Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56200759857893
cohesive_energy=4.399993240679222
mass=55.845
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=[9.48533428273752e-20, 2.6078629071617996e-19, 3.6620791105674603e-19, 4.2384781764152996e-19, 4.57442257303242e-19, 4.84621581722418e-19, 5.1193548897885e-19, 5.405904180779399e-19, 5.68048521231432e-19, 5.926899978623519e-19, 6.140261840973299e-19, 6.32151608357772e-19, 6.47252123133222e-19, 6.5959208756829e-19, 6.6972585477834e-19, 6.78180540875958e-19, 6.8520288106278e-19, 6.909482864723041e-19, 6.955481355885179e-19, 6.99116182952436e-19, 7.01753365692e-19, 7.03546201345446e-19, 7.0457319656784e-19, 7.0490164277781e-19, 7.045507660949639e-19, 7.03341122736294e-19, 7.00643057284638e-19, 6.95594598710904e-19, 6.871655474394299e-19, 6.741302383452059e-19, 6.55027486338024e-19, 6.28112521063458e-19, 5.91557258982114e-19, 5.43589692736788e-19, 4.824506323833479e-19, 4.06142163659196e-19, 3.12297871675914e-19, 1.98057871141812e-19, 5.8855157561673e-20, -1.124689544828784e-19, -3.2562317474089195e-19, -5.9527591094962795e-19, -9.465611488372978e-19, -1.413727016132286e-18, -2.0395067680166397e-18, -2.8771727775708595e-18, -3.98903529626784e-18, -5.43870073647738e-18, -7.29908415681282e-18, -9.749677405581179e-18, -1.3257306688631038e-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: 0.021405512062230344
Energy: 0.8864756405678248
Energy: 0.8826353559748054
Energy: 1.2811354008164701
Energy: 1.339088116892008
Energy: 0.2962421402369578
Energy: 0.022574974702069525
Energy: 0.2925906235837517
Energy: 0.920038334945941
Energy: 0.1917781568640258
Energy: 1.0666168524302515
Energy: 1.0898769706881584
Energy: 0.023632451677421167
Energy: 0.08271691821210433
Energy: 0.022167210410450663
Energy: 1.2816753954122386
Energy: 1.0606601613068196
Energy: 1.056407035428696
Energy: 1.153017409105963
Energy: 0.08058840238444709
Energy: 0.08267226583096761
Energy: 0.023990526245712202
Energy: 0.8871457201778403
Energy: 0.8826489830341214
Energy: 1.2807157406995684
Energy: 1.339922802338158
Energy: 0.29841713362309613
Energy: 0.022734402407345655
Energy: 0.29249481921292214
Energy: 0.9125563335910389
Energy: 0.1897135064618362
Energy: 0.883035691506749
Energy: 0.8859017640348053
Energy: 0.023973296622936145
Energy: 0.2955997205093043
Energy: 0.02216759733701461
Energy: 1.0579452168270977
Energy: 1.0606206236088556
Energy: 1.060946775297969
Energy: 1.148863815222252
Energy: 0.08051481923388533
Energy: 0.08210607947295964

minimum gb energy = 0.021405512062230344 eV
minimum distance =  2.49567378728103 Angstroms
sigma value = 5


