Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338510564498
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=[0.0, 0.0, 8.79692704840674e-21, 1.2913127104115159e-19, 2.7123889107639595e-19, 3.75024689073648e-19, 4.34827534114332e-19, 4.61165715800658e-19, 4.81660759302786e-19, 5.041969758366299e-19, 5.28620556445326e-19, 5.538532362541919e-19, 5.78640510958806e-19, 6.018240068527859e-19, 6.22528935493968e-19, 6.40202545943622e-19, 6.545900921169419e-19, 6.6565632612797995e-19, 6.73527819930822e-19, 6.784577174336401e-19, 6.81713340353928e-19, 6.8397721593777e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837673307987159e-19, 6.810420283442819e-19, 6.768699603893459e-19, 6.709883699659319e-19, 6.630752195706059e-19, 6.52747588987842e-19, 6.39537642640512e-19, 6.228782100001799e-19, 6.02069139877788e-19, 5.762452568909759e-19, 5.443331026949639e-19, 5.04983644563924e-19, 4.5648415567611e-19, 3.9664446057284396e-19, 3.2263671749511596e-19, 2.30758296241752e-19, 1.1132788428414358e-19, -7.192395214754759e-20, -3.2424850718892e-19, -6.389896982316839e-19, -1.0174077974161438e-18, -1.473178984490124e-18, -2.04905574075528e-18, -2.9438073037789197e-18, -4.393168330428e-18, -6.4144903936487395e-18, -9.263913471918719e-18, -1.40696743291344e-17, -2.3812991093478598e-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: 0.016149738195816735
Energy: 1.444979981979546
Energy: 1.3871565574290265
Energy: 0.01691829210170092
Energy: 0.01648121129928786
Energy: 1.5832845841040124
Energy: 0.016318703399817225
Energy: 0.17563707982111137
Energy: 0.3433417978755499
Energy: 0.4662327249488453
Energy: 0.17528976801271431
Energy: 0.46698388513107575
Energy: 0.3468682756400484
Energy: 0.17595927247021484
Energy: 0.17577803512511847
Energy: 0.20579546098725537
Energy: 0.34786415940435195
Energy: 0.17513906418968825
Energy: 0.17541814807557224
Energy: 0.3461354895697952
Energy: 0.17544349104257267
Energy: 0.17587043576574163
Energy: 0.46681149612286477
Energy: 0.3484315809531445
Energy: 0.1755888513842379
Energy: 0.17522661860554792
Energy: 0.34769841735053625
Energy: 0.17551976668426145
Energy: 0.17513455614752504
Energy: 0.20590914315670705
Energy: 0.3476902045151901
Energy: 0.176497410795718
Energy: 0.17617606077366432
Energy: 0.3501964584883714
Energy: 0.1758999142984801
Energy: 0.016598295128282405
Energy: 0.20585097926784568
Energy: 0.4662771095707795
Energy: 0.01742616543271432
Energy: 0.017692771523085498
Energy: 0.3462535005028729
Energy: 0.1750823315979811

minimum gb energy = 0.016149738195816735 eV
minimum distance =  2.44713576244763 Angstroms
sigma value = 5


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

Energy: 2.5174790141372303
Energy: 2.03190295524784
Energy: 1.9506685355189208
Energy: 1.5614814084975859
Energy: 2.29930657941932
Energy: 1.8393454363877673
Energy: 2.139060954211923
Energy: 1.5112039340901697
Energy: 1.5066580430487275
Energy: 1.6736574962530377
Energy: 1.5780783461825576
Energy: 1.4967554380746966
Energy: 1.6677288989750894
Energy: 1.5109985369990961
Energy: 1.4304378401907967
Energy: 1.4570773460681596
Energy: 1.4752923729857685
Energy: 1.4367084247413804
Energy: 1.4459931013919989
Energy: 1.4802367383046613
Energy: 1.4509020132764858
Energy: 1.4489713423065267
Energy: 1.4940492582147706
Energy: 1.475927661359068
Energy: 1.4541751646308188
Energy: 1.4362848655592995
Energy: 1.4757347090998612
Energy: 1.4691616768761127
Energy: 1.4766867402027302
Energy: 1.4247058049859922
Energy: 1.4936141958122882
Energy: 1.4294622972424864
Energy: 1.4400228308658927
Energy: 1.521282527100799
Energy: 1.47536587854346
Energy: 1.435834627714463
Energy: 1.447810867939701
Energy: 1.4141175293318835
Energy: 1.4157870783196256
Energy: 1.4344262495900895
Energy: 1.4156933547680328
Energy: 1.4751787022246687
Energy: 1.3863380104436653
Energy: 1.405115524608454
Energy: 1.3975804460210413
Energy: 1.402371670281606
Energy: 1.4342848290341426
Energy: 1.4034377687235926
Energy: 1.4069134981876297
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Energy: 1.4536644473750227
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Energy: 1.3643694722841118
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Energy: 1.3941691438127866
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Energy: 1.5716851606640156
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Energy: 1.5288824828979184
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Energy: 1.623058080843855
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Energy: 1.6003649593986766
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Energy: 1.5167595786983825
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Energy: 1.6062165609356782
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Energy: 1.4714333433474212
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Energy: 1.589866745513982
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Energy: 1.583773973117526
Energy: 1.6469786407400235
Energy: 1.7520188092542974
Energy: 1.6239697958492367
Energy: 1.5792456086225646
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Energy: 1.656881362548507
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Energy: 1.6131541251031285
Energy: 1.4150186717294417
Energy: 1.490011266900817
Energy: 1.4112051204595168
Energy: 1.533332220065557
Energy: 1.4682414165642244
Energy: 1.4184150617998346
Energy: 1.5097045613880422
Energy: 1.3697838084992389
Energy: 1.397679116476618
Energy: 1.3884856656647024
Energy: 1.4268174855580296
Energy: 1.401246580360015
Energy: 1.3933462144855235
Energy: 1.438980496100327
Energy: 1.3312618400493803
Energy: 1.3839214315152173
Energy: 1.384600226279295
Energy: 1.392414081053641
Energy: 1.3524132907074211
Energy: 1.3755136820875111
Energy: 1.4195296657599727
Energy: 1.5268841308959098
Energy: 1.5548264103061789
Energy: 1.5531344518759465
Energy: 1.4883080971749585
Energy: 1.5151329071587518
Energy: 1.5310912071119351
Energy: 1.5210225248436733
Energy: 1.5284563705186534
Energy: 1.5352312084488433
Energy: 1.5516122568124495
Energy: 1.4166931828525104
Energy: 1.5123572003611803
Energy: 1.500259955331
Energy: 1.4002116971105234
Energy: 1.4113670095470605
Energy: 1.484724911472682
Energy: 1.5474131503888975
Energy: 1.3860991887882335
Energy: 1.4843305988495117
Energy: 1.5275855708211357
Energy: 1.3758761174926408
Energy: 1.4843543064833244
Energy: 1.4947130883242035
Energy: 1.701077057616488
Energy: 1.4805938394903484
Energy: 1.5127985035151974
Energy: 1.57245570347142
Energy: 1.458510664956722
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Energy: 1.5953957479299528
Energy: 1.650030520080482
Energy: 1.4987984996997505
Energy: 1.5984441214019756
Energy: 1.744972987808937
Energy: 1.66697450452448

