Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973
cohesive_energy=4.427798539389678
mass=58.6934
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=[2.0950862754501e-19, 2.94308632429362e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.5295135619814e-19, 4.898046231334079e-19, 5.216558946173279e-19, 5.49412002624744e-19, 5.73718624339158e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.44746318877646e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.776518225867379e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.020818119019699e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.074042426801179e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869845014797879e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475757628132899e-19, 6.272537543876339e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.58158065336993e-19, 1.9964562818610598e-20, -1.5491862440070838e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.563456831286122e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-18, -6.990376762973698e-18, -8.06833722409524e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0225496501540919 eV

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

Energy: 0.022057983884353396
Energy: 0.023069260440709578
Energy: 1.3697157529728565
Energy: 1.3697695965379224
Energy: 1.2324691999121866
Energy: 0.4535227063817852
Energy: 0.022576011557975954
Energy: 0.022972306847132317
Energy: 0.9763834375121727
Energy: 0.37984612894882075
Energy: 0.5627193979447467
Energy: 0.5696498210685367
Energy: 0.02354067156550828
Energy: 0.1393570453744672
Energy: 0.022548661688094718
Energy: 0.9799208936306262
Energy: 0.3547568185527218
Energy: 0.5629505706599961
Energy: 0.9800170981284484
Energy: 0.1367561833628089
Energy: 0.13892296513156668
Energy: 0.02558088734840915
Energy: 1.0733330809685915
Energy: 0.5623074242657335
Energy: 1.3708793676839959
Energy: 1.236692554432795
Energy: 0.13739577989109295
Energy: 0.023029966940749984
Energy: 1.3200044566730664
Energy: 1.2365581371011125
Energy: 0.3795160349382336
Energy: 0.5614909326543388
Energy: 0.5627191168098322
Energy: 0.023040264884528018
Energy: 0.13933605304576516
Energy: 0.02247428398644943
Energy: 0.9832499051479421
Energy: 0.35389415154663917
Energy: 0.5603029286252234
Energy: 0.9784708010548318
Energy: 0.13651225263123873
Energy: 0.1387955743757148

minimum gb energy = 0.022057983884353396 eV
minimum distance =  2.46568533930289 Angstroms
sigma value = 5


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

Energy: 1.5748220656181344
Energy: 1.4719880274127257
Energy: 1.5943766057242428
Energy: 1.5526605578698618
Energy: 1.672902746483639
Energy: 1.5077052886075621
Energy: 1.6935805881034376
Energy: 1.4383968662974558
Energy: 1.5263245543727262
Energy: 1.4131373563542395
Energy: 1.6802870471804168
Energy: 1.5033077625346227
Energy: 1.4741885602892066
Energy: 1.5811886556212515
Energy: 1.576574347770544
Energy: 1.5710089428264347
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Energy: 1.6156956039482944
Energy: 1.6784160665924353
Energy: 1.5828353663143653
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Energy: 1.6417346440113403
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Energy: 1.6331640806704346
Energy: 1.586374489316653
Energy: 1.5452289239189805
Energy: 1.6644398657723654
Energy: 1.651157550907105
Energy: 1.453800458394332
Energy: 1.5165596826954078
Energy: 1.460205999384105
Energy: 1.5235214325654318
Energy: 1.6601392411691274
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Energy: 1.5857144382847899
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Energy: 1.697069700214894
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Energy: 1.6290208383435407
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Energy: 1.539210171662731
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Energy: 1.540129423838045
Energy: 1.6022178880973696
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Energy: 1.4927020991862296
Energy: 1.5153892543131775
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Energy: 1.6099879793035856
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Energy: 1.551914870079894
Energy: 1.542406871834998
Energy: 1.5160265649888525
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Energy: 1.655678778552565
Energy: 1.481916161240217
Energy: 1.5623912084786318
Energy: 1.5133472346348606
Energy: 1.5466116490965671
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Energy: 1.639811550031269
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Energy: 1.461200934754804
Energy: 1.5060823666308993
Energy: 1.494248144837559
Energy: 1.4856042603007114
Energy: 1.4889610968613924
Energy: 1.5223165787406414
Energy: 1.5110067028986416
Energy: 1.592803996897415
Energy: 1.47221318222647
Energy: 1.5676924521513929
Energy: 1.551161806610864
Energy: 1.584503573004427
Energy: 1.5693130168862082
Energy: 1.5753005780298572
Energy: 1.453545900097482
Energy: 1.6493386729750377
Energy: 1.5493856098062604
Energy: 1.49330550389165
Energy: 1.524421862456315
Energy: 1.5241372583957957
Energy: 1.6689676452247488
Energy: 1.5200191798889613
Energy: 1.572322755492055
Energy: 1.550321691751194
Energy: 1.7292004409377055
Energy: 1.6193834923635027
Energy: 1.5762617670551116
Energy: 1.6149722801891748
Energy: 1.4570377560124943
Energy: 1.6523885486643883
Energy: 1.4533587321379324
Energy: 1.5918302758152336
Energy: 1.5766880173853652
Energy: 1.4611788353938489
Energy: 1.614507446702092
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Energy: 2.1933699684623678
Energy: 1.6174782549340305
Energy: 1.5391204145260742
Energy: 1.6240417677053622
Energy: 1.525776164572934
Energy: 1.4964295209841316

minimum gb energy = 1.4041207621046985 eV
minimum distance =  2.17413378078574 Angstroms
sigma value = 401