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

Energy: 1.5121152264826283
Energy: 1.7657363095920169
Energy: 1.6025248354030606
Energy: 1.7949221134036588
Energy: 1.6972931864887761
Energy: 1.6632437913424538
Energy: 1.6364012508976622
Energy: 1.331649497845393
Energy: 1.480226290606306
Energy: 1.344428716924794
Energy: 1.457382277582896
Energy: 1.3598841026868338
Energy: 1.359254515268914
Energy: 1.395324895335696
Energy: 1.753992593455981
Energy: 1.3088272659309588
Energy: 1.5963165657932772
Energy: 1.3752376103499016
Energy: 1.420417234715617
Energy: 1.6005230206638612
Energy: 1.2911287123518065
Energy: 1.3919604923478375
Energy: 1.4912391047159308
Energy: 1.392515904131687
Energy: 1.4790606683330816
Energy: 1.5135693420411067
Energy: 1.471157010209687
Energy: 1.5661646787155263
Energy: 1.578861530028755
Energy: 1.5558067441911652
Energy: 1.5046306184126739
Energy: 1.4670923099065794
Energy: 1.4446940502418184
Energy: 1.659268212194094
Energy: 1.5392210023401802
Energy: 1.4699313200514021
Energy: 1.4215560132357339
Energy: 1.3691497494462428
Energy: 1.373013741600113
Energy: 1.4053727686785058
Energy: 1.4346316636270784
Energy: 1.4787802396298262
Energy: 1.5138259872779956
Energy: 1.3484675839793991
Energy: 1.4051142216206667
Energy: 1.3841336329695604
Energy: 1.3531592127909102
Energy: 1.5365434658243728
Energy: 1.3883410249337267
Energy: 1.3546309620335537
Energy: 1.3857868760599623
Energy: 1.4401146070330804
Energy: 1.473880629232436
Energy: 1.3875550384149047
Energy: 1.5272526170540999
Energy: 1.545882416869121
Energy: 1.4262727745424661
Energy: 1.3184956790628417
Energy: 1.3871177529521406
Energy: 1.3280838265236599
Energy: 1.5629906049048166
Energy: 1.44813119361303
Energy: 1.3649516590692903
Energy: 1.5088554336939786
Energy: 1.5733676364802074
Energy: 1.5377390754598719
Energy: 1.60938785378426
Energy: 1.6338175047866152
Energy: 1.5540759194310518
Energy: 1.5852380296878275
Energy: 1.3411643034281393
Energy: 1.5240170201960752
Energy: 1.5505568682157231
Energy: 1.6184356715093369
Energy: 1.5489063825029843
Energy: 1.425376065655702
Energy: 1.4125656153729251
Energy: 1.6585852512224242
Energy: 1.3360444219437804
Energy: 1.565801214837951
Energy: 1.5771767163215007
Energy: 1.4335156266211277
Energy: 1.4496972982779628
Energy: 1.3747011668715858
Energy: 1.457869416420113
Energy: 1.3807590799298781
Energy: 1.4463076603237286
Energy: 1.40006427301045
Energy: 1.4195634620895927
Energy: 1.4427714843444819
Energy: 1.3800945174654455
Energy: 1.4559741347763253
Energy: 1.5121195453724101
Energy: 1.59243696918487
Energy: 1.4933377099639136
Energy: 1.5036383142414123
Energy: 1.6056341137773673
Energy: 1.5307103880110247
Energy: 1.4163987700654617
Energy: 1.4269750881294043
Energy: 1.4773349726052707
Energy: 1.4030838799152479
Energy: 1.5017651212923089
Energy: 1.4024220890671573
Energy: 1.426617290949067
Energy: 1.5451235420504852
Energy: 1.4120799569216023
Energy: 1.6703857711819654
Energy: 1.3504965242480784
Energy: 1.4712686015768182
Energy: 1.4685178745017509
Energy: 1.4029261884066062
Energy: 1.3946293694223886
Energy: 1.5550746961056325
Energy: 1.4241631559540184
Energy: 1.3657591324770437
Energy: 1.4244397135871545
Energy: 1.4273927746371553
Energy: 1.6143207783446945
Energy: 1.5634644461928822
Energy: 1.308183654928653
Energy: 1.4597767080244575
Energy: 1.467161157997578
Energy: 1.3735158380739187
Energy: 1.5276267364817933
Energy: 1.534334996963203
Energy: 1.555245245065267
Energy: 1.407329673386397
Energy: 1.355111035955399
Energy: 1.4414010471856797
Energy: 1.4567570132015408
Energy: 1.370529632074711
Energy: 1.4552997276989517
Energy: 1.6742760488324337
Energy: 1.5534205409641662
Energy: 1.5677935186393563
Energy: 1.4908819707959837
Energy: 1.4920909363733856
Energy: 1.6003360201663483
Energy: 1.3869835938985882
Energy: 1.384533151794466
Energy: 1.486459304157701
Energy: 1.363660255388666
Energy: 1.35429145016783
Energy: 1.4351813886441152
Energy: 1.448834234123226
Energy: 1.5522670946612216
Energy: 1.656639961412267
Energy: 1.310281783393186
Energy: 1.571932120107182
Energy: 1.4058422104749706
Energy: 1.4345345598028496
Energy: 1.5306536940030986
Energy: 1.2984350078039126
Energy: 1.3489254668235597
Energy: 1.5893468274657963
Energy: 1.4239662757338383
Energy: 1.5414283629477592
Energy: 1.4361775571257933
Energy: 1.3840356387542416
Energy: 1.4044812890882297
Energy: 1.5104959779293765
Energy: 1.505155822853448
Energy: 1.6722009402242295
Energy: 1.6400078580373543
Energy: 1.698329201927338
Energy: 1.5218620816475934
Energy: 1.5680210674637771
Energy: 1.3486963586060645
Energy: 1.3914201046255803
Energy: 1.4131651185408578
Energy: 1.4004999125043958
Energy: 1.379838946476852
Energy: 1.344796081819328
Energy: 1.3442684396518751
Energy: 1.4040156784472764
Energy: 1.3124520865046696
Energy: 1.669833462201157
Energy: 1.4509086909947835
Energy: 1.4247345679212884
Energy: 1.535070275823352
Energy: 1.3940468312112404
Energy: 1.4364070462105643
Energy: 1.5358137573082926
Energy: 1.3936128018337992
Energy: 1.4030487661803308
Energy: 1.5315344234208834
Energy: 1.485526227531192
Energy: 1.455339540420729
Energy: 1.3689344789283608
Energy: 1.4593623946317198
Energy: 1.4743619545955082
Energy: 1.3741766853774098
Energy: 1.3762995728498266
Energy: 1.653383952905022
Energy: 1.6192689268557798
Energy: 1.4467985556117489
Energy: 1.4767335036207192
Energy: 1.4640926802892824
Energy: 1.374491292561514
Energy: 1.3750772814838588
Energy: 1.4734137674923928
Energy: 1.488309343766257
Energy: 1.5451978670467146
Energy: 1.4755672104406954
Energy: 1.4032667891898838
Energy: 1.488879326268223
Energy: 1.4269647921674469
Energy: 1.4460990007854604
Energy: 1.3903401655753593
Energy: 1.4658376850260648
Energy: 1.343318358119032
Energy: 1.487842041108425
Energy: 1.4428976840972136
Energy: 1.3536861612134394
Energy: 1.534046751429436
Energy: 1.4046363220682145
Energy: 1.389764390163786
Energy: 1.4435067907543282
Energy: 1.429061762912787
Energy: 1.3679949373156586
Energy: 1.477290387643363
Energy: 1.452066981242143
Energy: 1.3149289540196027
Energy: 1.5365967213543823
Energy: 1.4397432006508923
Energy: 1.5910752071025092
Energy: 1.6582613024146615
Energy: 1.4472059340878558
Energy: 1.5252790572571406
Energy: 1.5118206015114257
Energy: 1.3424795871224233
Energy: 1.5380462492276146
Energy: 1.5617932413040416
Energy: 1.6070446420666114
Energy: 1.4741277264843973
Energy: 1.4446693939103268
Energy: 1.500116879980019
Energy: 1.6522026900974272
Energy: 1.3182147735220064
Energy: 1.6599035701281666
Energy: 1.4293193394235333
Energy: 1.4217934085775095
Energy: 1.376544807140964
Energy: 1.316047645691425
Energy: 1.4590383968517715
Energy: 1.4476619931962555
Energy: 1.418239445358357
Energy: 1.4085303338778765
Energy: 1.4651003050600466
Energy: 1.4572944731626247
Energy: 1.3962795788202458
Energy: 1.4620473140427166
Energy: 1.4831462395534913
Energy: 1.6026241599360722
Energy: 1.514576567330869
Energy: 1.5022596712085106
Energy: 1.609946417752149
Energy: 1.345302847682911
Energy: 1.3940124025301524
Energy: 1.476491934779702
Energy: 1.3787813431918483
Energy: 1.446897635860879
Energy: 1.5268903481444218
Energy: 1.4277797289206438
Energy: 1.3953559983207313
Energy: 1.5779629268923538
Energy: 1.406870331593208
Energy: 1.6051813657226837
Energy: 1.4396876567454218
Energy: 1.485268274782773
Energy: 1.498534209287232
Energy: 1.4908693011161334
Energy: 1.3975275656459636
Energy: 1.6639791471788936
Energy: 1.4228072044531808
Energy: 1.3756042673616462
Energy: 1.4537653911788173
Energy: 1.427411594260166
Energy: 1.4344721532626525
Energy: 1.6592986589047003
Energy: 1.3075553761950864
Energy: 1.5317569091799872
Energy: 1.4636989925586557
Energy: 1.3806867029613268
Energy: 1.6517576149003568
Energy: 1.4474104088773423
Energy: 1.4819120446215672
Energy: 1.393250880174121
Energy: 1.3625576889083624
Energy: 1.4718065111852792
Energy: 1.3946344164055018
Energy: 1.367780527678163
Energy: 1.3761487802395016
Energy: 1.6082924330237496
Energy: 1.622519463919056
Energy: 1.5663775077514026
Energy: 1.4919838047081253
Energy: 1.5350817564938792
Energy: 1.5826385509664525
Energy: 1.4349103795028395
Energy: 1.380195262694993
Energy: 1.4933576534494082
Energy: 1.369694922140425
Energy: 1.515551473258843
Energy: 1.3611782685927918
Energy: 1.440960913708131
Energy: 1.4283566832547425
Energy: 1.653662902922075
Energy: 1.3291105400435812
Energy: 1.5373501689667513
Energy: 1.4501005627422148
Energy: 1.5044818979155612
Energy: 1.3963110152443736
Energy: 1.3287268491700783
Energy: 1.3458371863238032
Energy: 1.5176964421109618
Energy: 1.4942544057924496
Energy: 1.5985628090784794
Energy: 1.4851675755444629
Energy: 1.4488466926553127
Energy: 1.4982707547894845
Energy: 1.4902174395303762
Energy: 1.5908766370929845
Energy: 1.611709127368957
Energy: 1.6352362791456443
Energy: 1.737559479566246
Energy: 1.4757898215550762
Energy: 1.6108822326762717

minimum gb energy = 1.2911287123518065 eV
minimum distance =  2.31879344982915 Angstroms
sigma value = 401