minimum gb energy = 1.311803119709652 eV
minimum distance =  2.24393930430322 Angstroms
sigma value = 401


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

Energy: 2.092831135238304
Energy: 2.0156765116567765
Energy: 2.0141248252225874
Energy: 1.658010104699379
Energy: 1.6549406054277742
Energy: 2.107402915542765
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Energy: 1.506542722869463
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Energy: 1.523570710362631
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Energy: 1.4610629604847507
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Energy: 1.842478118721873
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Energy: 1.3958763589473488
Energy: 1.8038776387470479
Energy: 1.5181437511145988
Energy: 1.4258859089068705
Energy: 1.3845870037898438
Energy: 1.5524174737037553
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Energy: 1.4623633471779884
Energy: 1.4567269472910862
Energy: 1.4741328570917802
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Energy: 1.5290543594604544
Energy: 1.4731616827188536
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Energy: 1.4996760676049905
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Energy: 1.5527712074400726
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Energy: 1.504497040289626
Energy: 1.5309839290298255
Energy: 1.5047374835071605
Energy: 1.5034444468913017
Energy: 1.4341320908301602
Energy: 1.5426049828198733
Energy: 1.5505612183340278
Energy: 1.4154917124265027
Energy: 1.4697588086438793
Energy: 1.4957857460413853
Energy: 1.4930506205054166
Energy: 1.537820258824964
Energy: 1.5374526954157497
Energy: 1.5461054069670437
Energy: 1.5289988001825237
Energy: 1.5219539408587817
Energy: 1.6141069068635538
Energy: 1.5673045376497652
Energy: 1.548759707764909
Energy: 1.6232845088685097
Energy: 1.5141857498145948
Energy: 1.5738096327571958
Energy: 1.6324181709130305
Energy: 1.6594647546038812
Energy: 1.6964747574511867
Energy: 1.663490426431768
Energy: 1.8971543554022854
Energy: 2.226136323975039
Energy: 1.8052410779881372
Energy: 1.5276971211593615
Energy: 1.633823367739716
Energy: 1.575812986842716
Energy: 1.576357767243888
Energy: 1.6384322531125068
Energy: 1.522942239764481
Energy: 1.5526916244876636
Energy: 1.647983678072742
Energy: 1.5678177067310997
Energy: 1.5380411688996654
Energy: 1.5870135061031325
Energy: 1.571958257262627
Energy: 1.5974977748038064
Energy: 1.577595404590518
Energy: 1.5898189359783297
Energy: 1.7829558117669204
Energy: 1.6602934741383075
Energy: 1.4941739833747183
Energy: 1.6342792790326472
Energy: 1.7515216649216865
Energy: 1.476197277809071
Energy: 1.5587038033641332
Energy: 1.7757493203635295
Energy: 1.5264627352993236
Energy: 1.4833799037522477
Energy: 1.5575424775607627
Energy: 1.547665039874317
Energy: 1.5398424968672715
Energy: 1.598170975832943
Energy: 1.3918090520869628
Energy: 1.3324491156088578
Energy: 1.4301325766685626
Energy: 1.435816844416919
Energy: 1.3382935089227757
Energy: 1.4145255459242916
Energy: 1.4281513998901965
Energy: 1.3925733861771745
Energy: 1.3840352590760139
Energy: 1.4130628003473904
Energy: 1.387001891430141
Energy: 1.3600479197613096
Energy: 1.3754470194570427
Energy: 1.442024823485558
Energy: 1.3744245126235077
Energy: 1.3409750861815184
Energy: 1.4438062480295417
Energy: 1.3791778734546996
Energy: 1.3834241195473225
Energy: 1.435893168223561
Energy: 1.4663091636336292
Energy: 1.557970417224545
Energy: 1.6104562222101018
Energy: 1.7695281388526027
Energy: 1.445132263617204
Energy: 1.562075258313558
Energy: 1.7141652198634765
Energy: 1.4588098578864488
Energy: 1.5823126296416326
Energy: 1.5692464502414096
Energy: 1.7999118490190604
Energy: 1.3841648484871054
Energy: 1.53019871618506
Energy: 1.7599276575838902
Energy: 1.5847666166350984
Energy: 1.5241180096668057
Energy: 1.5450591074340925
Energy: 1.732825135226344
Energy: 1.4410210234002931
Energy: 1.4406016935889936
Energy: 1.775468846183184
Energy: 1.5682997342791256
Energy: 1.3510527896630067
Energy: 1.4920997064900183
Energy: 1.7921916952872983
Energy: 1.3917238774361602
Energy: 1.3961834091408019
Energy: 1.7559053413022228
Energy: 1.4686605948267304

minimum gb energy = 1.3079887046133627 eV
minimum distance =  2.27292490695663 Angstroms
sigma value = 311


