Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335420566668
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.2308663835148995e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013162578241025923
Energy: 0.013507585083718578
Energy: 0.21689518064652644
Energy: 0.21695936234438987
Energy: 0.21684321540245471
Energy: 0.01326971612406289
Energy: 0.013507585083718578
Energy: 1.0848120234158147
Energy: 0.21686254404494884
Energy: 0.21688482834612627
Energy: 0.2169892040220197
Energy: 0.21684987052357624
Energy: 0.21689518064602745
Energy: 0.21686254404542007
Energy: 1.0862498866116232
Energy: 0.01341209308848637
Energy: 0.21685970802529386
Energy: 0.21727609108986143
Energy: 0.21695936234438987
Energy: 0.21688482834612627
Energy: 0.013412093089456569
Energy: 0.013298795046646574
Energy: 0.21709924188610977
Energy: 0.21684824375953768
Energy: 0.21684321540195575
Energy: 0.2169892040225187
Energy: 0.21685970802529386
Energy: 0.2170992418890481
Energy: 1.0841001788208808
Energy: 0.21690187835560704
Energy: 0.013269716123563927
Energy: 0.21684987052407517
Energy: 0.21727609108986143
Energy: 0.21684824375953768
Energy: 0.21690187835851762
Energy: 0.013267623756035326

minimum gb energy = 0.013162578241025923 eV
minimum distance =  2.48120115385613 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.9720048530885212
Energy: 1.3888321669853974
Energy: 1.3360079031077823
Energy: 1.3347304193342542
Energy: 1.3339638914639178
Energy: 1.389262276995501
Energy: 1.214373069286877
Energy: 1.409347146274216
Energy: 1.3187471103300288
Energy: 1.3218703377991732
Energy: 1.3186154475620757
Energy: 1.338521416312254
Energy: 1.2327650251584117
Energy: 1.3175819769652597
Energy: 1.40986386642498
Energy: 1.256027114845816
Energy: 1.3183856028049015
Energy: 1.3176551561403826
Energy: 1.3117314637894042
Energy: 1.3110549229723305
Energy: 1.3991067404637498
Energy: 1.4380520234344651
Energy: 1.3109794604517053
Energy: 1.3131618756245387
Energy: 1.2581824840946545
Energy: 1.3175448485614536
Energy: 1.3183957677636013
Energy: 1.3210042194471057
Energy: 1.4164229406805993
Energy: 1.313388527004317
Energy: 1.2577246021971942
Energy: 1.3979174303108513
Energy: 1.397905764587211
Energy: 1.3196373804628727
Energy: 1.3990230890357713
Energy: 1.3982164758276603
Energy: 1.2577917768803484
Energy: 1.3971519632860794
Energy: 1.3976156470772068
Energy: 1.438674214657108
Energy: 1.3979424116439048
Energy: 1.3973451074982826
Energy: 1.2585671927128261
Energy: 1.2571029048463043
Energy: 1.230541525553637
Energy: 1.2329879890640612
Energy: 1.353136715141593
Energy: 1.2568495466962448
Energy: 1.213955922511601
Energy: 1.4005118160072214
Energy: 1.4013577642234292
Energy: 1.318936697734559
Energy: 1.401147963648995
Energy: 1.3532300707530025
Energy: 1.219396144349794
Energy: 1.3976753233741093
Energy: 1.3985134426490045
Energy: 1.3206922936854069
Energy: 1.3982867788342281
Energy: 1.3986869030157996
Energy: 1.2571371440918873
Energy: 1.257444745626698
Energy: 1.3171005617293134
Energy: 1.2315344825480494
Energy: 1.3212772364016447
Energy: 1.257813041380484
Energy: 1.3134187532628094
Energy: 1.3114381793255694
Energy: 1.3819758876330095
Energy: 1.2163878791694631
Energy: 1.3114927816974444
Energy: 1.3134159263193745
Energy: 1.3197384106460248
Energy: 1.311474049642286
Energy: 1.3819205355088928
Energy: 1.2159463508520194
Energy: 1.311725473754198
Energy: 1.319393946419654
Energy: 1.3195910501919235
Energy: 1.3185454195382897
Energy: 1.3176976257854218
Energy: 1.2322322552097815
Energy: 1.3171529484113256
Energy: 1.3175754138615785
Energy: 1.2557542188634423