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

Energy: 1.5648958441370229
Energy: 1.6786783268314638
Energy: 1.4179117211149643
Energy: 1.3489453232907598
Energy: 1.752455697778386
Energy: 1.3693512600240418
Energy: 1.5613046161078863
Energy: 1.3342950189967775
Energy: 1.3827300654932886
Energy: 1.4735898544875394
Energy: 1.56196832341506
Energy: 1.4036247752616278
Energy: 1.5170622410358576
Energy: 1.31954244421783
Energy: 1.4833575152494398
Energy: 1.4411426842093917
Energy: 1.6329920353498653
Energy: 1.439127931770142
Energy: 1.4889044708433692
Energy: 1.672205421080456
Energy: 1.3814066741470137
Energy: 1.4689309581301233
Energy: 1.3766756837894314
Energy: 1.4753503807302666
Energy: 1.404910153132941
Energy: 1.4287800488693607
Energy: 1.4553369045606765
Energy: 1.4310411313851417
Energy: 1.6037131743933042
Energy: 1.4156464214505036
Energy: 1.4559562285223204
Energy: 1.365321535645836
Energy: 1.383637546629817
Energy: 1.635059814038321
Energy: 1.4232576342148708
Energy: 1.502258482586279
Energy: 1.380666972806624
Energy: 1.3292614550784045
Energy: 1.3878591609442041
Energy: 1.383317355013376
Energy: 1.3065483455804
Energy: 1.4690183688147398
Energy: 1.7252167519854544
Energy: 1.3620853668912618
Energy: 1.441593259371603
Energy: 1.3437489238085747
Energy: 1.3881236984362963
Energy: 1.49239032960109
Energy: 1.4149397425219055
Energy: 1.4114124668416526
Energy: 1.4096060080499622
Energy: 1.467078968688812
Energy: 1.365503868110328
Energy: 1.383389440724189
Energy: 1.4184600423786702
Energy: 1.442937314852596
Energy: 1.4271920777896248
Energy: 1.3416416967939593
Energy: 1.4872258311367978
Energy: 1.3283663674398885
Energy: 1.503752544044978
Energy: 1.439319569732692
Energy: 1.30888210270377
Energy: 1.4069098792592343
Energy: 1.3347639390524473
Energy: 1.4342704090530616
Energy: 1.3443461326619053
Energy: 1.3867253596923674
Energy: 1.4842899365839777
Energy: 1.350109972863212
Energy: 1.4907869850981075
Energy: 1.3768262981235084
Energy: 1.3847908873218815
Energy: 1.6446545656295926
Energy: 1.7128148955610527
Energy: 1.3979425894747044
Energy: 1.547347734480152
Energy: 1.338757457187189
Energy: 1.3552005575885346
Energy: 1.3645012284891131
Energy: 1.346601123116625
Energy: 1.4236371008243898
Energy: 1.4076101194904742
Energy: 1.338970745270162
Energy: 1.4096057758616745
Energy: 1.4229440052085096
Energy: 1.4821849520849217
Energy: 1.5169582977650375
Energy: 1.3910740624448907
Energy: 1.6629227479224087
Energy: 1.435630179919727
Energy: 1.4594453610107818
Energy: 1.3082353801057753
Energy: 1.5154936029171493
Energy: 1.3693773545818784
Energy: 1.4357642722512358
Energy: 1.5461378679776678
Energy: 1.3619376945177823
Energy: 1.6830225618351509
Energy: 1.3967566683590198
Energy: 1.3669371912848391
Energy: 1.356755527306715
Energy: 1.3687973757750644
Energy: 1.3767443760790918
Energy: 1.3883404277713336
Energy: 1.5663496603447524
Energy: 1.5460981909233702
Energy: 1.3332932730371632
Energy: 1.3735011988839965
Energy: 1.3960176784147311
Energy: 1.33930705313501
Energy: 1.447816311773702
Energy: 1.4771058124776997
Energy: 1.3896317718665345
Energy: 1.4155027967531408
Energy: 1.3944060133272227
Energy: 1.4012796978714375
Energy: 1.4881976848880374
Energy: 1.3845769157615866
Energy: 1.4075616361188572
Energy: 1.4996574872931283
Energy: 1.4337399458732956
Energy: 1.375784439772869
Energy: 1.3664890681818926
Energy: 1.6208085842462328
Energy: 1.3751288565596613
Energy: 1.3855302458883347
Energy: 1.361899211804922
Energy: 1.3416115166187113
Energy: 1.3411217346974493
Energy: 1.4381035386905285
Energy: 1.493980853268438
Energy: 1.3174498146457758
Energy: 1.407723132185361
Energy: 1.402182578031176
Energy: 1.4857169283015188
Energy: 1.6906862539419505
Energy: 1.7024229262026986
Energy: 1.388494531448204
Energy: 1.4767485409983645
Energy: 1.3314553479436302
Energy: 1.3529326072440113
Energy: 1.5357770821509118
Energy: 1.3617921316908803
Energy: 1.3779164319969908
Energy: 1.4411512397052924
Energy: 1.4236659432359478
Energy: 1.3537439361926427
Energy: 1.3486429833994689
Energy: 1.451768210578175
Energy: 1.3383278460488934
Energy: 1.509367307566399
Energy: 1.4184769818377623
Energy: 1.4187091893143229
Energy: 1.4035447191335424
Energy: 1.424432542957565
Energy: 1.3887262186510079
Energy: 1.3752942012723803
Energy: 1.3996954774440353
Energy: 1.4630507727092528
Energy: 1.4332959012586184
Energy: 1.7278898402632943
Energy: 1.3431587861696832
Energy: 1.4988802206260379
Energy: 1.3315786346036513
Energy: 1.4253989463984569
Energy: 1.5313234769384039
Energy: 1.4554433354884246
Energy: 1.700900320309283
Energy: 1.367820986847096
Energy: 1.3793169271018273
Energy: 1.3284841214010419
Energy: 1.379704229077839
Energy: 1.359020796418971
Energy: 1.4537564855590477
Energy: 1.589628375909522
Energy: 1.4100061319133015
Energy: 1.439348599558459
Energy: 1.3574102574709486
Energy: 1.3780780127202246
Energy: 1.6531729243545508
Energy: 1.4498926765563616
Energy: 1.4684563192647597
Energy: 1.5666646097267987
Energy: 1.4142696831951735
Energy: 1.3527128696193809
Energy: 1.385145204947879
Energy: 1.4779368385056135
Energy: 1.351120493445871
Energy: 1.5970701202312656
Energy: 1.5137072293647855
Energy: 1.503619320862604
Energy: 1.355742111611403
Energy: 1.332334910360168
Energy: 1.5741610573850424
Energy: 1.4010537486190013
Energy: 1.4212864555123124
Energy: 1.3701432166784102
Energy: 1.640789540410264
Energy: 1.524453680166097
Energy: 1.3923524222800852
Energy: 1.4988575571528209
Energy: 1.3643281971786523
Energy: 1.409218842141897
Energy: 1.4314969992511561
Energy: 1.5150561735713661
Energy: 1.3232398078230414
Energy: 1.5862719985293225
Energy: 1.3756551583454066
Energy: 1.4393872224206785
Energy: 1.339386468441773
Energy: 1.3448567340567403
Energy: 1.5476471614643479
Energy: 1.351908793218567
Energy: 1.3635609897820697
Energy: 1.4227832488781482
Energy: 1.4199377777119655
Energy: 1.3266340346911516
Energy: 1.3486934466227465
Energy: 1.5183998642071506
Energy: 1.377060074765049
Energy: 1.5100055862562887
Energy: 1.444305920905622
Energy: 1.420932667841755
Energy: 1.4054285660017656
Energy: 1.3958056423863106
Energy: 1.4053955269651048
Energy: 1.5559705980178424
Energy: 1.4986502452559787
Energy: 1.4801162796154244
Energy: 1.4204619427605085
Energy: 1.4712442306491595
Energy: 1.3264044822514247
Energy: 1.5464133264350979
Energy: 1.3666385473717197
Energy: 1.406220147222447
Energy: 1.5343551120706576
Energy: 1.3866874908920663
Energy: 1.5136357505842029
Energy: 1.607216257981537
Energy: 1.3828755206266152
Energy: 1.328621337223666
Energy: 1.3679288846290945
Energy: 1.35130800201004
Energy: 1.486423902997786
Energy: 1.618800258659455
Energy: 1.4686547682707023
Energy: 1.4398453956081594
Energy: 1.3653382054787921
Energy: 1.6509678336895806
Energy: 1.6616622771621103
Energy: 1.4617803322260177
Energy: 1.389200033736244
Energy: 1.50954833671031
Energy: 1.3106127861568133
Energy: 1.4871586001637311
Energy: 1.393657034990456
Energy: 1.340283738155355
Energy: 1.4435445534259876
Energy: 1.5431063141317216
Energy: 1.3518983198461574
Energy: 1.475562979751187
Energy: 1.370223500844841
Energy: 1.399878539658955
Energy: 1.5421496178298415
Energy: 1.3374586664885957
Energy: 1.403133152281755
Energy: 1.3435476567565778
Energy: 1.6312150389939417
Energy: 1.6266150280785947
Energy: 1.40178760874257
Energy: 1.4597814422735038
Energy: 1.3659775991606171
Energy: 1.449435618427396
Energy: 1.4008609629322037
Energy: 1.5521200905965138
Energy: 1.337761943841897
Energy: 1.5229202658630867
Energy: 1.3605716012991709
Energy: 1.5337646715722109
Energy: 1.3364246274221037
Energy: 1.3694835051772276
Energy: 1.444689606846334
Energy: 1.3652645499189273
Energy: 1.4060643245996847
Energy: 1.4787590361563483
Energy: 1.4021274090928053

minimum gb energy = 1.3065483455804 eV
minimum distance =  2.31814011397363 Angstroms
sigma value = 311


