864892
Energy: 0.6526762777711803
Energy: 0.6352252150192932
Energy: 0.5752364417897936
Energy: 0.6201318309135058
Energy: 0.6565450968948767
Energy: 0.6458381695187055
Energy: 0.6099805121409415
Energy: 0.681476117932703
Energy: 0.6817724195170354
Energy: 0.6643562824579564
Energy: 0.6926693399621139
Energy: 0.6560706094852952
Energy: 0.7205203641326736
Energy: 0.7029528716877789
Energy: 0.724478792773676
Energy: 0.5905821353500774
Energy: 0.649839240309187
Energy: 0.7103605826158802
Energy: 0.6960155961438621
Energy: 0.7387656864138452
Energy: 0.7184372903240542
Energy: 0.6802556567894618
Energy: 0.7239627372458275
Energy: 0.6696068701151
Energy: 0.7101077538219449
Energy: 0.6220631191699318
Energy: 0.669071488827928
Energy: 0.6487443012365897
Energy: 0.6441748801628704
Energy: 0.6745448987057603
Energy: 0.6088665726774382
Energy: 0.6673554834590213
Energy: 0.7446312357955179
Energy: 0.6721441289553083
Energy: 0.7334946655111114
Energy: 0.6912991463447367
Energy: 0.7232592786031592
Energy: 0.6983122524863101
Energy: 0.6122643734769116
Energy: 0.6206207961297354
Energy: 0.6622477499418544
Energy: 0.7339419802989525
Energy: 0.7173181946945437
Energy: 0.7294426144479451
Energy: 0.6995133514688215
Energy: 0.6746485577214045
Energy: 0.699261302171565
Energy: 0.6988128660619478
Energy: 0.7411909541849798
Energy: 0.7174852558178669
Energy: 0.7232990334853577
Energy: 0.7278566200642945
Energy: 0.6600660203969223
Energy: 0.7916309944267131
Energy: 0.7593762115801914
Energy: 0.7321320899458928
Energy: 0.6911216026940387
Energy: 0.6646294650658118
Energy: 0.6909190538150383
Energy: 0.7190916309362108
Energy: 0.6285413391839111
Energy: 0.6616034359453702
Energy: 0.651436045762293
Energy: 0.5798967699341478
Energy: 0.7318862237717131
Energy: 0.6513194030558728
Energy: 0.6662683027792635
Energy: 0.6878435066408268
Energy: 0.6233705702306296
Energy: 0.741260254072435
Energy: 0.6796098605808816
Energy: 0.7452154560323514
Energy: 0.7003708533511821
Energy: 0.6654536100244755
Energy: 0.6947547635147783
Energy: 0.750352953174327
Energy: 0.7157706360525212
Energy: 0.6911611063293397
Energy: 0.5974707456250399
Energy: 0.6204331841133741
Energy: 0.6295350157983393
Energy: 0.7110632235997166
Energy: 0.6635324418842062
Energy: 0.6199966561774705
Energy: 0.6888765954922423
Energy: 0.6527487570566612
Energy: 0.6378634041064457
Energy: 0.6397464063022336
Energy: 0.6564679346769083
Energy: 0.6342204293396885
Energy: 0.6543377739278698
Energy: 0.678343866865565
Energy: 0.7084508551970494
Energy: 0.6648666629951492
Energy: 0.5905318003224292
Energy: 0.664217055293285
Energy: 0.6765068474904046
Energy: 0.6805848099848175
Energy: 0.669361980262685
Energy: 0.6470331410181805
Energy: 0.682315318405915
Energy: 0.6162702841330887
Energy: 0.6275755182839383
Energy: 0.6298997098623142
Energy: 0.6682790303592423
Energy: 0.625236608897606
Energy: 0.5829193805783642
Energy: 0.5833798681128562
Energy: 0.6385205342136134
Energy: 0.6480802643484667
Energy: 0.6232568901507299
Energy: 0.6694998701373512
Energy: 0.6774009168302634
Energy: 0.6759458460767608
Energy: 0.6077160867115718
Energy: 0.6408502369714892
Energy: 0.5912438117450544
Energy: 0.5978619639130575
Energy: 0.5941000716055773
Energy: 0.61166001789298
Energy: 0.6057242449672247