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

Energy: 1.7648565152980356
Energy: 1.9969988613030039
Energy: 1.8189386435402621
Energy: 1.7995154463716838
Energy: 1.753022073901615
Energy: 1.9877783118040888
Energy: 1.8049090483950263
Energy: 1.7016340451160201
Energy: 1.651579771372729
Energy: 1.472873072648229
Energy: 1.5233529896475433
Energy: 1.5123436003447972
Energy: 1.499360555278735
Energy: 1.4634958152411783
Energy: 1.5523444602170335
Energy: 1.5812820104914083
Energy: 1.486476062328171
Energy: 1.509956833126173
Energy: 1.5164026561154678
Energy: 1.461193260657833
Energy: 1.4946063007239538
Energy: 1.6560625674448142
Energy: 1.596405705826667
Energy: 1.5707778598874107
Energy: 1.5468049030807423
Energy: 1.5986338588985147
Energy: 1.6328696012268336
Energy: 1.5670423698791203
Energy: 1.5277016569745134
Energy: 1.4811692652287871
Energy: 1.4477746538993692
Energy: 1.4458702313425
Energy: 1.537809502246917
Energy: 1.4622415647853788
Energy: 1.4590204157797697
Energy: 1.5769125898332848
Energy: 1.5898115972350628
Energy: 1.5779246027938554
Energy: 1.610694517959823
Energy: 1.6159084099425953
Energy: 1.5835467721221885
Energy: 1.5927863881817774
Energy: 1.6053100142289056
Energy: 1.5646011070600283
Energy: 1.6147371556073264
Energy: 1.6164904666683526
Energy: 1.573247814098534
Energy: 1.580535468401257
Energy: 1.6003065742486384
Energy: 1.6448676745788786
Energy: 1.6097656551514765
Energy: 1.6589768164222822
Energy: 1.6597620622579932
Energy: 1.6194571010400716
Energy: 1.5931427145535018
Energy: 1.6895099090532517
Energy: 1.6287431463827808
Energy: 1.6101723866889304
Energy: 1.6539427623507463
Energy: 1.6513709877402007
Energy: 1.65264249915704
Energy: 1.6108622515204718
Energy: 1.6623857503193387
Energy: 1.5741582939390728
Energy: 1.585279248821883
Energy: 1.562813739480401
Energy: 1.662286783043363
Energy: 1.636071111271719
Energy: 1.6767486899704478
Energy: 1.6078832818954218
Energy: 1.5991188925055007
Energy: 1.592381215112018
Energy: 1.5868985757147511
Energy: 1.6356293173921237
Energy: 1.594974613135766
Energy: 1.5813872341561077
Energy: 1.6357293709283385
Energy: 1.681831351664951
Energy: 1.6176103072955028
Energy: 1.6285374339750278
Energy: 1.6483445089982327
Energy: 1.6227685217609686
Energy: 1.611557369024431
Energy: 1.6575720559744274
Energy: 1.6612603793245724
Energy: 1.6484338970001111
Energy: 1.6471019927988224
Energy: 1.6488641760931084
Energy: 1.6568744617078723
Energy: 1.6405796874891605
Energy: 1.6476344541428711
Energy: 1.4846401025133
Energy: 1.4662672671931185
Energy: 1.5049900721312819
Energy: 1.4882631658913814
Energy: 1.4457360781574093
Energy: 1.4763168076830417
Energy: 1.4647902727516928
Energy: 1.419540719043912
Energy: 1.5226923323242119
Energy: 1.4874477287100414
Energy: 1.4754141061770591
Energy: 1.5138190180416002
Energy: 1.5447389263420983
Energy: 1.4620960795686735
Energy: 1.6348570462739553
Energy: 1.6456441878026327
Energy: 1.5521528632878174
Energy: 1.6248464394351494
Energy: 1.654931036843458
Energy: 1.6759450234085325
Energy: 1.4488261568013814
Energy: 1.4818164810882233
Energy: 1.4949973791646132
Energy: 1.458474780510109
Energy: 1.4677215082139432
Energy: 1.5123781922929316
Energy: 1.5361779625203538
Energy: 1.4460374058009968
Energy: 1.5839186000427947
Energy: 1.640013819795617
Energy: 1.560810973908519
Energy: 1.581860116727353
Energy: 1.6291585963333777
Energy: 1.6018877093734623
Energy: 1.5757721142493983
Energy: 1.6244465270674318
Energy: 1.64282460389545
Energy: 1.5616347717921604
Energy: 1.5761801736365642
Energy: 1.6433035935684732
Energy: 1.5840762489878983
Energy: 1.57217769422976
Energy: 1.65503980713735
Energy: 1.68850044747255
Energy: 1.6298220292722805
Energy: 1.6542771092749395
Energy: 1.6914743779977062
Energy: 1.6468593523215922
Energy: 1.6252197396931125
Energy: 1.533171040284633
Energy: 1.668299330242091
Energy: 1.5892171619836688
Energy: 1.5339587655844678
Energy: 1.688745388380108
Energy: 1.6714673899976384
Energy: 1.696949877965704
Energy: 1.5475449004217547
Energy: 1.6279690738623573
Energy: 1.6399906189867606
Energy: 1.61969211090479
Energy: 1.690899838349605
Energy: 1.6152210823160662
Energy: 1.6539450266692932
Energy: 1.6840243570322588
Energy: 1.5846107397284697
Energy: 1.5607060267656832
Energy: 1.6073484094939083
Energy: 1.6119384633399705
Energy: 1.5689966130109958
Energy: 1.5931101323726264
Energy: 1.6753337411392561
Energy: 1.6369460584247832
Energy: 1.6187518894739237
Energy: 1.625477270811645
Energy: 1.6563000468938451
Energy: 1.6205574240975666
Energy: 1.6613506875226565
Energy: 1.6203016691407415
Energy: 1.633864623833844
Energy: 1.6340042440744627
Energy: 1.6456313659427504
Energy: 1.62948481399461
Energy: 1.6163985605194575
Energy: 1.6462704946841331
Energy: 1.4647774741420914
Energy: 1.4393634364689443
Energy: 1.4350126381795325
Energy: 1.541355445997229
Energy: 1.486467185445152
Energy: 1.4893133172020705
Energy: 1.4763983085910541
Energy: 1.5296960767741974
Energy: 1.4498006904609444
Energy: 1.457189618512122
Energy: 1.6007362288305542
Energy: 1.4890047793983598
Energy: 1.4161826098440586
Energy: 1.6364497863322007
Energy: 1.4808301739403797
Energy: 1.4943503387905868
Energy: 1.6043827390093701
Energy: 1.5245978652663188
Energy: 1.4137283690626037
Energy: 1.4524976418894047
Energy: 1.5596976748074907
Energy: 1.613557028786903
Energy: 1.5186878016863425
Energy: 1.460010698777968
Energy: 1.480356436023632
Energy: 1.5543256835248667
Energy: 1.580610683042872
Energy: 1.5888623548998273
Energy: 1.585534386632451
Energy: 1.5602174760054803
Energy: 1.5845768426039504
Energy: 1.6007007587241986
Energy: 1.559254871643854
Energy: 1.6174893014735605
Energy: 1.6449264714679632
Energy: 1.5994255953593302
Energy: 1.6216293857328332
Energy: 1.6265823540607065
Energy: 1.583433801030047
Energy: 1.5864646930674404
Energy: 1.614211324733691
Energy: 1.5992145911471471
Energy: 1.6516017065960937
Energy: 1.6706190854010285
Energy: 1.6378439991207432
Energy: 1.6864222457390265
Energy: 1.6321441521398743
Energy: 1.620560338700934
Energy: 1.6315918406792873
Energy: 1.6276270868345268
Energy: 1.5715014897270732
Energy: 1.6399732178136182
Energy: 1.597133932484794
Energy: 1.7084517017418879
Energy: 1.6065093447591694
Energy: 1.6689755291256336
Energy: 1.6073272700458718
Energy: 1.6908187310028004
Energy: 1.668104724691169
Energy: 1.6415266193845988
Energy: 1.7389492636307902
Energy: 1.6845867759412834
Energy: 1.6035114591173316
Energy: 1.6560641323258216
Energy: 1.652048212504969
Energy: 1.6123430717440344
Energy: 1.6174539206918856
Energy: 1.6572651486783432
Energy: 1.631789514041031
Energy: 1.600286619090193
Energy: 1.7219600235725818
Energy: 1.6907455803286904
Energy: 1.680577683736336
Energy: 1.7025178082047037
Energy: 1.7234512753040463
Energy: 1.7001419293442506
Energy: 1.7468095765236706