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

Energy: 1.533601500270911
Energy: 1.7062718689576337
Energy: 1.4961222663901144
Energy: 1.4998367799283026
Energy: 1.4557462615970846
Energy: 1.4336061467734675
Energy: 1.403977796967606
Energy: 1.401718097466498
Energy: 1.4229194770216524
Energy: 1.4621195808248564
Energy: 1.4175405688698304
Energy: 1.4380386965175593
Energy: 1.4237585021647292
Energy: 1.411843451146659
Energy: 1.4507263412846416
Energy: 1.3325831961907095
Energy: 1.418137331313182
Energy: 1.4050004652918888
Energy: 1.3435479296258297
Energy: 1.489320143814873
Energy: 1.3327771256595515
Energy: 1.4164807271437958
Energy: 1.4930299350857668
Energy: 1.4173465546129969
Energy: 1.5699265112761518
Energy: 1.4880821383438192
Energy: 1.389703642312178
Energy: 1.5865888723416464
Energy: 1.3939302253830823
Energy: 1.4529617794532805
Energy: 1.3882591122886148
Energy: 1.6162467715965951
Energy: 1.3829671914539716
Energy: 1.6054626377100687
Energy: 1.3005490831061837
Energy: 1.4401332924716614
Energy: 1.4858408596698227
Energy: 1.3932271659390798
Energy: 1.4665018154011078
Energy: 1.41793467043533
Energy: 1.4110339250577772
Energy: 1.4521206156223472
Energy: 1.5272488964091568
Energy: 1.4201380525037233
Energy: 1.5233190454269634
Energy: 1.3786441743137898
Energy: 1.5023714232584968
Energy: 1.436268174390816
Energy: 1.3862789636829926
Energy: 1.41892378449583
Energy: 1.5740771258893225
Energy: 1.4752029778087097
Energy: 1.453632702814576
Energy: 1.4450813011589623
Energy: 1.5715846422749098
Energy: 1.5150768343554923
Energy: 1.417213594569577
Energy: 1.3310427793222799
Energy: 1.4163551204297544
Energy: 1.3363775541359362
Energy: 1.3610046895806185
Energy: 1.401338678655382
Energy: 1.3323759646698223
Energy: 1.4159656310669042
Energy: 1.4484365866448365
Energy: 1.4174821702391542
Energy: 1.562187880789201
Energy: 1.5427323493118406
Energy: 1.365248382097615
Energy: 1.523644138276653
Energy: 1.5677179495188558
Energy: 1.3865864221971942
Energy: 1.396701982139255
Energy: 1.6194359338986175
Energy: 1.3834286314720434
Energy: 1.5652007977299875
Energy: 1.344103498584117
Energy: 1.355268261192636
Energy: 1.415775751691822
Energy: 1.392352315691411
Energy: 1.3787412150971559
Energy: 1.3756091125352732
Energy: 1.41193044853922
Energy: 1.4607964555486188
Energy: 1.5180723752279315
Energy: 1.421106692093114
Energy: 1.5384140554087384
Energy: 1.3803730658625981
Energy: 1.5289473344393087
Energy: 1.433596144572479
Energy: 1.386520259645523
Energy: 1.4134394125147032
Energy: 1.525055654242158
Energy: 1.4216429908820003
Energy: 1.4885414217311703
Energy: 1.4469761967903396
Energy: 1.4825828745578584
Energy: 1.4148162689893016
Energy: 1.4226163982317965
Energy: 1.3310710107128545
Energy: 1.4937942701453863
Energy: 1.3640833476915213
Energy: 1.369727100693648
Energy: 1.4895995977293293
Energy: 1.3306390180038787
Energy: 1.418551115178577
Energy: 1.465502886145007
Energy: 1.3911543435769866
Energy: 1.56101157197912
Energy: 1.4338295798585563
Energy: 1.3318003658464095
Energy: 1.4829260222955034
Energy: 1.5818060992011447
Energy: 1.6606588744679873
Energy: 1.3952830729242018
Energy: 1.62162919433691
Energy: 1.3838402082515373
Energy: 1.5646469582483278
Energy: 1.3417903060117604
Energy: 1.3324188893436348
Energy: 1.5035362002094204
Energy: 1.3985867302509396
Energy: 1.376282774345109
Energy: 1.377250071938691
Energy: 1.3772344394831828
Energy: 1.3821531153709627
Energy: 1.5228677489388907
Energy: 1.4413334743067063
Energy: 1.5486282236217623
Energy: 1.3594515843452437
Energy: 1.5291044044001811
Energy: 1.3819516955470261
Energy: 1.3296084496814597
Energy: 1.438470709382968
Energy: 1.4773833238932406
Energy: 1.4448076097786353
Energy: 1.5717739791069327
Energy: 1.445359470266967
Energy: 1.4817360325335092
Energy: 1.4759895931784819
Energy: 1.4731765166906565
Energy: 1.334103705706362
Energy: 1.4966119364048966
Energy: 1.3891988791283925
Energy: 1.359537927280886
Energy: 1.5212416606626435
Energy: 1.3359003850076911
Energy: 1.3894281211167718
Energy: 1.503155104160452
Energy: 1.4525719425456214
Energy: 1.3858193295278007
Energy: 1.5101296824329746
Energy: 1.3353673930706782
Energy: 1.3416391410267996
Energy: 1.5806317570167976
Energy: 1.6236463577318578
Energy: 1.3935471423805814
Energy: 1.5702770422049301
Energy: 1.4354171824665976
Energy: 1.5692740042613376
Energy: 1.4230912617933862
Energy: 1.4571314146403938
Energy: 1.5929770576281341
Energy: 1.3976625102480509
Energy: 1.5331412247702703
Energy: 1.3824726817003716
Energy: 1.3760768132662236
Energy: 1.373274684055357
Energy: 1.5497313963143236
Energy: 1.3702198392454588
Energy: 1.5488807072455897
Energy: 1.3657345294645968
Energy: 1.528823244451816
Energy: 1.507339368297981
Energy: 1.3819472663293273
Energy: 1.4859736692898589
Energy: 1.429127275231348
Energy: 1.4783237956526996
Energy: 1.56936694957259
Energy: 1.4434266522696417
Energy: 1.4825969809642827
Energy: 1.3908099844990884
Energy: 1.4768523466163193
Energy: 1.3313172860203557
Energy: 1.4968652108820901
Energy: 1.386406030563718
Energy: 1.4057951065327958
Energy: 1.4037245162699203
Energy: 1.334327468070709
Energy: 1.416099252849528
Energy: 1.4572971088551745
Energy: 1.4385557600271996
Energy: 1.3612319553998864
Energy: 1.491780142870501
Energy: 1.3048039239802496
Energy: 1.3419788726744244
Energy: 1.5901276458107827
Energy: 1.3993910176582962
Energy: 1.4404627813137172
Energy: 1.5291161079657403
Energy: 1.3781140591661023
Energy: 1.5687660017423428
Energy: 1.4962094733718119
Energy: 1.457332792938051
Energy: 1.4948571167125153
Energy: 1.4577440866334923
Energy: 1.5105192813270396
Energy: 1.5799920028695886
Energy: 1.391173523208907
Energy: 1.4568067239770155
Energy: 1.55114976949143
Energy: 1.4270622778610376
Energy: 1.4326778888054779
Energy: 1.3773843920971425
Energy: 1.355535757336949
Energy: 1.3963294802319794
Energy: 1.366150925286025
Energy: 1.476837720609908
Energy: 1.505604411695046
Energy: 1.4142770117901216
Energy: 1.5018482635846122
Energy: 1.4697408820212348
Energy: 1.4820240555941722
Energy: 1.38903870251494
Energy: 1.4365434105585824
Energy: 1.3329784566778742
Energy: 1.4100476703704117
Energy: 1.3819687478195275
Energy: 1.3836808827461764
Energy: 1.3324912744486368
Energy: 1.301516264167734
Energy: 1.4579702700458441
Energy: 1.4104369964357684
Energy: 1.44119355541911
Energy: 1.3985403295281151
Energy: 1.3844166131966331
Energy: 1.4171448493299086
Energy: 1.3411239493639442
Energy: 1.5286002817860238
Energy: 1.435161269219829
Energy: 1.3930715361395918
Energy: 1.600237799870659
Energy: 1.3871336597310024
Energy: 1.5724380393352841
Energy: 1.5850343777894604
Energy: 1.4580089744328462
Energy: 1.5372574081626293
Energy: 1.4571803234016718
Energy: 1.5044420964229115
Energy: 1.583278205375486
Energy: 1.3922291842430992
Energy: 1.507471972066987