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

Energy: 1.567085183728101
Energy: 2.0648465007447383
Energy: 1.5275894240326189
Energy: 1.5337228540467998
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Energy: 1.4813909750868577
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Energy: 1.665323204922765
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Energy: 1.4427519358555287
Energy: 1.6201020754478748
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Energy: 1.513631145999662
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Energy: 1.5261272007109103
Energy: 1.6152501618974555
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Energy: 1.6044079988719957
Energy: 1.6862970984211365
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Energy: 1.4307584166724001
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Energy: 1.5474583969375377
Energy: 1.5245868216033418
Energy: 1.4370906389197258
Energy: 1.4110808406546405
Energy: 1.4309911923550909
Energy: 1.4772156877787925
Energy: 1.5452356823467714
Energy: 1.7110661228343538
Energy: 1.5057154775852801
Energy: 1.5899719856984202
Energy: 1.475859789651908
Energy: 1.5142562734246123
Energy: 1.611382606221425
Energy: 1.6458876803568807
Energy: 1.4889619396646412
Energy: 1.6450016635678524
Energy: 1.6596260363313244
Energy: 1.4431515169754103
Energy: 1.4918943394275654
Energy: 1.6038702437342132
Energy: 1.654987291050339
Energy: 1.4969999271153187
Energy: 1.5453113949611286
Energy: 1.4818652353334594
Energy: 1.6134422628959217
Energy: 1.635792501554767
Energy: 1.443836439126264
Energy: 1.515061151189779
Energy: 1.4753307728877652
Energy: 1.5000539811292646
Energy: 1.4674082946965965
Energy: 1.5317184322657251
Energy: 1.4884224372680743
Energy: 1.4123772702149338
Energy: 1.4710294321538773
Energy: 1.4744772840973241
Energy: 1.4786476599675564
Energy: 1.4957409229763932
Energy: 1.5470766311711908
Energy: 1.5969407933425073
Energy: 1.4175290291722515
Energy: 1.511126036653408
Energy: 1.4961062566550192
Energy: 1.5903033639661959
Energy: 1.4798492680470945
Energy: 1.5126973734272056
Energy: 1.5597287111776645
Energy: 1.5142328736823047
Energy: 1.62338917934625
Energy: 1.6913077802636345
Energy: 1.584269292694768
Energy: 1.5608095336417491
Energy: 1.4707624843314557
Energy: 1.586610002687446
Energy: 1.663111816825221
Energy: 1.5884349650510052
Energy: 1.5265548784301486
Energy: 1.5302296411828804
Energy: 1.4946832247469624
Energy: 1.506781177710229
Energy: 1.4346125148201727
Energy: 1.5015462858454849
Energy: 1.6090812220389565
Energy: 1.6446469844508602
Energy: 1.5324100952055617
Energy: 1.5709615130386838
Energy: 1.468215512905721
Energy: 1.4544784113210771
Energy: 1.722492883091111
Energy: 1.6018963990556396
Energy: 1.5171252406061075
Energy: 1.5278935664763462
Energy: 1.4404217059063515
Energy: 1.439216896146276
Energy: 1.4328561236618658
Energy: 1.47930784400018
Energy: 1.6618801000833467
Energy: 1.5356928275868562
Energy: 1.4601555537750934
Energy: 1.5535748127799698
Energy: 1.455366109117157
Energy: 1.5107927890296229
Energy: 1.6148564341520144
Energy: 1.595065686159447
Energy: 1.493191212719964
Energy: 1.5347622021876535
Energy: 1.4812315669420082
Energy: 1.5358825464287444
Energy: 1.5641382974728466
Energy: 1.5623954289553335
Energy: 1.6671746134326806
Energy: 1.4658433942488147
Energy: 1.5432244680110931
Energy: 1.4764298758141798
Energy: 1.6131156457303828
Energy: 1.6349680068405112
Energy: 1.6212902608117794
Energy: 1.5332460716455856
Energy: 1.480877846990398
Energy: 1.4303144579912168
Energy: 1.4499156542594434
Energy: 1.493513287387593
Energy: 1.4626791134168549
Energy: 1.4762550282481066
Energy: 1.5428348870818034

minimum gb energy = 1.4015714853984425 eV
minimum distance =  2.15494155926146 Angstroms
sigma value = 311