Energy: 1.3110379591135102
Energy: 1.3109383756656157
Energy: 1.320179301874632
Energy: 1.3106637121555662
Energy: 1.3988776116423531
Energy: 1.255466408511404
Energy: 1.3179840114690913
Energy: 1.3168056748976837
Energy: 1.3143267632705946
Energy: 1.3167049101747192
Energy: 1.3385117022589046
Energy: 1.3196177746580582
Energy: 1.317851978766364
Energy: 1.257476306331774
Energy: 1.2570252442475414
Energy: 1.3982978435555513
Energy: 1.3171244386401528
Energy: 1.3186098601915313
Energy: 1.401048777815147
Energy: 1.399221931748826
Energy: 1.398686731263034
Energy: 1.4000614265005462
Energy: 1.4425626154712516
Energy: 1.3185996051249822
Energy: 1.398549254156753
Energy: 1.3431053489076425
Energy: 1.2571943063010678
Energy: 1.4001008847234033
Energy: 1.4447502589507468
Energy: 1.23056629037194
Energy: 1.3986614930715022
Energy: 1.2569209470274798
Energy: 1.2572331200338362
Energy: 1.3975733097325007
Energy: 1.3132049690242609
Energy: 1.3196350112245823
Energy: 1.3987820854528472
Energy: 1.3985768499074798
Energy: 1.3989457647205732
Energy: 1.3984728413469838
Energy: 1.3975565000896235
Energy: 1.2321159504032697
Energy: 1.40135453398625
Energy: 1.401226622541146
Energy: 1.2169161047533517
Energy: 1.4008784074865441
Energy: 1.3175015680070254
Energy: 1.2141611755361952
Energy: 1.4098543066787994
Energy: 1.3141765654536552
Energy: 1.313741691969608
Energy: 1.3178236025752528
Energy: 1.3389956101375597

minimum gb energy = 1.213955922511601 eV
minimum distance =  2.23472066990369 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.519950039080017
Energy: 1.4007562367568458
Energy: 1.3686707466668073
Energy: 1.351809059060614
Energy: 1.368778494445148
Energy: 1.4817242586415467
Energy: 1.5682114178114002
Energy: 1.4338172980334665
Energy: 1.3380824867481311
Energy: 1.344163088477937
Energy: 1.3380454114488733
Energy: 1.4343180408967255
Energy: 1.4429277650011891
Energy: 1.434161120322986
Energy: 1.4347977954819233
Energy: 1.3556336220557366
Energy: 1.4346231572519383
Energy: 1.4362622543973695
Energy: 1.4450678947281037
Energy: 1.4340448649390698
Energy: 1.4342402454747258
Energy: 1.46281784483656
Energy: 1.4336364254114577
Energy: 1.435460726704225
Energy: 1.480023581861179
Energy: 1.443836557772294
Energy: 1.4242903170576537
Energy: 1.507816349569806
Energy: 1.4732563909601815
Energy: 1.436064971223813
Energy: 1.343305502797278
Energy: 1.4812788085875224
Energy: 1.4811941250460137
Energy: 1.3441829012012536
Energy: 1.4834090038533119
Energy: 1.4810265482713443
Energy: 1.3439309244807447
Energy: 1.4817705776214158
Energy: 1.4813043689285317
Energy: 1.5889404293290132
Energy: 1.4820785880641962
Energy: 1.4818962768517847
Energy: 1.3440733367147326
Energy: 1.3372475641101336
Energy: 1.343181250710729
Energy: 1.3433291043983684
Energy: 1.4833927669885274
Energy: 1.3368985353857223
Energy: 1.4025803423564684
Energy: 1.4348215370088249
Energy: 1.4427116182115114
Energy: 1.4467749813668225
Energy: 1.4343359197790884
Energy: 1.5058207460139537
Energy: 1.373208417423874
Energy: 1.4336553220586084
Energy: 1.4668366775583928
Energy: 1.4716670484268755
Energy: 1.4336079812448141
Energy: 1.4677567906917224
Energy: 1.3434019069162169
Energy: 1.4237969225108125
Energy: 1.4434955623262031
Energy: 1.4435280702852153
Energy: 1.4437544760217351
Energy: 1.3458008124313665
Energy: 1.3435739547869066
Energy: 1.3366394421936345
Energy: 1.3379577452145817
Energy: 1.3166215262557794
Energy: 1.3368025711924705
Energy: 1.3369505715176997
Energy: 1.3182153777264056
Energy: 1.3366704437192554
Energy: 1.3381328312101433
Energy: 1.3077712489350408
Energy: 1.33699244871921