minimum gb energy = 1.3005490831061837 eV
minimum distance =  2.31026673722296 Angstroms
sigma value = 39


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

Energy: 1.2815841698135013
Energy: 1.6262424571307417
Energy: 1.746828810932969
Energy: 1.6255517447423964
Energy: 1.4860252439529986
Energy: 1.5148246141461286
Energy: 1.3583695589158615
Energy: 1.3497704819692704
Energy: 1.3665963746110976
Energy: 1.5447207604104136
Energy: 1.3744338743211328
Energy: 1.2948807514596463
Energy: 1.3517846273813128
Energy: 1.5340893388596966
Energy: 1.3542316258391776
Energy: 1.3055987235060542
Energy: 1.4676289359012744
Energy: 1.3776249293023781
Energy: 1.2941752445081516
Energy: 1.3723326846888833
Energy: 1.4403269480487824
Energy: 1.3359562150707818
Energy: 1.4123167526409586
Energy: 1.4624016714000962
Energy: 1.3688850072682677
Energy: 1.4243059642951799
Energy: 1.504218587176878
Energy: 1.5201318236134755
Energy: 1.3751576098851448
Energy: 1.316489032038388
Energy: 1.463855368143447
Energy: 1.3860205572766437
Energy: 1.433402826518113
Energy: 1.4802330666617016
Energy: 1.43674994753562
Energy: 1.2137777915090227
Energy: 1.2964392528409567
Energy: 1.4293079663537822
Energy: 1.3807149156974696
Energy: 1.4382871640135695
Energy: 1.3842765898244243
Energy: 1.536011374131138
Energy: 1.7201132286401983
Energy: 1.4275924912177644
Energy: 1.387736951509729
Energy: 1.6694118397959201
Energy: 1.3734839532321643
Energy: 1.215972904830375
Energy: 1.5303684131403346
Energy: 1.208466688447562
Energy: 1.387025206495332
Energy: 1.8112106321220174
Energy: 1.3843683396980198
Energy: 1.5173063987816475
Energy: 1.5153558121344568
Energy: 1.5342227276875235
Energy: 1.2088079142237185
Energy: 1.4069044926896028
Energy: 1.380696542162516
Energy: 1.3508930973979192
Energy: 1.2943888900600198
Energy: 1.5355575099988734
Energy: 1.5406052997063648
Energy: 1.6940264928119455
Energy: 1.534730093633099
Energy: 1.4623234834373662
Energy: 1.4290532027974423
Energy: 1.364161594877108
Energy: 1.3419062131162554
Energy: 1.5725686514110757
Energy: 1.40438557238226
Energy: 1.3487332978016453
Energy: 1.4627333587215687
Energy: 1.3523760643235514
Energy: 1.317675724172782
Energy: 1.3756931207262661
Energy: 1.4429798663365305
Energy: 1.3721206627405367
Energy: 1.320640034359607
Energy: 1.3480835083084763
Energy: 1.3359375413250199
Energy: 1.374123144800663
Energy: 1.451143756846223
Energy: 1.490300083023398
Energy: 1.221125535375611
Energy: 1.3443265318712194
Energy: 1.422689329077402
Energy: 1.4043199900215197
Energy: 1.4776447396320465
Energy: 1.5176133267409408
Energy: 1.4880781776125571
Energy: 1.445066415321571
Energy: 1.3439208569209318
Energy: 1.426206740280467
Energy: 1.4380969773411252
Energy: 1.3780682012893966
Energy: 1.2165588656160633
Energy: 1.537836625154259
Energy: 1.2029969369704518
Energy: 1.3520690423795787
Energy: 1.4064883266780592
Energy: 1.4383786539873207
Energy: 1.4064322526630946
Energy: 1.2337286820348803
Energy: 1.5339523937576773
Energy: 1.2762335538439615
Energy: 1.5927762586186516
Energy: 1.7481925894287018
Energy: 1.3549646584935127
Energy: 1.4157910933232574
Energy: 1.5148813079939831
Energy: 1.357573125683021
Energy: 1.3504600706350571
Energy: 1.4259357151382022
Energy: 1.5436451064481422
Energy: 1.374264100833891
Energy: 1.294649101855958
Energy: 1.3527438864224821
Energy: 1.5345365354089122
Energy: 1.3522244448234975
Energy: 1.3060482785818852
Energy: 1.46730424406431
Energy: 1.3776167885678412
Energy: 1.294336014810883
Energy: 1.3730398331041993
Energy: 1.4407502685554896
Energy: 1.327471340093725
Energy: 1.3029771949628026
Energy: 1.4612182539741765
Energy: 1.367608973787413
Energy: 1.4247002938075601
Energy: 1.520932949409242
Energy: 1.4771790577328032
Energy: 1.3780943825424226
Energy: 1.3173067736927446
Energy: 1.4639520039206724
Energy: 1.4282657522364561
Energy: 1.3893665348007964
Energy: 1.4780488050609615
Energy: 1.4369778499339865
Energy: 1.2005268047516588
Energy: 1.2986403802082502
Energy: 1.429632903539534
Energy: 1.3833187428583273
Energy: 1.4379052186333543
Energy: 1.204105920074521
Energy: 1.5349747684101063
Energy: 1.7200120481235155
Energy: 1.4211831007717668
Energy: 1.3874104071807227
Energy: 1.7131011028338392
Energy: 1.3735123584052855
Energy: 1.2160318580045915
Energy: 1.5288718016147116
Energy: 1.208652926885434
Energy: 1.386571015329246
Energy: 1.8644969673877052
Energy: 1.3845005493789686
Energy: 1.5167846199519879
Energy: 1.5160296384609895
Energy: 1.5332286925365173
Energy: 1.2084672241380858
Energy: 1.407116297485669
Energy: 1.3854879054493934
Energy: 1.3441691024971816
Energy: 1.2967666270519678
Energy: 1.5364541878035392
Energy: 1.5398167740422246
Energy: 1.693777987227973
Energy: 1.5332311663598346
Energy: 1.4332884998476365
Energy: 1.4285608313839537
Energy: 1.2963129052991682
Energy: 1.3139429338958815
Energy: 1.5728404106632903
Energy: 1.4034851368461363
Energy: 1.3615778229777435
Energy: 1.4626685254110394
Energy: 1.3525117923578085
Energy: 1.318650529374669
Energy: 1.400198406538467
Energy: 1.4424118873304963
Energy: 1.3718811700518505
Energy: 1.319827629087686
Energy: 1.3481391603240633
Energy: 1.3234912754863453
Energy: 1.3853105258610587
Energy: 1.4511958594018812
Energy: 1.4904418391000183
Energy: 1.2220036841536877
Energy: 1.3452219452959793
Energy: 1.572294041443773
Energy: 1.388827911226286
Energy: 1.4822755482900243
Energy: 1.5154829454756922
Energy: 1.5022559244829963
Energy: 1.4387945443431773
Energy: 1.3035934763565278
Energy: 1.4257468547743444
Energy: 1.4418430040304488
Energy: 1.3769506417228048
Energy: 1.2160614815817543
Energy: 1.5380495897994353
Energy: 1.2037760921875231
Energy: 1.3523926655979464
Energy: 1.4066308756037735
Energy: 1.4082644512056364
Energy: 1.403994849379355
Energy: 1.2342207530578215
Energy: 1.5349099492343583