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

Energy: 1.5263762335331328
Energy: 1.5416472064117284
Energy: 1.55683004418562
Energy: 1.518333444649259
Energy: 1.6669269859561267
Energy: 1.574006993553063
Energy: 1.5234599839901577
Energy: 1.5035431211309518
Energy: 1.6127390398814836
Energy: 1.4964387090859663
Energy: 1.5600384847015751
Energy: 1.5978431205083847
Energy: 1.4959074206029335
Energy: 1.6022365693768201
Energy: 1.500845988690281
Energy: 1.4332310823228365
Energy: 1.4956695832274087
Energy: 1.5431302690272106
Energy: 1.6154746650380207
Energy: 1.5246327045375252
Energy: 1.5843017992783452
Energy: 1.5175392982497355
Energy: 1.619186114941268
Energy: 1.4781368078438795
Energy: 1.5793035663581256
Energy: 1.5007580537219785
Energy: 1.5281378212388392
Energy: 1.536979985267569
Energy: 1.5595265627051216
Energy: 1.489440439963501
Energy: 1.4993655308772398
Energy: 1.4747247455118626
Energy: 1.5287999843175684
Energy: 1.547847550557085
Energy: 1.4978387465888294
Energy: 1.54107378561719
Energy: 1.4795873711402991
Energy: 1.4683981566400186
Energy: 1.5329663243590592
Energy: 1.530016638108179
Energy: 1.5040957027963908
Energy: 1.5709113856013917
Energy: 1.5464197159809683
Energy: 1.5367931439295939
Energy: 1.5267447586037222
Energy: 1.543242285134511
Energy: 1.5435805543117387
Energy: 1.554832550837834
Energy: 1.6024813078828533
Energy: 1.4999842073699021
Energy: 1.56277124802486
Energy: 1.5162708144106545
Energy: 1.5270335386325746
Energy: 1.591515738717631
Energy: 1.5699689151014091
Energy: 1.609515727460606
Energy: 1.5738363737444325
Energy: 1.580556172434158
Energy: 1.4919013610737324
Energy: 1.6364768135615517
Energy: 1.5225728811589008
Energy: 1.4533045300366332
Energy: 1.5167573010493645
Energy: 1.5022776674525693
Energy: 1.589762061178891
Energy: 1.5331950212739718
Energy: 1.5385212253407248
Energy: 1.4808115054354436
Energy: 1.4597297649701382
Energy: 1.5260272849347691
Energy: 1.5049913818403513
Energy: 1.480892949767812
Energy: 1.557557085895646
Energy: 1.701726208544757
Energy: 1.5617131626442506
Energy: 1.669545299978968
Energy: 1.5098697417392521
Energy: 1.4913044947237384
Energy: 1.4440708659157313
Energy: 1.4721141168211491
Energy: 1.5000018878528223
Energy: 1.4849531053497853
Energy: 1.4703919635347433
Energy: 1.5760293990515302
Energy: 1.5735814844057163
Energy: 2.102797850762974
Energy: 1.5469793104581238
Energy: 1.5664004957916227
Energy: 1.5568843746109542
Energy: 1.551867728786874
Energy: 1.594411387355262
Energy: 1.5792956830961917
Energy: 1.567030426371301
Energy: 1.5497270452156355
Energy: 1.5799376184186595
Energy: 1.5799630956921151
Energy: 1.566893993603833
Energy: 1.7313693140530986
Energy: 1.5106320661407957
Energy: 1.5808500648095327
Energy: 1.5963434460677763
Energy: 1.5700263985715748
Energy: 1.5311210902564922
Energy: 1.5433477577813477
Energy: 1.4836130507384386
Energy: 1.4789380801345975
Energy: 1.560957726800504
Energy: 1.4974780073776628
Energy: 1.5793637444436417
Energy: 1.4980053866834062
Energy: 1.5550264557358875
Energy: 1.5597276317126514
Energy: 1.5091005519419993
Energy: 1.5123267073342181
Energy: 1.5558220508257377
Energy: 1.6082532866604133
Energy: 1.5295528060325339
Energy: 1.651481511494986
Energy: 1.520515730977465
Energy: 1.4669538440159644
Energy: 1.5617743088881348
Energy: 1.545773697817811
Energy: 1.4582939994470434
Energy: 1.4760353760116465
Energy: 1.466182097459695
Energy: 1.5027205454405534
Energy: 1.5232105017537896
Energy: 2.062539607259764
Energy: 1.5404344566931716
Energy: 1.5344310938397168
Energy: 1.57304752776219
Energy: 1.5051814429458246
Energy: 1.4671851706869607
Energy: 1.5369446758164003
Energy: 1.598106714881907
Energy: 1.5735505768229647
Energy: 1.5056784688381448
Energy: 1.621013787172778
Energy: 1.5474140876869986
Energy: 1.6427643424721508
Energy: 1.5434379929986461
Energy: 1.5612514953572212
Energy: 1.5017972684011682
Energy: 1.5562722351311422
Energy: 1.5715269392523288
Energy: 1.5638594453017156
Energy: 1.555572511942247
Energy: 1.5096493402373994
Energy: 1.5272714323985939
Energy: 1.5141857536497207
Energy: 1.4466187158597519
Energy: 1.4832890283826325
Energy: 1.4768010533907274
Energy: 1.5374060972468282
Energy: 1.4996723927864672
Energy: 1.5333148636309764
Energy: 1.5156326241067402
Energy: 1.6804072970834805
Energy: 1.5477706033529361
Energy: 1.4923324170441985
Energy: 1.5715216468971591
Energy: 1.5885955305584398
Energy: 1.4896468448324625
Energy: 1.4751494378776344
Energy: 1.4889980000599017
Energy: 1.5067498620899218
Energy: 1.455134279499188
Energy: 1.5803414538085176
Energy: 1.590218832082877
Energy: 1.5139583501772365
Energy: 1.5801948809104895
Energy: 1.5866780229473656
Energy: 1.5237901721708464
Energy: 1.5360599610787447
Energy: 1.5732063189196377
Energy: 1.5382975240424377
Energy: 1.6532494440225087
Energy: 1.5865029975766545
Energy: 1.5609669246161193
Energy: 1.6201476386050087
Energy: 1.5192756320607783
Energy: 1.614927375177938
Energy: 1.477564425708109
Energy: 1.5546762471443032
Energy: 1.4939631735535681
Energy: 1.5610338677860467
Energy: 1.5614032706078445
Energy: 1.4800365051228794
Energy: 1.4616898146840247
Energy: 1.4949312352360293
Energy: 1.462889451119362
Energy: 1.4980146148910622
Energy: 1.5218991928671233
Energy: 1.530774996141033
Energy: 1.4585487808092097
Energy: 1.4660925252002524
Energy: 1.5145426010574419
Energy: 1.5724040015279972
Energy: 1.5544196824803718
Energy: 1.6843572370351025
Energy: 1.560993170981608
Energy: 1.629526595152118
Energy: 1.5164572774998086
Energy: 1.5506073325724612
Energy: 1.5235907744018533
Energy: 1.499500038557151
Energy: 1.4762304509688466
Energy: 1.5127532003294708
Energy: 1.56607875145725
Energy: 1.5188858669218448
Energy: 1.5417377416326243
Energy: 1.5507286497314534
Energy: 1.487877544246256
Energy: 1.6003052639958402
Energy: 1.5665061217800973
Energy: 1.4513907822637817
Energy: 1.5152410846018265
Energy: 1.5448075322662693
Energy: 1.6387671896476226
Energy: 1.4762479806080266
Energy: 1.6124738236699507
Energy: 1.6351957041055232
Energy: 1.5601907816389415
Energy: 1.6148545068338573
Energy: 1.4920905815200511
Energy: 1.4807514899164986
Energy: 1.4870561582431487
Energy: 1.5806568538477848
Energy: 1.5368351889142864
Energy: 1.5117726739613009
Energy: 1.6068797206280365
Energy: 1.468676049606224
Energy: 1.4231062498686196
Energy: 1.4984538190854182
Energy: 1.5852864884192328
Energy: 1.4871967637504377
Energy: 1.5401425767423533
Energy: 1.5173206045012901
Energy: 1.539294558900827
Energy: 1.5114501066008597
Energy: 1.512570976580333
Energy: 1.5610205539875572
Energy: 1.522491849098438
Energy: 1.6314690808132613
Energy: 1.5774114527026462
Energy: 1.5160124588578163
Energy: 2.026969249564698
Energy: 1.5678001141730333
Energy: 1.480649050472575
Energy: 1.5151821724238599
Energy: 1.4928035234078911
Energy: 1.473812071279725

minimum gb energy = 1.4231062498686196 eV
minimum distance =  2.1745229772728 Angstroms
sigma value = 39