minimum gb energy = 1.4137283690626037 eV
minimum distance =  2.2253105680594 Angstroms
sigma value = 39


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

Energy: 1.7360297128715076
Energy: 1.817487489647331
Energy: 1.8589040048406271
Energy: 1.7358047086387598
Energy: 1.7357224341281272
Energy: 2.298068645787317
Energy: 1.668616926481606
Energy: 1.5459571578894205
Energy: 1.5542857227136333
Energy: 1.4662894943588398
Energy: 1.5034979180674193
Energy: 1.4747419938983466
Energy: 1.48263233698247
Energy: 1.5323209087050536
Energy: 1.5262243157054427
Energy: 1.4850641832523401
Energy: 1.3923255960171905
Energy: 1.4853835797040398
Energy: 1.5044173961617624
Energy: 1.4514343201750566
Energy: 1.480504448028765
Energy: 1.523692133491799
Energy: 1.357035675513318
Energy: 1.4540746583343054
Energy: 1.6132351670996812
Energy: 1.4933110831071397
Energy: 1.3496461453167925
Energy: 1.6596778795942078
Energy: 1.6762370638380726
Energy: 1.443906016451319
Energy: 1.5019991745103667
Energy: 1.5231208965009841
Energy: 1.4302816200836665
Energy: 1.4500400592971918
Energy: 1.455391335138041
Energy: 1.5057753515074523
Energy: 1.4124776133547337
Energy: 1.3959248052823936
Energy: 1.4799711380822675
Energy: 1.4780286727209817
Energy: 1.416873883043437
Energy: 1.448800883585624
Energy: 1.4753549523793144
Energy: 1.3839431403423963
Energy: 1.4090787092204713
Energy: 1.409011519064212
Energy: 1.481994732623979
Energy: 1.413492070664625
Energy: 1.446335819773754
Energy: 1.4628912474790325
Energy: 1.4794616996123255
Energy: 1.459549880037875
Energy: 1.4390700240045666
Energy: 1.4643687401005712
Energy: 1.4420058206729964
Energy: 1.47998557556656
Energy: 1.4942568892521468
Energy: 1.5045542245993342
Energy: 1.5939543120452877
Energy: 1.4744180466774361
Energy: 1.4840630691646226
Energy: 1.6081287166958935
Energy: 1.4716933263982364
Energy: 1.4633720268686814
Energy: 1.4891032366053183
Energy: 1.598606637157732
Energy: 1.5189456585592287
Energy: 1.474832171434378
Energy: 1.586038180152873
Energy: 1.5704379142912217
Energy: 1.4732507716851588
Energy: 1.489387571620295
Energy: 1.3665203272208228
Energy: 1.4591519820546135
Energy: 1.4870228698267856
Energy: 1.4784663851873925
Energy: 1.4537193554025065
Energy: 1.4898331652894437
Energy: 1.5737909074250103
Energy: 1.6891497925514152
Energy: 1.5096555011009574
Energy: 1.5468575895763388
Energy: 1.73904768131292
Energy: 1.4973129565918313
Energy: 1.474759745393857
Energy: 1.6448244148214197
Energy: 1.5738969477123208
Energy: 1.590390151227647
Energy: 1.5991898237865974
Energy: 1.6090528573873075
Energy: 1.6625552736117357
Energy: 1.4407315066343085
Energy: 1.5680351215889459
Energy: 1.4217458914016643
Energy: 1.4764222982600324
Energy: 1.5213127674042046
Energy: 1.669350407866986
Energy: 1.4861764457358864
Energy: 1.4869783563205512
Energy: 1.6022173647542561
Energy: 1.7357623475667525
Energy: 1.541047051737542
Energy: 1.55182397451161
Energy: 1.7275041977563712
Energy: 1.5935783129237653
Energy: 1.6210242457745894
Energy: 1.5854926896577395
Energy: 1.6789061936356418
Energy: 1.6205191505217602
Energy: 1.6206236161832448
Energy: 1.7923255186812737
Energy: 1.5536932894656128
Energy: 1.5049396398508033
Energy: 1.4710546713217008
Energy: 1.475892979014455
Energy: 1.4614065635528464
Energy: 1.4873495015623632
Energy: 1.442583470137943
Energy: 1.493049967995168
Energy: 1.399934389709791
Energy: 1.3921551190535293
Energy: 1.4893796477075485
Energy: 1.5358422819061772
Energy: 1.499859158905486
Energy: 1.3327776139189627
Energy: 1.4661626920649005
Energy: 1.420901584011737
Energy: 1.350309820272705
Energy: 1.5520792539372315
Energy: 1.5987071863818172
Energy: 1.3580031325771054
Energy: 1.3506390614328871
Energy: 1.5810352195340207
Energy: 1.6624545798457604
Energy: 1.4092515530134622
Energy: 1.4887003155209375
Energy: 1.5005197850160519
Energy: 1.4129117657303125
Energy: 1.4656583878045875
Energy: 1.5189322020133598
Energy: 1.4730973330373192
Energy: 1.3899318530251863
Energy: 1.3802757007428985
Energy: 1.4985621997419416
Energy: 1.4648438394686565
Energy: 1.3418390716693465
Energy: 1.436558042772921
Energy: 1.4923527849381841
Energy: 1.4201774034833732
Energy: 1.41237888718791
Energy: 1.428036924522347
Energy: 1.477059113481484
Energy: 1.4292154634905347
Energy: 1.4729347069143233
Energy: 1.4584782992563199
Energy: 1.5442323417603028
Energy: 1.475947160756504
Energy: 1.4468358708704236
Energy: 1.470897004605
Energy: 1.4949350609372554
Energy: 1.411867062976121
Energy: 1.4884839426350613
Energy: 1.5785672208411399
Energy: 1.611251650882592
Energy: 1.4737803115968113
Energy: 1.4885930568117565
Energy: 1.6131580902608413
Energy: 1.4955754980231635
Energy: 1.4904351716193875
Energy: 1.5038282654787372
Energy: 1.6245108864597058
Energy: 1.50814049027688
Energy: 1.4968548800027215
Energy: 1.5783369250013584
Energy: 1.5465068016633856
Energy: 1.4926580208232834
Energy: 1.5244642046624348
Energy: 1.395518181266782
Energy: 1.4735411760708557
Energy: 1.5182022613787314
Energy: 1.5209586267931048
Energy: 1.4181066649296719
Energy: 1.415105773634516
Energy: 1.627811379495431
Energy: 1.676749963479582
Energy: 1.479272394773724
Energy: 1.5846412920530548
Energy: 1.700317845912969
Energy: 1.5726813505172865
Energy: 1.5423054459189633
Energy: 1.6419575186351159
Energy: 1.5925692696031712
Energy: 1.6178379752679724
Energy: 1.5997014011254522
Energy: 1.61048687200827
Energy: 1.6464574556818865
Energy: 1.4996010014072478
Energy: 1.5540926875244083
Energy: 1.4309259278372009
Energy: 1.4967103705709706
Energy: 1.5444407554394557
Energy: 1.6657825767586578
Energy: 1.5040148063488532
Energy: 1.5715637472276318
Energy: 1.5806018541657387
Energy: 1.7011639975360977
Energy: 1.578282841045368
Energy: 1.5419913577459303
Energy: 1.7125202615368003
Energy: 1.623675308473882