minimum gb energy = 1.2005268047516588 eV
minimum distance =  2.31316207568296 Angstroms
sigma value = 21


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

Energy: 1.8070315665671461
Energy: 1.6421095680085258
Energy: 1.7468121618887271
Energy: 1.3772033951079237
Energy: 1.3512939851205037
Energy: 1.5364213345639612
Energy: 1.6003312352206644
Energy: 1.4198448769762533
Energy: 1.5826253135586539
Energy: 1.5907690394764376
Energy: 1.6344505691601192
Energy: 1.5919067891889869
Energy: 1.5205631406189977
Energy: 1.5425892022455039
Energy: 1.3076092799634507
Energy: 1.3849901947147005
Energy: 1.364182321843304
Energy: 1.6981996072566345
Energy: 1.521132784175515
Energy: 1.3102355912063481
Energy: 1.5744841444007736
Energy: 1.5190426905181913
Energy: 1.5617372200021544
Energy: 1.5145402332501252
Energy: 1.3554606615794675
Energy: 1.3579886329530646
Energy: 1.4088815213152432
Energy: 1.3750976676204871
Energy: 1.324636358943546
Energy: 1.5600155721706972
Energy: 1.4037816934938814
Energy: 1.3334376633603682
Energy: 1.3782139918453875
Energy: 1.3936224570056952
Energy: 1.3985021700856095
Energy: 1.2583973741648449
Energy: 1.4190085153770848
Energy: 1.3701404971986226
Energy: 1.3570887887355607
Energy: 1.3560507244211597
Energy: 1.366710048503723
Energy: 1.3849379989392847
Energy: 1.335934218352368
Energy: 1.3390901703983435
Energy: 1.5026677268779456
Energy: 1.422162224644308
Energy: 1.3560195269081134
Energy: 1.2614797603594003
Energy: 1.3940095746677548
Energy: 1.3081542039556193
Energy: 1.3617480978014065
Energy: 1.36454062963937
Energy: 1.4825789706171026
Energy: 1.5499506656788005
Energy: 1.3078374869689835
Energy: 1.371833544838607
Energy: 1.3560041395586806
Energy: 1.4238634824425416
Energy: 1.442362098669722
Energy: 1.6092266567699378
Energy: 1.5365985770747452
Energy: 1.4229897718819822
Energy: 1.4303935599781763
Energy: 1.332356619301984
Energy: 1.5145061966671027
Energy: 1.4646094355463481
Energy: 1.385365965735613
Energy: 1.353678433445431
Energy: 1.5296367560202933
Energy: 1.604046440422413
Energy: 1.351466676111431
Energy: 1.5047357180102416
Energy: 1.4013025312458298
Energy: 1.426847334378986
Energy: 1.3490365064969043
Energy: 1.4483604696557928
Energy: 1.547072332718081
Energy: 1.4869476201613776
Energy: 1.430485679542244
Energy: 1.682088224182057
Energy: 1.983514098958255
Energy: 1.3460038237624485
Energy: 1.6138012455661597
Energy: 1.5972035849094055
Energy: 1.261509346645373
Energy: 1.5962939801670872
Energy: 1.5541252785998496
Energy: 1.5613969767602147
Energy: 1.5928043959285216
Energy: 1.5468551241713575
Energy: 1.3464001574128608
Energy: 1.2615344162077236
Energy: 1.555394364684758
Energy: 1.3514449800393629
Energy: 1.4993210682346452
Energy: 1.5291878914149128
Energy: 1.4001463182114164
Energy: 1.4476083611006874
Energy: 1.412081748680754
Energy: 1.3571680901742553
Energy: 1.3820821716130143
Energy: 1.7000641492951456
Energy: 1.6079249021169668
Energy: 1.3893136224462463
Energy: 1.620229031676493
Energy: 1.5513610684520953
Energy: 1.6114544952568528
Energy: 1.4307048914250997
Energy: 1.4864817874546399
Energy: 1.5905602318199275
Energy: 1.4531905343634193
Energy: 1.574133822143115
Energy: 1.3349000402413205
Energy: 1.5153598613375374
Energy: 1.3531131100271212
Energy: 1.3537695318782503
Energy: 1.3480235651135144
Energy: 1.3362044240239819
Energy: 1.4147921861400141
Energy: 1.2550236720759436
Energy: 1.3232365343263515
Energy: 1.5058343682918696
Energy: 1.5221682429455126
Energy: 1.331914905226744
Energy: 1.3598245962469246
Energy: 1.3749316125773992
Energy: 1.259696981551535
Energy: 1.381999129110518
Energy: 1.41473107579213
Energy: 1.4111984725187603
Energy: 1.3865446616506092
Energy: 1.2776857414889171
Energy: 1.3688715160099336
Energy: 1.273184154801403
Energy: 1.4044495056027153
Energy: 1.3979402133976042
Energy: 1.4790625925815553
Energy: 1.456624691304
Energy: 1.3091968371682021
Energy: 1.3992686703346877
Energy: 1.472729098362133
Energy: 1.369441143206951
Energy: 1.458754894270139
Energy: 1.5923771698964708
Energy: 1.565349959871462
Energy: 1.4439452159965884
Energy: 1.3999587489831602
Energy: 1.339337697250746
Energy: 1.5450116211165115
Energy: 1.5564551697425846
Energy: 1.4950138980471155
Energy: 1.4199767329702886
Energy: 1.4743146456164706
Energy: 1.4020372614158934
Energy: 1.3449913424837625
Energy: 1.69127787181976
Energy: 1.8313232922850151
Energy: 1.6359397262613034
Energy: 1.4628043381665121
Energy: 1.4249480679303408
Energy: 1.392563262084694
Energy: 1.4140948964726086
Energy: 1.3320258371502334
Energy: 1.583079233381542
Energy: 1.5307595670941447
Energy: 1.3470541595721777
Energy: 1.5182760982876382
Energy: 1.5491120022850502
Energy: 1.2617660177301595
Energy: 1.6113133423646406
Energy: 1.5409369900328582
Energy: 1.65820156025629
Energy: 1.460372523184284
Energy: 1.631089877091436
Energy: 1.447912117390826

minimum gb energy = 1.2550236720759436 eV
minimum distance =  2.34106419711708 Angstroms
sigma value = 113