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

Energy: 1.403670773878618
Energy: 1.3894697472445614
Energy: 1.8227394834794912
Energy: 1.644645792870758
Energy: 1.4781934252912559
Energy: 1.5420288912135292
Energy: 1.3887555520591581
Energy: 1.387380556620896
Energy: 1.508140727159181
Energy: 1.5295320463602762
Energy: 1.5192494343148242
Energy: 1.4947822011606158
Energy: 1.451070298117975
Energy: 1.6357907072588347
Energy: 1.450645313285239
Energy: 1.3956166759267135
Energy: 1.5252439613437654
Energy: 1.5349820952961717
Energy: 1.5021214492804849
Energy: 1.4520048476898457
Energy: 1.4519756288569672
Energy: 1.4718578598558876
Energy: 1.453442632536638
Energy: 1.5533073232584647
Energy: 1.518873199746507
Energy: 1.5197639217088954
Energy: 1.5293225730250022
Energy: 1.6362920687113056
Energy: 1.5052240026597457
Energy: 1.4956059040436802
Energy: 1.5343360569728415
Energy: 1.4198769844750199
Energy: 1.4500916300827797
Energy: 1.5414011868634938
Energy: 1.4512876834592106
Energy: 1.387740444576017
Energy: 1.4965394072175333
Energy: 1.4175756965310424
Energy: 1.3661683749909168
Energy: 1.5100918962954473
Energy: 1.4693778691669743
Energy: 1.4502771298350825
Energy: 1.454545897972335
Energy: 1.4578458703789012
Energy: 1.4210510814818873
Energy: 1.555901264290109
Energy: 1.3891172040290787
Energy: 1.3898122355228544
Energy: 1.4877057538780993
Energy: 1.3870065380521415
Energy: 1.5065837622249267
Energy: 1.7356909597350103
Energy: 1.382217062011172
Energy: 1.5648463175893148
Energy: 1.5569081382926153
Energy: 1.450941025765277
Energy: 1.3872633663756606
Energy: 1.5076103897673367
Energy: 1.7448253973028007
Energy: 1.4517071480187016
Energy: 1.5148686156161482
Energy: 1.5321643750238418
Energy: 1.4508828529385225
Energy: 1.4568431864047822
Energy: 1.381999042376052
Energy: 1.5284262048675774
Energy: 1.5202190338406454
Energy: 1.4986852490249358
Energy: 1.4521153774288074
Energy: 1.4504810348506216
Energy: 1.4697189451734696
Energy: 1.487392173261118
Energy: 1.5495395029930308
Energy: 1.3969926975743836
Energy: 1.5067307164118207
Energy: 1.4868900787669421
Energy: 1.5225090185700387
Energy: 1.5039061171378936
Energy: 1.5152074444259964
Energy: 1.5187520319013037
Energy: 1.4537619584342343
Energy: 1.5672005074336024
Energy: 1.52800579182581
Energy: 1.5635062544509226
Energy: 1.3904051781923894
Energy: 1.4951552394889545
Energy: 1.5630990851085917
Energy: 1.5291106840261568
Energy: 1.5205028253141986
Energy: 1.5610638355773172
Energy: 1.4519871390022887
Energy: 1.4524536842142255
Energy: 1.396143702536231
Energy: 1.4532602504445966
Energy: 1.5384655073296152
Energy: 1.3897530667997517
Energy: 1.388208142251377
Energy: 1.4894115109098325
Energy: 1.3870059671469646
Energy: 1.458789857480093
Energy: 1.4177467601816955
Energy: 1.764614023221922
Energy: 1.3892628427245577
Energy: 1.388065365703101
Energy: 1.4489395339468856
Energy: 1.403711979255096
Energy: 2.140435001836543
Energy: 1.4850450850485581
Energy: 1.4186400190504593
Energy: 1.4785677738349916
Energy: 1.5412023786129905
Energy: 1.3893307540863742
Energy: 1.452105897001215
Energy: 1.5065852494031995
Energy: 1.5294300735020503
Energy: 1.5191893540837644
Energy: 1.4948528349938404
Energy: 1.4540359686057014
Energy: 1.5967088079117142
Energy: 1.4511675371974178
Energy: 1.3953819141529642
Energy: 1.5206856736376486
Energy: 1.5340285389235788
Energy: 1.515686491545249
Energy: 1.454497221961648
Energy: 1.5364432548375737
Energy: 1.471675412704085
Energy: 1.4517204942344715
Energy: 1.5541998346737405
Energy: 1.5164320423907904
Energy: 1.519688571837304
Energy: 1.52941570377894
Energy: 1.6364310285455506
Energy: 1.5037305084313601
Energy: 1.4954785048884098
Energy: 1.5352817630107616
Energy: 1.4193958413033692
Energy: 1.5336836952543802
Energy: 1.5386992647071633
Energy: 1.4513332723341072
Energy: 1.3878894901888124
Energy: 1.49609504580695
Energy: 1.417698867263116
Energy: 1.3992645984070589
Energy: 1.509189415799862
Energy: 1.38828925932862
Energy: 1.4502016381652387
Energy: 1.4550103476759624
Energy: 1.4578524184981743
Energy: 1.4210469719387737
Energy: 1.5296547515987469
Energy: 1.389159584937904
Energy: 1.390150106012787
Energy: 1.4886638317034948
Energy: 1.3869385310730646
Energy: 1.506239439006508
Energy: 1.7361583193799526
Energy: 1.3827462956823784
Energy: 1.5637338440059665
Energy: 1.5572968912207814
Energy: 1.4508482097629185
Energy: 1.3873904624725983
Energy: 1.5078546903322483
Energy: 1.4188887188260673
Energy: 1.451662680735063
Energy: 1.5078715633659976
Energy: 1.5334824323004204
Energy: 1.450303163511223
Energy: 1.4568838206356376
Energy: 1.381588087529115
Energy: 1.5284749074800645
Energy: 1.5213424146291226
Energy: 1.497917144359608
Energy: 1.4531680890358816
Energy: 1.450985694920717
Energy: 1.4696166178163685
Energy: 1.4876644930317042
Energy: 1.5495569394122604
Energy: 1.396929710213819
Energy: 1.506827073946268
Energy: 1.5294098015704451
Energy: 1.5218135633845429
Energy: 1.5025638526932252
Energy: 1.51548958199314
Energy: 1.5188981399238186
Energy: 1.488816304990394
Energy: 1.5670943275897915
Energy: 1.528098366874064
Energy: 1.485954401695332
Energy: 1.3902050041392071
Energy: 1.4951485731041414
Energy: 1.5624658111792475
Energy: 1.528919979409649
Energy: 1.5205511353716215
Energy: 1.5612436309929505
Energy: 1.4510443936409032
Energy: 1.4566341324279843
Energy: 1.3958539265748204
Energy: 1.4516658081378295
Energy: 1.5382982747224796
Energy: 1.389898971378721
Energy: 1.3883995978096073
Energy: 1.488668939646543
Energy: 1.3868709301515865
Energy: 1.4584069315557942
Energy: 1.4178464827393
Energy: 1.6335571699463012
Energy: 1.3893055427476035
Energy: 1.3881770593449942
Energy: 1.4504991129980511