Energy: 1.336672322847889
Energy: 1.3097346636465168
Energy: 1.3586472643924314
Energy: 1.443385206261602
Energy: 1.4427803948299625
Energy: 1.443756595748045
Energy: 1.3098936553088558
Energy: 1.3430474884720607
Energy: 1.4745046644520627
Energy: 1.5145508676399708
Energy: 1.4718122616930938
Energy: 1.4766009800151643
Energy: 1.4744722025830477
Energy: 1.356441237751674
Energy: 1.47596417910172
Energy: 1.4999586687314543
Energy: 1.4724264304917416
Energy: 1.4763457984241848
Energy: 1.5428746657917911
Energy: 1.358697689116468
Energy: 1.3091592374241916
Energy: 1.4439300166086462
Energy: 1.447292934534906
Energy: 1.4750798561165424
Energy: 1.309162412886792
Energy: 1.2729428200086468
Energy: 1.4743033390267914
Energy: 1.4744715129981532
Energy: 1.5758737290468279
Energy: 1.4753018619624096
Energy: 1.4771636201081555
Energy: 1.2712755005737637
Energy: 1.4748192388359016
Energy: 1.4751710707456087
Energy: 1.4719531419795415
Energy: 1.4764359712847457
Energy: 1.4750273846865594
Energy: 1.3203933225197722
Energy: 1.338093783910622
Energy: 1.4338066531084934
Energy: 1.4950995192511622
Energy: 1.6402887609354078
Energy: 1.3210996364100274
Energy: 1.321029950774792
Energy: 1.3369698956714704
Energy: 1.3929613995679397
Energy: 1.3621658782178216
Energy: 1.3376125881702292
Energy: 1.3192224599617584
Energy: 1.3438373955186007
Energy: 1.337382331545874
Energy: 1.6437670243499474
Energy: 1.3531380646244182
Energy: 1.337230146982994
Energy: 1.3373840270343813
Energy: 1.5057877725399582
Energy: 1.6513113488881173
Energy: 1.434586149599634
Energy: 1.4436847977374037
Energy: 1.4430317662681076
Energy: 1.4222195563911961
Energy: 1.3080312902937705
Energy: 1.4359187455770546
Energy: 1.4337054456963616
Energy: 1.4472909701259558
Energy: 1.4352963638054765
Energy: 1.4786935215814117
Energy: 1.5060992238620823
Energy: 1.4880486115059102
Energy: 1.4355168738097264
Energy: 1.447293163608049
Energy: 1.4420210758778993
Energy: 1.422309504338549
Energy: 1.343268896352838
Energy: 1.4820345335300742
Energy: 1.4808682013275623
Energy: 1.343678772918687
Energy: 1.4812214628242404
Energy: 1.3430145997585918
Energy: 1.411685517197194
Energy: 1.480762771904299
Energy: 1.4807409514141703
Energy: 1.457096687501182
Energy: 1.4809723360652256
Energy: 1.481949005011909
Energy: 1.3433262443039957
Energy: 1.481092508250231
Energy: 1.3372762139655783
Energy: 1.343549073729919
Energy: 1.4814670199243192
Energy: 1.3431078886344965
Energy: 1.447182278669787
Energy: 1.4438571901178532
Energy: 1.5039723632548831
Energy: 1.43944735832828
Energy: 1.4345311525012847
Energy: 1.4422196395166567
Energy: 1.471326742009837
Energy: 1.4422409497627493
Energy: 1.468468258034864
Energy: 1.4819758004792236
Energy: 1.4358218123447908
Energy: 1.4518438064198635
Energy: 1.4424784159529294
Energy: 1.4425946699609031
Energy: 1.4220910643207785
Energy: 1.3442571716619767
Energy: 1.4435132605696146
Energy: 1.4685623736840916
Energy: 1.4401075102499474
Energy: 1.338194446231979
Energy: 1.3366809783495552
Energy: 1.3445381415007713
Energy: 1.3367085272548311
Energy: 1.7004113551021707
Energy: 1.4182209193617177
Energy: 1.3377795224592428
Energy: 1.3365679813274713
Energy: 1.318669237753541
Energy: 1.3364905639556477
Energy: 1.4350071776274906
Energy: 1.4942823636193439
Energy: 1.4340534889454148
Energy: 1.3197225519272964
Energy: 1.3585385498646518
Energy: 1.3370660679414401
Energy: 1.4345184236124828
Energy: 1.4723217604069678
Energy: 1.4751805335412798
Energy: 1.4743755522581095
Energy: 1.3416465973228817
Energy: 1.474199070881172
Energy: 1.4698325068291875
Energy: 1.469456056909702