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

Energy: 1.7531797532522113
Energy: 1.9167946835590508
Energy: 1.817050699576277
Energy: 1.8438333344359057
Energy: 1.6921700730247573
Energy: 1.722356849994328
Energy: 1.8916093865794006
Energy: 1.7268140190610077
Energy: 1.7755888883447
Energy: 1.6497091676597258
Energy: 1.7917839106599986
Energy: 1.7614950935470837
Energy: 1.6201352667289428
Energy: 1.8055440658900028
Energy: 1.6448820384687177
Energy: 1.6925354973393065
Energy: 1.707727140967862
Energy: 1.7632621245079698
Energy: 1.697921615532061
Energy: 1.626431151632891
Energy: 1.7773719827435268
Energy: 1.7628725740085414
Energy: 1.7820046602015402
Energy: 1.4572595148838716
Energy: 1.6205664718134938
Energy: 1.6701793681348642
Energy: 1.7108707964168608
Energy: 1.7838419875777116
Energy: 1.3717824295300045
Energy: 1.7065412253392145
Energy: 1.652680018770604
Energy: 1.7249076375596177
Energy: 1.5147244623138298
Energy: 1.600806781879247
Energy: 1.630964127977028
Energy: 1.5215707124730977
Energy: 1.566061097917005
Energy: 1.708451135350537
Energy: 1.523500679954289
Energy: 1.4099875516892484
Energy: 1.48776825102965
Energy: 1.6178016535998165
Energy: 1.5891112762018402
Energy: 1.5153598468802087
Energy: 1.4745541288857862
Energy: 1.5423088667167895
Energy: 1.587602800006372
Energy: 1.6148787082943044
Energy: 1.5970189761912583
Energy: 1.5047677836939723
Energy: 1.4531709289889962
Energy: 1.6126197889170257
Energy: 1.732146022057459
Energy: 1.6270704737415294
Energy: 1.5968891771131315
Energy: 1.4942287735560322
Energy: 1.3180279709348155
Energy: 1.540524793475943
Energy: 1.7268998172862724
Energy: 1.492317407113105
Energy: 1.4938088023644813
Energy: 1.810179401629156
Energy: 1.5139839939193906
Energy: 1.647452078345576
Energy: 1.697728757890157
Energy: 1.5453227447507911
Energy: 1.375737891104264
Energy: 1.341192127323292
Energy: 1.655783703593633
Energy: 1.522189130460557
Energy: 1.6034001764344612
Energy: 1.4182529759259017
Energy: 1.4613601950616313
Energy: 1.438910195584862
Energy: 1.4402467768468454
Energy: 1.401891095972795
Energy: 1.5574456883381127
Energy: 1.3281984887607985
Energy: 1.3871627069938788
Energy: 1.5042025357083115
Energy: 1.5811810259360268
Energy: 1.5899734494706321
Energy: 1.7008232933982108
Energy: 1.3826821029945113
Energy: 1.7079201679940084
Energy: 1.3876957124133444
Energy: 1.5436736072523802
Energy: 1.637544549361266
Energy: 1.5826187260213707
Energy: 1.5598913749881358
Energy: 1.4093083522217016
Energy: 1.6577721731296826
Energy: 1.5963315622248861
Energy: 1.704156075022163
Energy: 1.5002895804788292
Energy: 1.4814749169421424
Energy: 1.673617349146921
Energy: 1.503425440242008
Energy: 1.402487601817586
Energy: 1.6872277480629796
Energy: 1.5052456647298884
Energy: 1.4600665450263437
Energy: 1.5327927860949948
Energy: 1.6865308172866176
Energy: 1.5718215974412093
Energy: 1.6305184634326217
Energy: 1.5787872126288705
Energy: 1.5512492206148694
Energy: 1.6101859478163516
Energy: 1.5830707218723234
Energy: 1.612373310112131
Energy: 1.6003374745976289
Energy: 1.5492868402121058
Energy: 1.845336676221679
Energy: 1.6155212054615158
Energy: 1.6300519805788707
Energy: 1.6339400985842052
Energy: 1.7233004377149228
Energy: 1.6232791397113373
Energy: 1.6208396276488237
Energy: 1.609679083667237
Energy: 1.5867789879314569
Energy: 1.6622477528209498
Energy: 1.5535476889471793
Energy: 1.4934099608873128
Energy: 1.6329134049437593
Energy: 1.6217084772367336
Energy: 1.6816202460334837
Energy: 1.7164076081746
Energy: 1.7792718717750604
Energy: 1.7572666624384534
Energy: 1.6229996355080671
Energy: 1.7785196453310805
Energy: 1.7220973130569874
Energy: 1.8253427270997211
Energy: 1.6494151801214791
Energy: 1.5895002554026079
Energy: 1.6651620119320316
Energy: 1.6828477023974544
Energy: 1.8930282873909023
Energy: 1.792208340824126
Energy: 1.6917124694021424
Energy: 1.6837919740646732
Energy: 1.7042815262187516
Energy: 1.7182138175919324
Energy: 1.6120939725842887
Energy: 1.7912122687522383
Energy: 1.7391532264563496
Energy: 1.7445046488237612
Energy: 1.6913539752162932
Energy: 1.7791812733223376
Energy: 1.704969690418484
Energy: 1.6110610252899105
Energy: 1.749844553324359
Energy: 1.5846860965532636
Energy: 1.8384206256234272
Energy: 1.8435828735679196
Energy: 1.6661815657305423
Energy: 1.6648107079614487
Energy: 1.7170010779510883
Energy: 1.8866753588699032
Energy: 1.7491208446762898
Energy: 1.7855804261510335
Energy: 1.6292183353062903
Energy: 1.7936070906553878
Energy: 1.7814892097392387
Energy: 1.5978062529477288
Energy: 1.8053513614420098
Energy: 1.4770256576363807
Energy: 1.6793204322897095
Energy: 1.6931256879581449
Energy: 1.7641699419437762
Energy: 1.649078932743491
Energy: 1.6278342357836708
Energy: 1.7560804802434695
Energy: 1.6701633222417527
Energy: 1.7801615945751639
Energy: 1.460115727414752
Energy: 1.7482881891101019
Energy: 1.6702715110980673
Energy: 1.7395603120695557
Energy: 1.781668107822706
Energy: 1.6928842715275054
Energy: 1.7370421871882578
Energy: 1.6501248482910276
Energy: 1.705486306811682
Energy: 1.5660674837810977
Energy: 1.6906648678671594
Energy: 1.6378573538033692
Energy: 1.5097778383801492
Energy: 1.561685057951726
Energy: 1.698480708535632
Energy: 1.6126864047612675
Energy: 1.477102924782443
Energy: 1.4822782594310886
Energy: 1.6760581227544542
Energy: 1.5517290297496007
Energy: 1.575749862089848
Energy: 1.7514507733312872
Energy: 1.6163707712691957
Energy: 1.5833106977303144
Energy: 1.6255598693023567
Energy: 1.6034641775494833
Energy: 1.6306397322070965
Energy: 1.4446781074704502
Energy: 1.5002731546566794
Energy: 1.7161200220294683
Energy: 1.6255894611380308
Energy: 1.526648628948437
Energy: 1.469712089929063
Energy: 1.3206539020633308
Energy: 1.4349043383202171
Energy: 1.7488353081766879
Energy: 1.49617730143463
Energy: 1.4906185035840689
Energy: 1.8231812980451292
Energy: 1.5063237350052932
Energy: 1.498450536573081
Energy: 1.5962868783469482
Energy: 1.5055011426869729
Energy: 1.391908253530867
Energy: 1.3994265204740635
Energy: 1.6210909078566595
Energy: 1.5227738951076295
Energy: 1.60679640998292
Energy: 1.423054445518006
Energy: 1.4541993052915478
Energy: 1.4482382260985602
Energy: 1.3471811946608205
Energy: 1.3758344912419112
Energy: 1.5748257025473562
Energy: 1.3246904338443282
Energy: 1.3079549009660556
Energy: 1.8372764225033704
Energy: 1.5780432075840696
Energy: 1.562271189590309
Energy: 1.7313293149528561
Energy: 1.4465851887411014
Energy: 1.4456199251594006
Energy: 1.384887900990394
Energy: 1.5453502849574259
Energy: 1.621903847877755
Energy: 1.65066401165293
Energy: 1.5854640419376864
Energy: 1.4134550994534183
Energy: 1.6205023085093386
Energy: 1.5868717982386527
Energy: 1.8084655483571979
Energy: 1.4949987212121416
Energy: 1.4736508919268285
Energy: 1.671521403781898
Energy: 1.5040641986255952
Energy: 1.417464688125522
Energy: 1.6338454221150873
Energy: 1.6989051251441625
Energy: 1.4604295727117083
Energy: 1.3920639595931787
Energy: 1.6033746839995844
Energy: 1.5194451266584812
Energy: 1.6304192048596133
Energy: 1.584666961846002
Energy: 1.5088721156868896
Energy: 1.582885986333965
Energy: 1.594150663780851
Energy: 1.5813264971682246
Energy: 1.5974658517024054
Energy: 1.6254356912743826
Energy: 1.535094509079079
Energy: 1.5991792010641417
Energy: 1.6322642363360331
Energy: 1.6319525344093502
Energy: 1.6319348984911006
Energy: 1.6291462882395422
Energy: 1.632745927419905
Energy: 1.6157563001776074
Energy: 1.5834335550535656
Energy: 1.613488199279742
Energy: 1.6472715407940124
Energy: 1.593786399032268
Energy: 1.613566551685328
Energy: 1.7022204043727405
Energy: 1.7456870454563738
Energy: 1.7737173841129208
Energy: 1.758666543569536
Energy: 1.755909517797561
Energy: 1.6929001601938312
Energy: 1.637333996257447
Energy: 1.699083803333184
Energy: 1.815685766605079
Energy: 1.6588981794314146
Energy: 1.8208934588375776
Energy: 1.674467691864945
Energy: 1.7271133886757795
Energy: 1.8915894338569512
Energy: 1.6364752112465688
Energy: 1.701117171885119
Energy: 1.6982993362021235
Energy: 1.7809376735036293
Energy: 1.7155888868351161
Energy: 1.612376627205426
Energy: 1.805948697293218
Energy: 1.7846885152599787
Energy: 1.7467104689414166
Energy: 1.694553259529965
Energy: 1.7121375681864068
Energy: 1.7749950219938604
Energy: 1.6129368327657538
Energy: 1.7462752970661608
Energy: 1.6336127859951488
Energy: 1.839935542775718
Energy: 1.851893428137512
Energy: 1.6862081059549523
Energy: 1.7186636974523284
Energy: 1.6990181059918144
Energy: 1.9099986199249035