minimum gb energy = 1.3661683749909168 eV
minimum distance =  2.20137736238466 Angstroms
sigma value = 21


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

Energy: 1.6776642268423398
Energy: 1.675369687910916
Energy: 1.7876300950810124
Energy: 1.8203355460690194
Energy: 1.514062285378959
Energy: 1.5857188668289313
Energy: 1.673721363279324
Energy: 1.450892006877416
Energy: 1.4865276047686893
Energy: 1.5974242160877936
Energy: 1.5982141746916663
Energy: 1.6199797987349964
Energy: 1.5572359703423782
Energy: 1.676643312358917
Energy: 1.5138697006159743
Energy: 1.5683708265494083
Energy: 1.4668634055716128
Energy: 1.613887410520376
Energy: 1.7058157052149652
Energy: 1.564539943610223
Energy: 1.5499434724585284
Energy: 1.6992118429592915
Energy: 1.6108819923526334
Energy: 1.4702676233736758
Energy: 1.4334039507260081
Energy: 1.4983280019424634
Energy: 1.4158442940612124
Energy: 1.5535458431050448
Energy: 1.4108169666894466
Energy: 1.48838152898084
Energy: 1.4467042064686864
Energy: 1.4734432723206043
Energy: 1.4394761483775314
Energy: 1.4252759013272605
Energy: 1.3814580434358412
Energy: 1.3887286798939766
Energy: 1.4874255185753762
Energy: 1.5135480473399805
Energy: 1.5753000704399556
Energy: 1.4313479571549819
Energy: 1.3903635704295643
Energy: 1.3742591563751148
Energy: 1.5653352735449837
Energy: 1.4183457723470652
Energy: 1.4357772215868596
Energy: 1.4998472837196595
Energy: 1.3875758851315874
Energy: 1.3877655346557047
Energy: 1.4235979255947155
Energy: 1.5121350980895463
Energy: 1.3711172168629842
Energy: 1.4621312596571936
Energy: 1.5909986455846286
Energy: 1.4175073309973243
Energy: 1.410211588162168
Energy: 1.3826430406080525
Energy: 1.4345262608555296
Energy: 1.5168166072990175
Energy: 1.6100740647562743
Energy: 1.5350109954285456
Energy: 1.618859495208579
Energy: 1.5534284729647097
Energy: 1.5236901494321629
Energy: 1.708180498596222
Energy: 1.710122089637428
Energy: 1.5824433147188244
Energy: 1.5872151368874037
Energy: 1.4183663634490182
Energy: 1.5064277517509814
Energy: 1.6982917436600586
Energy: 1.4184444658809572
Energy: 1.5413678484393452
Energy: 1.457061998130041
Energy: 1.4926078288594766
Energy: 1.4449290271287631
Energy: 1.5286224168696922
Energy: 1.6769829412992094
Energy: 1.4347263277902609
Energy: 1.515038501545942
Energy: 1.59127796428085
Energy: 1.6431699294782243
Energy: 1.6683721993265774
Energy: 1.6738631187869153
Energy: 1.6927982253933673
Energy: 1.668376920113891
Energy: 1.5754514548789835
Energy: 1.7868773954292183
Energy: 1.591525678634629
Energy: 1.4581831206918652
Energy: 1.525917975308913
Energy: 1.6688521768320448
Energy: 1.6669660847041208
Energy: 1.5166404978799097
Energy: 1.464070901489787
Energy: 1.447068382924989
Energy: 1.5817155761251118
Energy: 1.4353039438426618
Energy: 1.7284236964950812
Energy: 1.5117421421740866
Energy: 1.5926700811776304
Energy: 1.579291003881393
Energy: 1.6122107964854688
Energy: 1.7271172754610238
Energy: 1.6999784876825133
Energy: 1.6367134566138906
Energy: 1.7009659447711305
Energy: 1.6111209088012617
Energy: 1.4360687555611766
Energy: 1.4552601040282938
Energy: 1.4977365418143698
Energy: 1.4629195651631925
Energy: 1.5698045903554882
Energy: 1.4113123218013655
Energy: 1.5242635284446002
Energy: 1.552823264702882
Energy: 1.461332796318391
Energy: 1.3701215826317519
Energy: 1.5451254461621913
Energy: 1.381377801949097
Energy: 1.388188800120988
Energy: 1.4854487250217387
Energy: 1.5146517968088347
Energy: 1.4085918296521853
Energy: 1.4321435377256049
Energy: 1.4136815264143459
Energy: 1.5601951052338145
Energy: 1.3837929474637272
Energy: 1.3718665936733554
Energy: 1.5641591828260155
Energy: 1.5276820470595034
Energy: 1.3890822558428293
Energy: 1.388473353520493
Energy: 1.3787134969844146
Energy: 1.4300344877788054
Energy: 1.3700692243029293
Energy: 1.48062034177498
Energy: 1.5158816283133598
Energy: 1.4814901169580352
Energy: 1.4102980751866503
Energy: 1.5326328743152118
Energy: 1.435179069465329
Energy: 1.5163626306636562
Energy: 1.6113190833961384
Energy: 1.453847057876711
Energy: 1.57284054050761
Energy: 1.5813806745131456
Energy: 1.4983924034406992
Energy: 1.4095704446669015
Energy: 1.5627915333278413
Energy: 1.582311974148848
Energy: 1.4640684838067888
Energy: 1.5638650432947223
Energy: 1.5449447727073078
Energy: 1.3911572640974768
Energy: 1.698045314040828
Energy: 1.6102632140962612
Energy: 1.4974525689034293
Energy: 1.5995427777261333
Energy: 1.4567108433303007
Energy: 1.601744919022468
Energy: 1.5162728594627735
Energy: 1.512753508896375
Energy: 1.6585337308448733
Energy: 1.5093305902225909
Energy: 1.9226583938379325
Energy: 1.6706128760233534
Energy: 1.6727998651016933
Energy: 1.638553164283294
Energy: 1.6670746518763588
Energy: 1.5112132433402137
Energy: 1.688443835985387
Energy: 1.56110331386357
Energy: 1.457049525890546
Energy: 1.5873997601626815
Energy: 1.766498726719538