Energy: 1.4756007141804355
Energy: 1.4746009595621248
Energy: 1.320235874569885
Energy: 1.4743210859467915
Energy: 1.4976159715799904
Energy: 1.4419055976228687
Energy: 1.4276477907544358
Energy: 1.3089111672899145
Energy: 1.3096011271252574
Energy: 1.3088944419013557
Energy: 1.444237959284237
Energy: 1.4713135668611694
Energy: 1.4771275192290203
Energy: 1.4751943542443482
Energy: 1.2730377538418207
Energy: 1.474935945377118
Energy: 1.496453561233036
Energy: 1.4916228898791388
Energy: 1.47563583944212
Energy: 1.474373675440972
Energy: 1.2707918805689356
Energy: 1.4742767905828127
Energy: 1.510733268308058
Energy: 1.4966874570131485
Energy: 1.4441986987025826
Energy: 1.3201035670367571
Energy: 1.358372021084075
Energy: 1.3196335801794132
Energy: 1.4545377059771194
Energy: 1.2793050694977788
Energy: 1.3369349402514568
Energy: 1.3372270437732285
Energy: 1.320501541803118
Energy: 1.3367075247907323
Energy: 1.4720087411050686

minimum gb energy = 1.2707918805689356 eV
minimum distance =  2.23624898813826 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.35608491264737
Energy: 1.5146686681195733
Energy: 1.416453182359834
Energy: 1.4559521566477014
Energy: 1.4167395860763374
Energy: 1.5151674417453398
Energy: 1.3035400823772658
Energy: 1.529890102459623
Energy: 1.4155886373724125
Energy: 1.4926213897780671
Energy: 1.4161953187880596
Energy: 1.419400581808825
Energy: 1.466366603110524
Energy: 1.4161571956011694
Energy: 1.5299165414934117
Energy: 1.4550445863669446
Energy: 1.4163406404789702
Energy: 1.416114216551365
Energy: 1.4504706666484997
Energy: 1.4160432350869987
Energy: 1.415603735214076
Energy: 1.4536655515695678
Energy: 1.415956310346749
Energy: 1.4165722999304244
Energy: 1.4544900408034827
Energy: 1.428321641332764
Energy: 1.4198353730201738
Energy: 1.4540778972620252
Energy: 1.5188376400860104
Energy: 1.4284196524860426
Energy: 1.4787371426049492
Energy: 1.5224668636271854
Energy: 1.4165322164468148
Energy: 1.4980355535220358
Energy: 1.522533142923186
Energy: 1.5227695900320684
Energy: 1.4792913615179442
Energy: 1.5232654919886144
Energy: 1.5242777441308022
Energy: 1.6179074635623785
Energy: 1.525851644287186
Energy: 1.522347643703236
Energy: 1.4829557408210345
Energy: 1.4160372024656944
Energy: 1.4165256158633392
Energy: 1.4968931682250293
Energy: 1.5217710636043795
Energy: 1.415879296659745
Energy: 1.2767289312538836
Energy: 1.4164391294157905
Energy: 1.4163601859662551
Energy: 1.4541059961727987
Energy: 1.4161662503966588
Energy: 1.5059379052903494
Energy: 1.2737985700776833
Energy: 1.4158034898571545
Energy: 1.4162185791099255
Energy: 1.490326328482501
Energy: 1.4161134682367538
Energy: 1.5043919788401405
Energy: 1.479160937979019
Energy: 1.4197059402831307
Energy: 1.4279446373471103
Energy: 1.4839853253650748
Energy: 1.419988664996305
Energy: 1.429045576338083
Energy: 1.4658642533015531
Energy: 1.4154628687631305
Energy: 1.415612834177274
Energy: 1.46767872630266
Energy: 1.4149501998274816
Energy: 1.4153728239364656
Energy: 1.4488298379233622
Energy: 1.415583088777837
Energy: 1.416015072471981
Energy: 1.467755421745192
Energy: 1.4150443126578645
Energy: 1.4158415392676942
Energy: 1.4548983456664508
Energy: 1.419392871682075
Energy: 1.4192373177300313
Energy: 1.453970762997006
Energy: 1.4449090437872147
Energy: 1.4283788191325477
Energy: 1.480267031244918
Energy: 1.520629407264204
Energy: 1.5210265362633082
Energy: 1.6720092852620245
Energy: 1.5208879224060112
Energy: 1.520709889795633
Energy: 1.4652374787641316
Energy: 1.5206668034845745
Energy: 1.5209508485296201
Energy: 1.622716663462898
Energy: 1.5205878668225163