minimum gb energy = 1.3079549009660556 eV
minimum distance =  2.29135982613872 Angstroms
sigma value = 365


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

Energy: 1.5471244125833412
Energy: 1.806237194921351
Energy: 1.4764534414996406
Energy: 1.4613022300279719
Energy: 1.4613320665612954
Energy: 1.4767791290210204
Energy: 1.4600328861165244
Energy: 1.5388534918928916
Energy: 1.7884987796129788
Energy: 1.4382389017369073
Energy: 1.4842000481841755
Energy: 1.492176050017588
Energy: 1.4839742425143072
Energy: 1.7583814748957434
Energy: 1.5434385549939935
Energy: 1.7856201357528498
Energy: 1.4905975534799827
Energy: 1.4956686522970446
Energy: 1.495741441593178
Energy: 1.4874989449749072
Energy: 1.462494707888101
Energy: 1.542180047370881
Energy: 1.7864271618122092
Energy: 1.4871418949131983
Energy: 1.494127322274213
Energy: 1.4932659218953863
Energy: 1.4845132078301488
Energy: 1.4632890576038098
Energy: 1.5060963327804715
Energy: 1.829516101644099
Energy: 1.4817879704754788
Energy: 1.8265749333114338
Energy: 1.4844562829045846
Energy: 1.48230558530209
Energy: 1.7563673753205467
Energy: 1.5431079687727014
Energy: 1.8238064685851363
Energy: 1.4835516983011405
Energy: 1.461029629622809
Energy: 1.4632940530405718
Energy: 1.47720440723311
Energy: 1.4599415272330658
Energy: 1.5447622941606145
Energy: 1.7571252062442355
Energy: 1.4911863673517372
Energy: 1.499930303451554
Energy: 1.4996723402416683
Energy: 1.4838793421277692
Energy: 1.7573758932070975
Energy: 1.5433201072249465
Energy: 1.7866446688697315
Energy: 1.4917336263257739
Energy: 1.498434854715648
Energy: 1.4982666785083258
Energy: 1.4848887629450445
Energy: 1.7529155640852274
Energy: 1.5412253993622347
Energy: 1.7872420245774479
Energy: 1.48481117924141
Energy: 1.4631737623269114
Energy: 1.4925555017829135
Energy: 1.482642983804094
Energy: 1.460828700660135
Energy: 1.5064113152099556
Energy: 1.8095089773146333
Energy: 1.5444602261562448
Energy: 1.7879152257830457
Energy: 1.8363603095367558
Energy: 1.5435900044330333
Energy: 1.7681131950179134
Energy: 1.5411660784666443
Energy: 1.7870527273872796
Energy: 1.4863902082764957
Energy: 1.493732836311157
Energy: 1.4930057099247005
Energy: 1.4837987329674547
Energy: 1.4615041459447042
Energy: 1.5430954323052628
Energy: 1.7859302568439315
Energy: 1.4918202312035895
Energy: 1.497700576385309
Energy: 1.4971179210706393
Energy: 1.4894025514356375
Energy: 1.7530716861865572
Energy: 1.5384352004865678
Energy: 1.7572751476294552
Energy: 1.4921186287163908
Energy: 1.4925878688415273
Energy: 1.4920685223734962
Energy: 1.4838336002185644
Energy: 1.7575522474112462
Energy: 1.5473208825757114
Energy: 1.8121516290466302
Energy: 1.482577578467229
Energy: 1.4610037438129517
Energy: 1.4604571794475634
Energy: 1.4768825834332004
Energy: 1.4598427669473861
Energy: 1.5061670767931261
Energy: 1.8234933374854505
Energy: 1.4881574952785537
Energy: 1.4841156496949905
Energy: 1.4924421975520759
Energy: 1.484115878514512
Energy: 1.7565981381028273
Energy: 1.5429097010927528
Energy: 1.785870457120557
Energy: 1.4887319421777576
Energy: 1.4944165941463623
Energy: 1.4942311352573328
Energy: 1.4850165513170832
Energy: 1.4646389966859172
Energy: 1.542600638127188
Energy: 1.7857639912376295
Energy: 1.489085000001741
Energy: 1.4952033137712784
Energy: 1.4944686171917825
Energy: 1.4862374330823669
Energy: 1.4623157100666604
Energy: 1.505988316790234
Energy: 1.8232706912076946
Energy: 1.4431234584100254
Energy: 1.4927839147063917
Energy: 1.4840095279044672
Energy: 1.4846523583567066
Energy: 1.7201101031390889
Energy: 1.547208990119156
Energy: 1.8252525254182899
Energy: 1.4778883108771512
Energy: 1.4597357974562744
Energy: 1.4590727135540484
Energy: 1.4758228293479572
Energy: 1.4596951326789571
Energy: 1.5387481454864442
Energy: 1.7575885010356957
Energy: 1.438874099086294
Energy: 1.49255474511793
Energy: 1.492031702745207
Energy: 1.4839651110682592
Energy: 1.7583500752633165

minimum gb energy = 1.4382389017369073 eV
minimum distance =  2.34477175257297 Angstroms
sigma value = 23