minimum gb energy = 1.3700692243029293 eV
minimum distance =  2.11566321130924 Angstroms
sigma value = 113


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

Energy: 1.6338908388059243
Energy: 1.8287079080979665
Energy: 1.7612808526432213
Energy: 1.644603677893098
Energy: 1.7081252963081959
Energy: 1.7189226486682827
Energy: 1.8253851796296232
Energy: 1.7720862215155235
Energy: 1.6544614167334777
Energy: 1.7374000254921669
Energy: 1.8374332136603484
Energy: 1.7161797453105831
Energy: 1.7623101522777498
Energy: 1.782295074192925
Energy: 1.7034946498399852
Energy: 1.677075026296522
Energy: 1.5735322096415754
Energy: 1.7512724060446292
Energy: 1.7554442246751774
Energy: 1.6622567556252978
Energy: 1.6925112180481252
Energy: 1.6533634260488883
Energy: 1.7872758168535483
Energy: 1.631086142831152
Energy: 1.5566066205767906
Energy: 1.6644672675952872
Energy: 1.6240829216051302
Energy: 1.6516012471734034
Energy: 1.6326475796489877
Energy: 1.7103603203811282
Energy: 1.6694447550038014
Energy: 1.6428286279175859
Energy: 1.6076990552794987
Energy: 1.6684318510172904
Energy: 1.6529735270641563
Energy: 1.4740432263027134
Energy: 1.5413268411380379
Energy: 1.6664533726166537
Energy: 1.639923234200354
Energy: 1.5104480124698298
Energy: 1.5638056759857397
Energy: 1.5914516153667118
Energy: 1.5930173543512849
Energy: 1.562025409567429
Energy: 1.5037615558327075
Energy: 1.6209264783137416
Energy: 1.6092010975498225
Energy: 1.548869640786288
Energy: 1.5537974924958775
Energy: 1.5107636410265701
Energy: 1.3794455851547545
Energy: 1.5462287107122612
Energy: 1.6658684456498754
Energy: 1.6639809790524416
Energy: 1.5533966436984672
Energy: 1.4799656032342259
Energy: 1.4501843549744957
Energy: 1.4567455748501887
Energy: 1.5597345113024441
Energy: 1.5083578502239232
Energy: 1.6004115731632462
Energy: 1.5747525692329425
Energy: 1.513638147404785
Energy: 1.618697917391692
Energy: 1.6683499673987965
Energy: 1.620421894219832
Energy: 1.4217791788974994
Energy: 1.4238352265550296
Energy: 1.4665378201650079
Energy: 1.5711850775741203
Energy: 1.6124163203539066
Energy: 1.5221778949931088
Energy: 1.6399565172252484
Energy: 1.4450240537356325
Energy: 1.5077142899324414
Energy: 1.631255818424285
Energy: 1.4973232724215275
Energy: 1.4871938371635134
Energy: 1.349593995892745
Energy: 1.6904202969736066
Energy: 1.6249724422424534
Energy: 1.6199403568040398
Energy: 1.6173505116265674
Energy: 1.4286077452288237
Energy: 1.6029549973017556
Energy: 1.3762246809672978
Energy: 1.480019687202247
Energy: 1.5554565017210906
Energy: 1.6386719097462794
Energy: 1.626431674187639
Energy: 1.4644586973216083
Energy: 1.6545071911332232
Energy: 1.5810596644476267
Energy: 1.5247210642986522
Energy: 1.572668885651349
Energy: 1.5653863797201564
Energy: 1.5071233572738236
Energy: 1.5436301050487677
Energy: 1.4967631203427032
Energy: 1.6011860940267133
Energy: 1.6463247721264886
Energy: 1.4744752076755303
Energy: 1.5608915524591354
Energy: 1.5079516464787628
Energy: 1.5828819686355662
Energy: 1.6325422854662544
Energy: 1.5586141442281138
Energy: 1.7163537347583466
Energy: 1.623712382465846
Energy: 1.593681389314528
Energy: 1.6424896568628953
Energy: 1.594343967821512
Energy: 1.6324932663126035
Energy: 1.6058296138625732
Energy: 1.5633501558706713
Energy: 1.6796025891808963
Energy: 1.6134372241964163
Energy: 1.6098212088275037
Energy: 1.5993005877934008
Energy: 1.546961275099141
Energy: 1.5652451297760526
Energy: 1.5694965636661333
Energy: 1.6582863464892812
Energy: 1.6619571254306658
Energy: 1.6549595187072987
Energy: 1.691388025730316
Energy: 1.7029915984037987
Energy: 1.691412487310735
Energy: 1.6820281435495426
Energy: 1.7389263016874785
Energy: 1.80000822159514
Energy: 1.7834937073041417
Energy: 1.644838144173741
Energy: 1.652274430815588
Energy: 1.6405294474712364
Energy: 1.658299983843572
Energy: 1.7786704510041487
Energy: 1.6549941326864277
Energy: 1.6887542864584368
Energy: 1.7669910597749203
Energy: 1.697875477994424
Energy: 1.7425370500220962
Energy: 1.489999257755358
Energy: 1.7870932229795464
Energy: 1.6676872288890168
Energy: 1.645720029786337
Energy: 1.7799534907403827
Energy: 1.7032239634570738
Energy: 1.7041109191079684
Energy: 1.6007218240138854
Energy: 1.7677218073795151
Energy: 1.671681727363836
Energy: 1.6396342171598512
Energy: 1.7809453065128233