Energy: 1.4159625894091459
Energy: 1.4540993501780202
Energy: 1.4196960066618707
Energy: 1.4195026023576895
Energy: 1.4157720034457422
Energy: 1.4200218121263914
Energy: 1.4191347054327497
Energy: 1.2734577612456346
Energy: 1.41595539555047
Energy: 1.415337859931294
Energy: 1.4498100238637766
Energy: 1.4161514294985824
Energy: 1.504123680567756

minimum gb energy = 1.2734577612456346 eV
minimum distance =  2.24764824762566 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.196950422273343
Energy: 1.5353095382471924
Energy: 1.4426450881148034
Energy: 1.5217156820706197
Energy: 1.4414735285077758
Energy: 1.5356455369234134
Energy: 1.3999081093649557
Energy: 1.5885266926702197
Energy: 1.4420519359316357
Energy: 1.402245594962421
Energy: 1.5003795699387745
Energy: 1.5880416596451272
Energy: 1.4670951827849108
Energy: 1.5734689136875595
Energy: 1.5748762446694402
Energy: 1.4030413862656983
Energy: 1.5735064216825803
Energy: 1.6432134093239412
Energy: 1.6508931117547048
Energy: 1.5740997242199808
Energy: 1.5737357919270694
Energy: 1.488866327480405
Energy: 1.573974456479857
Energy: 1.573768865210617
Energy: 1.637527500850542
Energy: 1.5887945040767972
Energy: 1.53742557062916
Energy: 1.403325969015431
Energy: 1.594900591616588
Energy: 1.6620736334572432
Energy: 1.6578383179038347
Energy: 1.5726754790392807
Energy: 1.5779053042004287
Energy: 1.4034867315149457
Energy: 1.574858383273985
Energy: 1.6142660019557682
Energy: 1.4980037633424135
Energy: 1.573484044296448
Energy: 1.62598091562509
Energy: 1.6138622252370618
Energy: 1.5881395521499588
Energy: 1.6076997986908261
Energy: 1.499085564153069
Energy: 1.575218764864172
Energy: 1.5023615248436561
Energy: 1.40224879768474
Energy: 1.5750957891759227
Energy: 1.6074089895179402
Energy: 1.3969054919206705
Energy: 1.5011961300777101
Energy: 1.4413533544623847
Energy: 1.4022061096469653
Energy: 1.441199753894628
Energy: 1.587857831912843
Energy: 1.338228379199957
Energy: 1.4414623960351844
Energy: 1.4421079103973375
Energy: 1.437851692039184
Energy: 1.4416753481481082
Energy: 1.5772501875344334
Energy: 1.4376395549885692
Energy: 1.5879149977628366
Energy: 1.5009801672451837
Energy: 1.4717644292589855
Energy: 1.5005184466240336
Energy: 1.5753556683292624
Energy: 1.438699475347494
Energy: 1.6207828286988541
Energy: 1.6231328303911796
Energy: 1.498897926982771
Energy: 1.6211839253262668
Energy: 1.6069530343955023
Energy: 1.7425868472737878
Energy: 1.624880841760192
Energy: 1.6223590111056718
Energy: 1.4994757862116677
Energy: 1.6258453806778181
Energy: 1.6908094810837244
Energy: 1.5126082967661056
Energy: 1.6212578911303324
Energy: 1.573900129018699
Energy: 1.5121430234516549
Energy: 1.574526644708081
Energy: 1.4388071851973872
Energy: 1.4376616466173668
Energy: 1.4421036278569959
Energy: 1.5971820146769595
Energy: 1.4480523882766112
Energy: 1.5002170428463113
Energy: 1.4857478599073548
Energy: 1.4015680808656144
Energy: 1.441925902589723
Energy: 1.5161546583066943
Energy: 1.4456723368423634
Energy: 1.441435975558879
Energy: 1.461961919403302
Energy: 1.4030143261006436
Energy: 1.500781419268387
Energy: 1.5877440625068455
Energy: 1.4993201298015755
Energy: 1.5880551240143002
Energy: 1.441957945527953
Energy: 1.550424999923169
Energy: 1.5727464488168228
Energy: 1.6442261452708
Energy: 1.6300261489755543
Energy: 1.5729945518493285
Energy: 1.5727498067181809
Energy: 1.5062330391088639
Energy: 1.5729730272416802
Energy: 1.5733950603732458
Energy: 1.6433596448313443
Energy: 1.5724438549977926
Energy: 1.5745935450106263
Energy: 1.4508867012258464
Energy: 1.5375513841016544
Energy: 1.612189570756975