Energy: 0.6353346017285699
Energy: 0.601345271886309
Energy: 0.6117423647816772
Energy: 0.6365507119493182
Energy: 0.6394724887129437
Energy: 0.6246982521569829
Energy: 0.6398028991302731
Energy: 0.5864551691791965
Energy: 0.5934811030861847
Energy: 0.6779396663524436
Energy: 0.7010551269482493
Energy: 0.6985973111167527
Energy: 0.7072854266946408
Energy: 0.6425104130829391
Energy: 0.6103265129440453
Energy: 0.6058202713313201
Energy: 0.6285283708757149
Energy: 0.6272335292594774
Energy: 0.6117971089022515
Energy: 0.6383475612467783
Energy: 0.5957608408888136
Energy: 0.6790837176121729
Energy: 0.6172884141171084
Energy: 0.6670775087875758
Energy: 0.6274939096911727
Energy: 0.6043924236461236
Energy: 0.663674555438393
Energy: 0.6130683518638909
Energy: 0.6098351839830397
Energy: 0.6461401016203151
Energy: 0.6470856455648186
Energy: 0.5899785110206011
Energy: 0.6330893661718239
Energy: 0.6524409499983618
Energy: 0.6389962696504585
Energy: 0.5764451828642687
Energy: 0.6159322263615511
Energy: 0.6544322233393767
Energy: 0.6462936391667432
Energy: 0.6208997137342357
Energy: 0.6564362703384237
Energy: 0.6782445549296287
Energy: 0.6611078737898942
Energy: 0.6660108753124486
Energy: 0.6558001220797175
Energy: 0.6993950821245659
Energy: 0.7025807434290124
Energy: 0.6821984764528676
Energy: 0.6203119613732253
Energy: 0.6514275109315466
Energy: 0.6893989137005729
Energy: 0.6966210642532493
Energy: 0.6625411836854106
Energy: 0.6762746588036569
Energy: 0.6106746782705545
Energy: 0.6850945288907203
Energy: 0.715209775481812
Energy: 0.7535988022769885
Energy: 0.6893384632765864
Energy: 0.7005529739424288
Energy: 0.5915320479666092
Energy: 0.601054413182198
Energy: 0.7021695571542734
Energy: 0.6814026757418047
Energy: 0.6675146179344792
Energy: 0.7446667160174856
Energy: 0.62873184182657
Energy: 0.7325357588369013
Energy: 0.72210831108358
Energy: 0.6771804068169383
Energy: 0.699202652965895
Energy: 0.6069267195151381
Energy: 0.6220772604245715
Energy: 0.6597804601179638
Energy: 0.7483616618003698
Energy: 0.7166832567629832
Energy: 0.7019723816597206
Energy: 0.6985843306934835
Energy: 0.6796444335274063
Energy: 0.6993293816669034
Energy: 0.6997574263488678
Energy: 0.7460333008862723
Energy: 0.7175608528369005
Energy: 0.6950030040806181
Energy: 0.719429555949414
Energy: 0.6838171521332633
Energy: 0.7916300116755376
Energy: 0.7649570505775108
Energy: 0.7052798532692306
Energy: 0.6917555197760077
Energy: 0.6694648899683286

minimum gb energy = 0.5728660017658196 eV
minimum distance =  2.6088503305544 Angstroms
sigma value = 365


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

Energy: 0.6430072401003712
Energy: 0.6347609197491292
Energy: 0.632924467797171
Energy: 0.5749499286149726
Energy: 0.5741024024748244
Energy: 0.629652566653035
Energy: 0.6353809972456926
Energy: 0.6405191672748527
Energy: 0.691175478543384
Energy: 0.5744495181938317
Energy: 0.5756540250422761
Energy: 0.5752378362807329
Energy: 0.5749284502216206
Energy: 0.6910602350150327
Energy: 0.6191169725764888
Energy: 0.6896037470109636
Energy: 0.5754119816728618
Energy: 0.5747546933640852
Energy: 0.5753586452816827
Energy: 0.5751535497441819
Energy: 0.575354112318053
Energy: 0.6197635511737095
Energy: 0.6901291790231309