minimum gb energy = 1.3327776139189627 eV
minimum distance =  2.24809234649257 Angstroms
sigma value = 21


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

Energy: 1.8590300622916065
Energy: 1.9211400116410942
Energy: 1.5523452292869433
Energy: 1.464342582156107
Energy: 1.696001892627081
Energy: 1.6114048574524371
Energy: 1.5956600846670193
Energy: 1.4009567846992868
Energy: 1.4282772227882496
Energy: 1.349277258283126
Energy: 1.4655570193469614
Energy: 1.3492352498532636
Energy: 1.4001365221527389
Energy: 1.4478249147811404
Energy: 1.3905052856937241
Energy: 1.3767534401180788
Energy: 1.4002700283995122
Energy: 1.4111770369666559
Energy: 1.4055406192647926
Energy: 1.3736177997676908
Energy: 1.3789943997457963
Energy: 1.455602578138527
Energy: 1.3586750149238247
Energy: 1.315605402380642
Energy: 1.4089091646356364
Energy: 1.376614903139225
Energy: 1.3419155680032953
Energy: 1.3973039336811464
Energy: 1.4445525120738183
Energy: 1.291495601096592
Energy: 1.3602371631268375
Energy: 1.3035642594200965
Energy: 1.3441881460691243
Energy: 1.3052675930330233
Energy: 1.3589881046118926
Energy: 1.2229599668696403
Energy: 1.2171217448009104
Energy: 1.3687072059525893
Energy: 1.3032339053701187
Energy: 1.3472923060573245
Energy: 1.227349840323904
Energy: 1.3064589888508367
Energy: 1.318327132980426
Energy: 1.2886636339990734
Energy: 1.2462440298832786
Energy: 1.3090383266550036
Energy: 1.3287876829081708
Energy: 1.2750126581903811
Energy: 1.3017966218964232
Energy: 1.2648957450365466
Energy: 1.326070755501672
Energy: 1.3303787997962104
Energy: 1.2840019834173797
Energy: 1.2783335187189426
Energy: 1.340401403088363
Energy: 1.3119256814815867
Energy: 1.1911261659441585
Energy: 1.2129059827069846
Energy: 1.3133758014465262
Energy: 1.1746551717423048
Energy: 1.2328574973958981
Energy: 1.2602070342335667
Energy: 1.315460239233511
Energy: 1.103743337356726
Energy: 1.136259702319245
Energy: 1.3150256386313748
Energy: 1.16926686568026
Energy: 1.1043017764849574
Energy: 1.3225496623166098
Energy: 1.234727206655005
Energy: 1.2374556096396836
Energy: 1.258300610542895
Energy: 1.2417122996506211
Energy: 1.2638589001126141
Energy: 1.2708892395365015
Energy: 1.276458746245191
Energy: 1.2455116593162652
Energy: 1.2672305660131844
Energy: 1.2737663835207085
Energy: 1.2504261963996457
Energy: 1.2590608163837134
Energy: 1.2897317227280793
Energy: 1.2350967757861193
Energy: 1.2447435625338716
Energy: 1.318344269688668
Energy: 1.3103876974427857
Energy: 1.1408957932196149
Energy: 1.1788532175205753
Energy: 1.3411800983760032
Energy: 1.138129316002775
Energy: 1.2022743138933019
Energy: 1.2597463573651582
Energy: 1.2697347713558347
Energy: 1.1454329321540029
Energy: 1.3450933456513214
Energy: 1.3413419955189345
Energy: 1.1640399182958963
Energy: 1.2518751372569976
Energy: 1.4350552285757707
Energy: 1.2664765645927887
Energy: 1.2306187201651715
Energy: 1.2560310026336172
Energy: 1.2704646685572876
Energy: 1.2389340625905574
Energy: 1.2291834392961185
Energy: 1.2836652249949667
Energy: 1.2925609644307579
Energy: 1.4540824332494657
Energy: 1.2832120089515027
Energy: 1.2996893537619398
Energy: 1.4131921573015536
Energy: 1.2779540981888675
Energy: 1.2204623660238958
Energy: 1.2827826153097968
Energy: 1.3276326717168923
Energy: 1.2845508998876964
Energy: 1.3259512554365687
Energy: 1.3358937580430932
Energy: 1.3242312343407858
Energy: 1.282276783461548
Energy: 1.35451992792714
Energy: 1.331367746657369
Energy: 1.2975214093553746
Energy: 1.3317788471540593
Energy: 1.3564971674078223
Energy: 1.3340576870884437
Energy: 1.3697200727923455
Energy: 1.3213733946968276
Energy: 1.5339510380869898
Energy: 1.3914391366455205
Energy: 1.3182378762366975
Energy: 1.339078438930401
Energy: 1.452580403461298
Energy: 1.3595870320663928
Energy: 1.3519949652912586
Energy: 1.5075135939562783
Energy: 1.3901344686572397
Energy: 1.3812693689121287
Energy: 1.3409186860188014
Energy: 1.4494513272158138
Energy: 1.3509132612085661
Energy: 1.3069008578538288
Energy: 1.4092507212465724
Energy: 1.4005089584085357
Energy: 1.3921104995734368
Energy: 1.426800173770935
Energy: 1.3878089658383483
Energy: 1.4156575385653232
Energy: 1.48762055570037
Energy: 1.4701204534653554
Energy: 1.4571335417446498
Energy: 1.5225368901922123
Energy: 1.5013647647475181
Energy: 1.4597062211036733
Energy: 1.4074390233101461
Energy: 1.3709541340105162
Energy: 1.4975878326608567
Energy: 1.4073275840912887
Energy: 1.5267307060186404
Energy: 1.3804193877102782
Energy: 1.4678589722778932
Energy: 1.3890557746782974
Energy: 1.3973180121090063
Energy: 1.4149205086288024
Energy: 1.4669109074149371
Energy: 1.3903762198447973
Energy: 1.4211957330435574
Energy: 1.384502906193877
Energy: 1.4415132181434243
Energy: 1.4241720663340531
Energy: 1.4936924656157982
Energy: 1.439223748857494
Energy: 1.455709245531422
Energy: 1.3644590299770007
Energy: 1.4722772628163534