Energy: 1.512442640405368
Energy: 1.589164638500892
Energy: 1.451411863945729
Energy: 1.448224982173328
Energy: 1.5737233014537197
Energy: 1.5728887563694425
Energy: 1.6443434211877423
Energy: 1.573160627022373
Energy: 1.594825238071828
Energy: 1.3413894419561943
Energy: 1.5732852570474234
Energy: 1.606820199371177
Energy: 1.631175889912847
Energy: 1.5745642100741801
Energy: 1.6151421052087027
Energy: 1.364827293340285
Energy: 1.5006766005373544
Energy: 1.5742620648618493
Energy: 1.4997531260507404
Energy: 1.5736070973841725
Energy: 1.5010054913982043
Energy: 1.4014131745449463
Energy: 1.4413453546309987
Energy: 1.577081400605627
Energy: 1.3967732057857825
Energy: 1.4410943265859335
Energy: 1.4413905251964596
Energy: 1.4377196246099977
Energy: 1.4413430629226163
Energy: 1.5009299850065527
Energy: 1.3968336451486838
Energy: 1.441933123833352
Energy: 1.4411922105748658
Energy: 1.4680621497102975
Energy: 1.500002860386602
Energy: 1.6067463283737586
Energy: 1.498682286227317
Energy: 1.5730241960861704
Energy: 1.5166801083336692
Energy: 1.4977311346866837
Energy: 1.6207927607860506
Energy: 1.6210500298272101
Energy: 1.4993003339598527
Energy: 1.6215533024101343
Energy: 1.621095241412383
Energy: 1.4984101379556802
Energy: 1.620610290260569
Energy: 1.624709547695444
Energy: 1.6778951451608832
Energy: 1.6207494502133206
Energy: 1.6075213725806625
Energy: 1.4992306086506353
Energy: 1.5877615029051702
Energy: 1.5235980369306361
Energy: 1.5001918112166135
Energy: 1.53778664334131
Energy: 1.5759250773031743
Energy: 1.3364383545108889
Energy: 1.4413978150365068
Energy: 1.4415306684656604
Energy: 1.4383213676073023
Energy: 1.4418357298368139
Energy: 1.5163209992030426

minimum gb energy = 1.3364383545108889 eV
minimum distance =  2.22769300836831 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.810803592759359
Energy: 1.5714442213687347
Energy: 1.4831718751841252
Energy: 1.3555765996506164
Energy: 1.482349913060532
Energy: 1.5716470843078418
Energy: 1.2901331376592835
Energy: 1.570414319198991
Energy: 1.526081662437215
Energy: 1.306370692041403
Energy: 1.4781040186677419
Energy: 1.4853724888907855
Energy: 1.307632188550236
Energy: 1.4797879453218263
Energy: 1.4790156097831588
Energy: 1.3070632627844903
Energy: 1.4805057380657018
Energy: 1.528473399616674
Energy: 1.471961598834373
Energy: 1.4794482015173398
Energy: 1.4794179579793258
Energy: 1.3097543852886668
Energy: 1.479694428233375
Energy: 1.4785135757251306
Energy: 1.3077455993886804
Energy: 1.4836326434839926
Energy: 1.481572331716126
Energy: 1.3066485199135098
Energy: 1.5734439785112946
Energy: 1.4830539913166934
Energy: 1.3543186431169663
Energy: 1.4789721578775594
Energy: 1.5703502422251718
Energy: 1.3082703377660374
Energy: 1.5682842854082448
Energy: 1.4832429328484573
Energy: 1.3555109015533595
Energy: 1.4831937424729822
Energy: 1.5716366527522014
Energy: 1.8107288022308838
Energy: 1.4839888078633912
Energy: 1.6101866897273183
Energy: 1.3053664197477695
Energy: 1.4795934590431579
Energy: 1.5703963457738506
Energy: 1.3080495680731783
Energy: 1.5684978490869688
Energy: 1.307970838171481
Energy: 1.306627826960808
Energy: 1.4804511648635688
Energy: 1.479406620427357
Energy: 1.3074891373965496
Energy: 1.4806527478968396
Energy: 1.5696445804015617
Energy: 1.3112798135201307
Energy: 1.4795871444401578
Energy: 1.4784433785952131
Energy: 1.3540462552422945
Energy: 1.4798780306640844
Energy: 1.4790787764662239
Energy: 1.306649940336564
Energy: 1.5722001344778682
Energy: 1.4835295040620733
Energy: 1.3077844922938306
Energy: 1.5684110597191694
Energy: 1.5274506313857033