Energy: 0.5750210367870583
Energy: 0.5749090658736413
Energy: 0.5747198258751197
Energy: 0.5751320947988545
Energy: 0.5771862199454207
Energy: 0.639600391210499
Energy: 0.6914506049718729
Energy: 0.6183279919618965
Energy: 0.6901135009870388
Energy: 0.5748424489674719
Energy: 0.6171310198904214
Energy: 0.6907929883861347
Energy: 0.6245567244361041
Energy: 0.7630400740896004
Energy: 0.574563825952145
Energy: 0.5741715548022531
Energy: 0.5740992719017878
Energy: 0.5745367647285605
Energy: 0.6360054710659371
Energy: 0.6194793402443999
Energy: 0.6901871248135907
Energy: 0.5746419238497664
Energy: 0.5756827663583782
Energy: 0.5753478858248355
Energy: 0.5749070996221514
Energy: 0.6904377768326224
Energy: 0.619629328691109
Energy: 0.6901143874699732
Energy: 0.5753713440887743
Energy: 0.5750722440762128
Energy: 0.5755411482058151
Energy: 0.5752393403641792
Energy: 0.6904825327163475
Energy: 0.6216082186565478
Energy: 0.762405605950408
Energy: 0.574423495643908
Energy: 0.5744283892994426
Energy: 0.5744871652250146
Energy: 0.5746998257602037
Energy: 0.6369306064319464
Energy: 0.6393369609191581
Energy: 0.6913680607080738
Energy: 0.6182109105776732
Energy: 0.6904676346951395
Energy: 0.777590548964518
Energy: 0.6173519957908296
Energy: 0.69146750496813
Energy: 0.6207970415986577
Energy: 0.6908940774932469
Energy: 0.5749202930099346
Energy: 0.5743181100202452
Energy: 0.5748451130418378
Energy: 0.574647136705891
Energy: 0.6380560448742778
Energy: 0.619119818905161
Energy: 0.6902609073619612
Energy: 0.5753031907636232
Energy: 0.5753293995990308
Energy: 0.5749367880633761
Energy: 0.5755288948024094
Energy: 0.6903078937189614
Energy: 0.6200455416963538
Energy: 0.6900609836174376
Energy: 0.5746077260965239
Energy: 0.5754040729501823
Energy: 0.5756415514854275
Energy: 0.5749925749094076
Energy: 0.6908294541760017
Energy: 0.6226696439702688
Energy: 0.7637613085193308
Energy: 0.574974202823237
Energy: 0.5742069065563743
Energy: 0.5742102394823
Energy: 0.5745929188310135
Energy: 0.6355430669625025
Energy: 0.6398624579869012
Energy: 0.6914739052382058
Energy: 0.6181388609790003
Energy: 0.5746666889535449
Energy: 0.5750726591077401
Energy: 0.5743751122318799
Energy: 0.6905121291882169
Energy: 0.6196827568911256
Energy: 0.6895324229525667
Energy: 0.5753426500135357
Energy: 0.5748351052631762
Energy: 0.5750937962623981
Energy: 0.5749313457534754
Energy: 0.5753557744081318
Energy: 0.6193760242221993
Energy: 0.6897387690824343
Energy: 0.575041786056441
Energy: 0.575100413689181
Energy: 0.5748580293640422
Energy: 0.5754561087904448
Energy: 0.5754855673581849
Energy: 0.6400966670559289
Energy: 0.6912010040699298
Energy: 0.5739014789969503
Energy: 0.5752437043908553
Energy: 0.5752855891418645
Energy: 0.574569777939789
Energy: 0.690564476768449
Energy: 0.6343344497117192
Energy: 0.7628683106553648
Energy: 0.5762709396336975
Energy: 0.5738038783270208
Energy: 0.5751224761264502
Energy: 0.5763693283071066
Energy: 0.6353932980884685
Energy: 0.619765036773241
Energy: 0.6906413923579976
Energy: 0.5746697845935675
Energy: 0.5757688067298089
Energy: 0.5755070303596008
Energy: 0.5749543187546449
Energy: 0.6908801319401027

minimum gb energy = 0.5738038783270208 eV
minimum distance =  2.69103629189999 Angstroms
sigma value = 23