minimum gb energy = 1.103743337356726 eV
minimum distance =  2.26863065538436 Angstroms
sigma value = 113


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

Energy: 1.92378557327959
Energy: 1.5427411644150046
Energy: 1.3756235948303428
Energy: 1.34416920911655
Energy: 1.3445918770319902
Energy: 1.372747464243662
Energy: 1.374084648084512
Energy: 1.269538056576122
Energy: 1.247995337709014
Energy: 1.3364998591581607
Energy: 1.360783318537625
Energy: 1.3411951133488929
Energy: 1.305161328793832
Energy: 1.3179209391901296
Energy: 1.2732949306607657
Energy: 1.2110462626430138
Energy: 1.2253053428413612
Energy: 1.3384334884476976
Energy: 1.3469574396647517
Energy: 1.2144212837637538
Energy: 1.274134765080583
Energy: 1.3154353024757952
Energy: 1.2834810242347912
Energy: 1.2730197502901313
Energy: 1.3388228014436228
Energy: 1.1833999081535664
Energy: 1.272681036304268
Energy: 1.3414364415075342
Energy: 1.2041645204178706
Energy: 1.2144821485753061
Energy: 1.2374593002711316
Energy: 1.3230356510350825
Energy: 1.3009686366453206
Energy: 1.2248941802844175
Energy: 1.2037610728761248
Energy: 1.218079988930424
Energy: 1.2100932207028192
Energy: 1.1783748118544033
Energy: 1.2820883827370533
Energy: 1.27289448708938
Energy: 1.2774910478803583
Energy: 1.248364249038358
Energy: 1.20390024875686
Energy: 1.3238367683424503
Energy: 1.188361750468827
Energy: 1.209195852286504
Energy: 1.2457488859513084
Energy: 1.2178865266293588
Energy: 1.2171254510786356
Energy: 1.1731035411150934
Energy: 1.361545501750835
Energy: 1.2386157037736947
Energy: 1.202423272256613
Energy: 1.2326872384876124
Energy: 1.2512906683190728
Energy: 1.1618192118012525
Energy: 1.161199521867852
Energy: 1.1909882764593211
Energy: 1.2065795704729811
Energy: 1.2307606323582698
Energy: 1.1776190313361314
Energy: 1.2172321794417045
Energy: 1.1715129468363135
Energy: 1.1020525718070693
Energy: 1.1406814517942183
Energy: 1.2055499028895413
Energy: 1.189894828395283
Energy: 1.1446965486486325
Energy: 1.2031544923157644
Energy: 1.1811934591573587
Energy: 1.1294129021545705
Energy: 1.2255549237947618
Energy: 1.2597206677410582
Energy: 1.1586660210772062
Energy: 1.1800722924690354
Energy: 1.1853705041143037
Energy: 1.1834148986841606
Energy: 1.1726084827095056
Energy: 1.1309470623875226
Energy: 1.1740882632979992
Energy: 1.167142167277058
Energy: 1.1858227177444205
Energy: 1.1047422578511719
Energy: 1.1695295839696458
Energy: 1.154711629451798
Energy: 1.1180344295968456
Energy: 1.1134322007114048
Energy: 1.1724395028378376
Energy: 1.1741494134405246
Energy: 1.121857603078386
Energy: 1.1339173479982814
Energy: 1.2008898965306543
Energy: 1.101397583221141
Energy: 1.1496292000343489
Energy: 1.1634349065551295
Energy: 1.167398648657942
Energy: 1.1152810305867111
Energy: 1.1233993625906311
Energy: 1.162328632575352
Energy: 1.1516932058675455
Energy: 1.1546595476486006
Energy: 1.1471124186929322
Energy: 1.1101722744833082
Energy: 1.1737397688193996
Energy: 1.1145490682097274
Energy: 1.0885413335770733
Energy: 1.1419047665971027
Energy: 1.1267460872251283
Energy: 1.0964435463817623
Energy: 1.1110347096019455
Energy: 1.1543337515568421
Energy: 1.1095730972507536
Energy: 1.0966275143999888
Energy: 1.1529945574636737
Energy: 1.1188049767828354
Energy: 1.0950175700584521
Energy: 1.096010766875279
Energy: 1.1442849235400472
Energy: 1.0909484802097236
Energy: 1.090304334097669
Energy: 1.1434720862645926
Energy: 1.1510915302855689
Energy: 1.1222533597801025
Energy: 1.1347892318172867
Energy: 1.1358696761466616
Energy: 1.1384597379074957
Energy: 1.0822628096307192
Energy: 1.1504234322832596
Energy: 1.1937421822957954
Energy: 1.2055968888409836
Energy: 1.1257623450825625
Energy: 1.1270889109143476
Energy: 1.2150635561337597
Energy: 1.0737833439934146
Energy: 1.0497654690094513
Energy: 1.1334118579753238
Energy: 1.1337401393907331
Energy: 1.0283523021127208
Energy: 1.1035341997123869
Energy: 1.151256062179352
Energy: 1.1172285731289755
Energy: 1.0699513997098609
Energy: 1.10141490624445
Energy: 1.142880371200432
Energy: 1.1050764764124568
Energy: 1.0934914653112804
Energy: 1.1328925869421433
Energy: 1.1569267051101457
Energy: 1.1025389200058222
Energy: 1.1231731320285607
Energy: 1.150061387979107
Energy: 1.1160691432282117
Energy: 1.1171747742240206
Energy: 1.1240803494785374