Energy: 1.6339743933099717
Energy: 2.5086101782365433
Energy: 1.762441832028583
Energy: 1.641405067551854
Energy: 1.7115617836442716
Energy: 1.6868905061829986
Energy: 1.725187526398987
Energy: 1.7787373464195553
Energy: 1.6692272309367455
Energy: 1.736029386252496
Energy: 1.7072012764398978
Energy: 1.7742302975554285
Energy: 1.7778881584957702
Energy: 1.7291891646667474
Energy: 1.5519358456587649
Energy: 1.7078307589522612
Energy: 1.667566122759348
Energy: 1.6844281682927842
Energy: 1.6697041618062596
Energy: 1.6637371071430622
Energy: 1.7361822651406311
Energy: 1.6544299037217738
Energy: 1.7810968724482192
Energy: 1.630276200230436
Energy: 1.6525492468231449
Energy: 1.6816203957900444
Energy: 1.6240907605680797
Energy: 1.6503898884986585
Energy: 1.6624970442479057
Energy: 1.7108174466618753
Energy: 1.671568482047754
Energy: 1.6413136634480932
Energy: 1.7037371500361438
Energy: 1.6668086549172532
Energy: 1.655248071178218
Energy: 1.4736063464921059
Energy: 1.6530959626313324
Energy: 1.6701060008647481
Energy: 1.637476995950585
Energy: 1.5094425015377257
Energy: 1.5648661944168964
Energy: 1.6408534051645152
Energy: 1.5924362789128943
Energy: 1.5600431002541697
Energy: 1.5043094858806951
Energy: 1.660423425626569
Energy: 1.6093671877939435
Energy: 1.5496388824573586
Energy: 1.5521175809127297
Energy: 1.5844595334513585
Energy: 1.3786327450825981
Energy: 1.54493164715363
Energy: 1.6476230996470629
Energy: 1.6110117976682952
Energy: 1.5366788668344342
Energy: 1.4822697149896065
Energy: 1.4505994371509887
Energy: 1.4560925046006588
Energy: 1.654293987256039
Energy: 1.5087331646686426
Energy: 1.579885009343
Energy: 1.6639817517886206
Energy: 1.6771401966741686
Energy: 1.6780388296843176
Energy: 1.6705480474073844
Energy: 1.6266230033295845
Energy: 1.4231721849851076
Energy: 1.3783016312193113
Energy: 1.6457411010317224
Energy: 1.5119379968473516
Energy: 1.6114612963929371
Energy: 1.522518204647267
Energy: 1.635864810830566
Energy: 1.4439630758988844
Energy: 1.452646748158351
Energy: 1.6141249389184726
Energy: 1.4945899215587268
Energy: 1.4613856579049622
Energy: 1.3488367736345477
Energy: 1.6615761370874855
Energy: 1.6473111292680118
Energy: 1.5953611314956941
Energy: 1.5958110179218403
Energy: 1.557735748603969
Energy: 1.5229347206690194
Energy: 1.374488081200905
Energy: 1.5452053174899734
Energy: 1.5813970719463353
Energy: 1.638098490286544
Energy: 1.539146152412776
Energy: 1.3676980246617543
Energy: 1.6555666017972153
Energy: 1.5811880433457386
Energy: 1.52277039368981
Energy: 1.5695674703876699
Energy: 1.562468962631917
Energy: 1.5043990622726715
Energy: 1.5447617978002528
Energy: 1.4963902359948205
Energy: 1.599048030795212
Energy: 1.645699940557925
Energy: 1.4837679819791119
Energy: 1.5600949535104438
Energy: 1.5079019119550794
Energy: 1.5810543632869325
Energy: 1.6313571823343895
Energy: 1.558271152415364
Energy: 1.7190690652260792
Energy: 1.5810074050450085
Energy: 1.597946287264314
Energy: 1.6446242757214966
Energy: 1.5920128395458446
Energy: 1.6326942891944436
Energy: 1.5746730969549605
Energy: 1.604120501300972
Energy: 1.6309265138123283
Energy: 1.6091372982826515
Energy: 1.5622504811345124
Energy: 1.551307617355626
Energy: 1.5488193154876213
Energy: 1.5654023903972463
Energy: 1.5731809728390973
Energy: 1.6600781407843848
Energy: 1.744227383061934
Energy: 1.6668517209251008
Energy: 1.616222328684942
Energy: 1.7088704974433981
Energy: 1.6895764973717855
Energy: 1.6775091093807464
Energy: 1.759840338956561
Energy: 1.7636863532156681
Energy: 1.7681547423098094
Energy: 1.6598497360651627
Energy: 1.6562937470692367
Energy: 1.7922606644249426
Energy: 1.6604203135237716
Energy: 1.7761012249831294
Energy: 1.655144239505867
Energy: 1.6846647457434043
Energy: 1.6924458165043141
Energy: 1.6997191203973625
Energy: 1.7440661738456036
Energy: 1.4767041486568007
Energy: 1.7412690431783449
Energy: 1.6727105210344697
Energy: 1.6390703967863292
Energy: 1.7809184872046107
Energy: 1.7011428606227068
Energy: 1.7196824050699133
Energy: 1.5598316469728304
Energy: 1.782895106642471
Energy: 1.6667169893208924
Energy: 1.6452940427332536
Energy: 1.7797870879951314
Energy: 1.6346044605102454
Energy: 2.43069737960944
Energy: 1.7518909872904753
Energy: 1.6612044043020358
Energy: 1.7087360664511633
Energy: 1.6886747382878928
Energy: 1.643656598757961