Energy: 1.3081208463154395
Energy: 1.5687814484295854
Energy: 1.4820201273830178
Energy: 1.3544887568946475
Energy: 1.4790116082210392
Energy: 1.5698260580585892

minimum gb energy = 1.2901331376592835 eV
minimum distance =  2.2635897622055 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.4918388136616643
Energy: 1.5320741563296776
Energy: 1.400465837020031
Energy: 1.4777530712807154
Energy: 1.4423732513495804
Energy: 1.6133511971165928
Energy: 1.4496678498981181
Energy: 1.7103919820331208
Energy: 1.4392672660839672
Energy: 1.4708042764432343
Energy: 1.4397287215484624
Energy: 1.5131401657595815
Energy: 1.5123904846748366
Energy: 1.6918386865763764
Energy: 1.6782216616593955
Energy: 1.4426112554946178
Energy: 1.674800760225599
Energy: 1.4407678537172648
Energy: 1.352481610274892
Energy: 1.6795544714115485
Energy: 1.6792961073061239
Energy: 1.442174912444198
Energy: 1.6697438198163026
Energy: 1.6886938086407017
Energy: 1.4404151775596288
Energy: 1.6780313507050821
Energy: 1.693478656399347
Energy: 1.5437644597021811
Energy: 1.6700061038331562
Energy: 1.5620560307364018
Energy: 1.4388751456622528
Energy: 1.439479484222916
Energy: 1.676113795246851
Energy: 1.4885277916159947
Energy: 1.44064764717674
Energy: 1.4391364129791702
Energy: 1.4009695969938136
Energy: 1.4409286273729696
Energy: 1.576629014190344
Energy: 1.6340342399570973
Energy: 1.4414864006456711
Energy: 1.4013629239372538
Energy: 1.3872496335918876
Energy: 1.439182491739386
Energy: 1.655503148170218
Energy: 1.4887973920875908
Energy: 1.4406281842332855
Energy: 1.391461062500187
Energy: 1.4027965767568753
Energy: 1.6494199835807084
Energy: 1.647073506158038
Energy: 1.5437300662331985
Energy: 1.635730789524419
Energy: 1.400534472161331
Energy: 1.4020088512077842
Energy: 1.6477226671719984
Energy: 1.6329069858203868
Energy: 1.4262332137318448
Energy: 1.634275665924194
Energy: 1.6545978545834854
Energy: 1.4744653018235643
Energy: 1.6457619352348944
Energy: 1.6321842388074284
Energy: 1.5194769173046616
Energy: 1.63214685073632
Energy: 1.4048785620916053
Energy: 1.4034597672844302
Energy: 1.5997371123148918
Energy: 1.5596191750440145
Energy: 1.5418604694183742
Energy: 1.5603162542618674
Energy: 1.474794023025085
Energy: 1.4352327653928068
Energy: 1.562919790802917
Energy: 1.529792771462353
Energy: 1.452224631748244
Energy: 1.5622560459807175
Energy: 1.6779310996435928
Energy: 1.4038479038244918
Energy: 1.563083802527058
Energy: 1.527311505929659
Energy: 1.453493068890772
Energy: 1.56054400459047
Energy: 1.6381168558918195
Energy: 1.4765925614413642
Energy: 1.6261314023978908
Energy: 1.4549239428163818
Energy: 1.4541772185509345
Energy: 1.5620344175520418
Energy: 1.4938010189231243
Energy: 1.521488316651618
Energy: 1.5614805780334013
Energy: 1.5640970326819872
Energy: 1.4527719436213686
Energy: 1.5613416713895818
Energy: 1.5970016050348261
Energy: 1.3513884971752608
Energy: 1.5603361882472007
Energy: 1.561523167642167
Energy: 1.4899524034120706
Energy: 1.5598443135628417
Energy: 1.5959494567297676
Energy: 1.4967327893318698
Energy: 1.6325859303687469
Energy: 1.5621178526153048
Energy: 1.4428067922956782
Energy: 1.6322476370678345
Energy: 1.4975491840532165
Energy: 1.402671615985722
Energy: 1.6565754926023266
Energy: 1.6782682158795783
Energy: 1.5597195460202296
Energy: 1.6432170233894416
Energy: 1.3939559710175462
Energy: 1.4042370805054352
Energy: 1.6360856522938354
Energy: 1.7337744373759425
Energy: 1.5128171629285514
Energy: 1.632709768879193
Energy: 1.5901750538772292
Energy: 1.4003768379402022
Energy: 1.3991552929325723
Energy: 1.65330154684543
Energy: 1.5408026401885409