Energy: 1.1631505721232258
Energy: 1.1013023297720808
Energy: 1.0876170638314886
Energy: 1.0949377105031475
Energy: 1.105258180452823
Energy: 1.0409361629142546
Energy: 1.1167283376413768
Energy: 1.1260047421093748
Energy: 1.1122626680439893
Energy: 1.1010092866260242
Energy: 1.1015534820348203
Energy: 1.1094498797830266
Energy: 1.1528871827019125
Energy: 1.0818954733662538
Energy: 1.1680100466035392
Energy: 1.14157698725025
Energy: 1.1059056889015677
Energy: 1.1275475763209044
Energy: 1.116777526103699
Energy: 1.1160697708524188
Energy: 1.1088094643410784
Energy: 1.1134231549229576
Energy: 1.1502143973948273
Energy: 1.099326539857802
Energy: 1.0639258242274732
Energy: 1.1431011377257894
Energy: 1.1470345237841055
Energy: 1.0837613174256948
Energy: 1.0659423734891718
Energy: 1.1757505236596455
Energy: 1.123409254968858
Energy: 1.058880203394107
Energy: 1.1691578599493502
Energy: 1.145520446749357
Energy: 1.0657985326048973
Energy: 1.0920646691181433
Energy: 1.1419402728725632
Energy: 1.132430097053757
Energy: 1.114474870905993
Energy: 1.1219952926800822
Energy: 1.1319949085539214
Energy: 1.1695733313096233
Energy: 1.0839897786272972
Energy: 1.102039583949141
Energy: 1.199889353955708
Energy: 1.1831750997099868
Energy: 1.0972489074434435
Energy: 1.1684710787398018
Energy: 1.1522338952140558
Energy: 1.1163244031335837
Energy: 1.0913333237919716
Energy: 1.169007895348043
Energy: 1.1122588760533125
Energy: 1.091983681684626
Energy: 1.1502652894720267
Energy: 1.127252698941008
Energy: 1.1719635306174692
Energy: 1.1540481072761413
Energy: 1.1461316410384472
Energy: 1.1450359703198678
Energy: 1.1839780165527678
Energy: 1.189269952533554
Energy: 1.1440063296703853
Energy: 1.1996451697962318
Energy: 1.155963761664039
Energy: 1.1586577802292082
Energy: 1.178685380408303
Energy: 1.1583728098871404
Energy: 1.1222503330258629
Energy: 1.1441273637876912
Energy: 1.1765307361626884
Energy: 1.1574934621046498
Energy: 1.1187027684032047
Energy: 1.1651664416536298
Energy: 1.2376015273424854
Energy: 1.1159876504349198
Energy: 1.1567133684626278
Energy: 1.2135187115935182
Energy: 1.1424204490652097
Energy: 1.128615887585735
Energy: 1.219072665546177
Energy: 1.2292820500028592
Energy: 1.1750367267206732
Energy: 1.151055828871999
Energy: 1.161839054546836
Energy: 1.238652778457252
Energy: 1.1847728424287367
Energy: 1.184593102655393
Energy: 1.1506075042662751
Energy: 1.1946087925403472
Energy: 1.1884574342315328
Energy: 1.128344927023473
Energy: 1.1981573544797957
Energy: 1.2305421998539225
Energy: 1.1584555182586316
Energy: 1.196475100994611
Energy: 1.2105143811273493
Energy: 1.2508143430723986
Energy: 1.1788045195567451
Energy: 1.1768974597380042
Energy: 1.2013426165002574
Energy: 1.2139807187708191
Energy: 1.251843283983093
Energy: 1.2001900349622998
Energy: 1.2229243415065072
Energy: 1.2284490909089945
Energy: 1.2179237816635893
Energy: 1.1880739047129618
Energy: 1.2497311827542834
Energy: 1.2201337835824853
Energy: 1.2706137630456442
Energy: 1.214497380259425
Energy: 1.2614531851208297
Energy: 1.2746486795837
Energy: 1.3677588897707986
Energy: 1.2672296791864843
Energy: 1.2331137407008566
Energy: 1.2375235265091193
Energy: 1.3826926228366
Energy: 1.265554152150079
Energy: 1.2313070978759824
Energy: 1.2554356881762956
Energy: 1.312989329846583
Energy: 1.3230517322248405
Energy: 1.2416147290658444
Energy: 1.2594064481631022
Energy: 1.3101297347971854
Energy: 1.182419023568993
Energy: 1.267654350644251
Energy: 1.3390844734496339
Energy: 1.3426915840050302
Energy: 1.2590477379554457
Energy: 1.2736380665474607
Energy: 1.3032941030295693
Energy: 1.344324721400751
Energy: 1.3085641350664963
Energy: 1.3627402951132541
Energy: 1.276977449182264
Energy: 1.3069652434792551
Energy: 1.410224862248892
Energy: 1.2778898409360029
Energy: 1.253541290089849
Energy: 1.2612696836600081
Energy: 1.3733867385982066
Energy: 1.370900952662904
Energy: 1.2656203776572286
Energy: 1.2665156402740925
Energy: 1.3175265620255783
Energy: 1.2497633787229092
Energy: 1.3061359408245141
Energy: 1.358943334994661
Energy: 1.3748664083377637
Energy: 1.235577689832393
Energy: 1.2677911645006916
Energy: 1.311555041704459
Energy: 1.342675067636957
Energy: 1.3188387493536067
Energy: 1.291031432191851
Energy: 1.2912947787956193
Energy: 1.3122667650873299
Energy: 1.3876709580382216