minimum gb energy = 1.3488367736345477 eV
minimum distance =  2.14799114628743 Angstroms
sigma value = 365


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

Energy: 1.5027116749593192
Energy: 1.4356936387136277
Energy: 1.43980809934951
Energy: 1.4325046973040856
Energy: 1.4329887507594345
Energy: 1.4371261482227613
Energy: 1.4344039328935485
Energy: 1.4359026102162165
Energy: 1.7383355257073463
Energy: 1.4019256303276215
Energy: 1.4028016225942697
Energy: 1.4002875763825047
Energy: 1.3982336385544079
Energy: 1.729901165893864
Energy: 1.3986291431172844
Energy: 2.233934085981894
Energy: 1.4013713730290154
Energy: 1.415317125934316
Energy: 1.4119945137260206
Energy: 1.402525067752863
Energy: 1.4269834202317375
Energy: 1.3992400023134959
Energy: 2.2319272400920918
Energy: 1.4035373483258822
Energy: 1.4348915412288779
Energy: 1.4323935898586428
Energy: 1.4065061259111575
Energy: 1.4376305156368263
Energy: 1.4342069943397897
Energy: 1.7255112275766018
Energy: 1.40859023817912
Energy: 2.0284290791872555
Energy: 1.4003562389661561
Energy: 1.4081789105757172
Energy: 1.7212509578620685
Energy: 1.3980575123697343
Energy: 2.384893067234642
Energy: 1.4347955745695524
Energy: 1.433002835014729
Energy: 1.4334793842501632
Energy: 1.4382267070849866
Energy: 1.4347752095598243
Energy: 1.3993897040005916
Energy: 1.7612372892808057
Energy: 1.4008763450143065
Energy: 1.4099134156292148
Energy: 1.4074551545411618
Energy: 1.4011444120180991
Energy: 1.7371635033777915
Energy: 1.3985804567440656
Energy: 1.7594775856820564
Energy: 1.400256465463339
Energy: 1.411343029311973
Energy: 1.407886544818661
Energy: 1.4013413908946546
Energy: 2.141377935783445
Energy: 1.3996042758348943
Energy: 2.855023890617452
Energy: 1.4002837551822074
Energy: 1.433791450091633
Energy: 1.4341598861824398
Energy: 1.4296397879304672
Energy: 1.4357321981666356
Energy: 1.4337305051540428
Energy: 1.7198530108689853
Energy: 1.4086817780289167
Energy: 1.7126852112334205
Energy: 3.304851575852232
Energy: 1.4099323064856504
Energy: 1.7172858285136532
Energy: 1.4005213603639426
Energy: 2.7969510186712014
Energy: 1.399375826531688
Energy: 1.4344230604696915
Energy: 1.4352438301721289
Energy: 1.4043375925857484
Energy: 1.4362417316678435
Energy: 1.3985934826329671
Energy: 1.7594549354512945
Energy: 1.400118048869882
Energy: 1.4124673775203407
Energy: 1.4089469704296775
Energy: 1.4013524088489258
Energy: 2.378919796497957
Energy: 1.3992777767083089
Energy: 1.7386723000772153
Energy: 1.4011212126961536
Energy: 1.409490876892932
Energy: 1.4056374754459091
Energy: 1.4013510491077041
Energy: 1.7378232349459553
Energy: 1.3984487716430254
Energy: 2.3446613437394026
Energy: 1.440053106211682
Energy: 1.4327302784246476
Energy: 1.4331329342923778
Energy: 1.4375093789851203
Energy: 1.4346412480109247
Energy: 1.4346935195192323
Energy: 1.727911446583906
Energy: 1.4083247825057634
Energy: 1.383692183864164
Energy: 1.4002898590707464
Energy: 1.3980803355034663
Energy: 1.7246308669667927
Energy: 1.3985293650739663
Energy: 2.5460221989436707
Energy: 1.4027579008288262
Energy: 1.4322655080895883
Energy: 1.419566455691372
Energy: 1.4044683181147917
Energy: 1.4373099210833218
Energy: 1.3988023104275853
Energy: 2.130271936386841
Energy: 1.4000336245724767
Energy: 1.4236446514627317
Energy: 1.4142608268224737
Energy: 1.4034386159707575
Energy: 1.4339866204297844
Energy: 1.435156035737874
Energy: 1.7299815371073277
Energy: 1.397905101827961
Energy: 1.4014567114385899
Energy: 1.400403133837483
Energy: 1.397980684362339
Energy: 1.7253412701426558
Energy: 1.3978137404640385
Energy: 2.519484307100799
Energy: 1.439653794242983
Energy: 1.4325600917967432
Energy: 1.4331680296257754
Energy: 1.437236685220934
Energy: 1.4344814692225898
Energy: 1.3999092892238412
Energy: 1.7370719555381469
Energy: 1.400516478476344
Energy: 1.4078917657155856
Energy: 1.406410151311499
Energy: 1.4020830990834265
Energy: 1.7378675577946474

minimum gb energy = 1.383692183864164 eV
minimum distance =  2.1360642536232 Angstroms
sigma value = 23