minimum gb energy = 1.0283523021127208 eV
minimum distance =  2.25539314768629 Angstroms
sigma value = 365


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

Energy: 1.3638320024462351
Energy: 1.1383175252752513
Energy: 1.1640616701015802
Energy: 1.1638398897238358
Energy: 1.190650818402724
Energy: 1.1637470820991211
Energy: 1.1642547724665429
Energy: 0.39090931628720654
Energy: 0.4113340506865246
Energy: 0.44428893828405214
Energy: 0.4449525744507291
Energy: 0.48021051739891246
Energy: 0.4435106264938749
Energy: 0.443679883836106
Energy: 0.3910259269989088
Energy: 0.41168497060707954
Energy: 0.44457329518565447
Energy: 0.44534163754598677
Energy: 0.44920284928619664
Energy: 0.4447539659329865
Energy: 0.44410540393435616
Energy: 1.1478883064359031
Energy: 1.1376326747541574
Energy: 1.2233303550501626
Energy: 1.2232431609980947
Energy: 1.2582660034498276
Energy: 1.1364802627937087
Energy: 1.1365549745377674
Energy: 1.2396568773574592
Energy: 1.1371489457351374
Energy: 1.2378728103607728
Energy: 1.2535386102785449
Energy: 1.2578505863428096
Energy: 1.211456462615801
Energy: 1.2403257390310434
Energy: 0.39083640595109537
Energy: 0.4277407364798435
Energy: 0.4442032696645163
Energy: 0.444606396509699
Energy: 0.4579253969720553
Energy: 0.4449079835821581
Energy: 0.44416980266555994
Energy: 1.137335000500096
Energy: 1.1482317859083435
Energy: 1.2218728903758107
Energy: 1.2592999172542865
Energy: 1.2595580555196442
Energy: 1.257783634654519
Energy: 1.2395289599265635
Energy: 1.137210511866274
Energy: 1.1487014530689228
Energy: 1.223008948238742
Energy: 1.2597601707026822
Energy: 1.259738548198614
Energy: 1.223060412971231
Energy: 1.210197868787997
Energy: 0.39105381563056
Energy: 0.41108068333380715
Energy: 0.4449465849679179
Energy: 0.445278861675436
Energy: 0.44494821078408714
Energy: 0.44439454283436886
Energy: 0.4438569798928071
Energy: 1.2109596518350139
Energy: 1.2402736650538393
Energy: 1.1746929891587883
Energy: 1.241723081455995
Energy: 1.2536029288161645
Energy: 1.2462161693488887
Energy: 1.2416578317417983
Energy: 1.1590438626278698
Energy: 1.1383064097724707
Energy: 1.1366842245667985
Energy: 1.2239538102702832
Energy: 1.2584864611276896
Energy: 1.2231822571054773
Energy: 1.1374304544388034
Energy: 0.3911258205091771
Energy: 0.4113949586886932
Energy: 0.4449165489506726
Energy: 0.44571868095274353
Energy: 0.4806602210366426
Energy: 0.4453483256152271
Energy: 0.44333529511177266
Energy: 0.39098324298361836
Energy: 0.4115605213920867
Energy: 0.4440564014911755
Energy: 0.4449251172989227
Energy: 0.47951395970534916
Energy: 0.44479728162882143
Energy: 0.4441444212422388
Energy: 1.1613449397405076
Energy: 1.1387999943676572
Energy: 1.223243933965161
Energy: 1.2248343730921947
Energy: 1.2235247605631119
Energy: 1.136374856867671
Energy: 1.136839973822528
Energy: 1.2393881495625783
Energy: 1.2110322701047906
Energy: 1.255022459161465
Energy: 0.4442770904458994
Energy: 0.4797582724300159
Energy: 0.44480166622640255
Energy: 1.2425557373500054
Energy: 0.3911200142464009
Energy: 0.4114629420410819
Energy: 0.44431732689288866
Energy: 0.44489187468948466
Energy: 0.47953983395306804
Energy: 0.4459503937846573
Energy: 0.4444359402922797
Energy: 1.1371819736986772
Energy: 1.1376779706960265
Energy: 1.2233582765825484
Energy: 1.2585320327426368
Energy: 1.2582778973714022
Energy: 1.2235152207043092
Energy: 1.1365067996631297
Energy: 1.2341878932259698
Energy: 1.2397890791107755
Energy: 1.1705754072807408
Energy: 1.2578107045507196
Energy: 1.2576359756482935
Energy: 1.1917456410031113
Energy: 1.1372284057090363
Energy: 0.3908995844583786
Energy: 0.4279043094867096
Energy: 0.44432103824232877
Energy: 0.4521190107651421
Energy: 0.45782239301788535
Energy: 0.4448592381822858
Energy: 0.4268020852428112
Energy: 1.1372062921058763
Energy: 1.1372397586720566
Energy: 1.1392621042628197
Energy: 1.2581048908685477
Energy: 1.2579201490425065
Energy: 1.257868115830873
Energy: 1.209749088680167

minimum gb energy = 0.39083640595109537 eV
minimum distance =  2.34003954445505 Angstroms
sigma value = 23