Energy: 1.6567259279434807
Energy: 1.3993477226000297
Energy: 1.3912497081677557
Energy: 1.4402130846495254
Energy: 1.516181453104393
Energy: 1.3476041599476765
Energy: 1.4398459488332076
Energy: 1.392657896932858
Energy: 1.4363935241382029
Energy: 1.4392916797876307
Energy: 1.6036996810995772
Energy: 1.347098319145678
Energy: 1.4390906591953398
Energy: 1.4392940997940058
Energy: 1.4406388069916838
Energy: 1.6797177114025754
Energy: 1.7405064500331782
Energy: 1.5133810063342312
Energy: 1.6725664687061366
Energy: 1.4420318441691191
Energy: 1.4399439658470532
Energy: 1.7040344476017957
Energy: 1.6891463007097518
Energy: 1.4407589317741387
Energy: 1.6786806807758712
Energy: 1.690445714893498
Energy: 1.4404297396069616
Energy: 1.679957395933861
Energy: 1.6830185615158602
Energy: 1.3530055654048931
Energy: 1.6865372407544053
Energy: 1.4415306978776603
Energy: 1.488244195106016
Energy: 1.6731886997207979
Energy: 1.4403624244877293
Energy: 1.440042098563793
Energy: 1.4418505555920538
Energy: 1.5121510859555274
Energy: 1.537386051156088
Energy: 1.439404346686883
Energy: 1.4400400461500513
Energy: 1.4108778917823752
Energy: 1.4398091411349019
Energy: 1.5598985403707877
Energy: 1.4006630755066225
Energy: 1.439148697961936
Energy: 1.4388655027161885
Energy: 1.3868801845054677
Energy: 1.4392335422798754
Energy: 1.5594513002395374
Energy: 1.5108074693499232
Energy: 1.6369201827630722
Energy: 1.4013872076044833
Energy: 1.4018758818255872
Energy: 1.6562060294426977
Energy: 1.5599674857387489
Energy: 1.532971893301742
Energy: 1.6318241813845287
Energy: 1.6475390819636118
Energy: 1.398779059797905
Energy: 1.6318601790313376
Energy: 1.7340436377304633
Energy: 1.5232503907595827
Energy: 1.634994683264079
Energy: 1.6629851182246125
Energy: 1.4045800686314414
Energy: 1.6474491365356747
Energy: 1.6630095718992641
Energy: 1.5140011384027379
Energy: 1.5613239082091757
Energy: 1.6477746051827442
Energy: 1.4983494873005803
Energy: 1.6366536946311532
Energy: 1.5108996959401164
Energy: 1.4658063579425746
Energy: 1.5613318720285292
Energy: 1.5609948645406513
Energy: 1.3943167958119553
Energy: 1.5610055639595783
Energy: 1.5086902669950977
Energy: 1.452890035112425
Energy: 1.5597963247009092
Energy: 1.5603443547736857
Energy: 1.536828856038568
Energy: 1.5600262759916341
Energy: 1.5235508796245134
Energy: 1.4490356410916119
Energy: 1.532471640300447
Energy: 1.6182389940120423
Energy: 1.4974411254973343
Energy: 1.6246316068931868
Energy: 1.452208415545971
Energy: 1.4962333791588256
Energy: 1.560186355270333
Energy: 1.5639315056721979
Energy: 1.3518845784272302
Energy: 1.5599172547892652
Energy: 1.5615434323938917
Energy: 1.4536487944816465
Energy: 1.5799597575243027
Energy: 1.597545828743629
Energy: 1.4236156839630116
Energy: 1.5611365829000594
Energy: 1.4845168888694746
Energy: 1.5126963722675715
Energy: 1.5628933394757119
Energy: 1.605773430966655
Energy: 1.4779072219860168
Energy: 1.6363862924262214
Energy: 1.5117164573058817
Energy: 1.436465028056791
Energy: 1.6342058504233903
Energy: 1.6632682126306282
Energy: 1.4061869392147548
Energy: 1.6414009648592731
Energy: 1.632793653551582
Energy: 1.4411222506528436
Energy: 1.6321760970195227
Energy: 1.6550334887981424
Energy: 1.4023252619470585
Energy: 1.6326951898597861
Energy: 1.6315873418076503
Energy: 1.51112337808146
Energy: 1.636335724895814
Energy: 1.4010722623216356
Energy: 1.4022360546684913
Energy: 1.6565829852861311
Energy: 1.5111479256402052
Energy: 1.4902058069315969
Energy: 1.4398573157053678
Energy: 1.4395746617009406
Energy: 1.3861673661788207
Energy: 1.4398621291974585
Energy: 1.5498439175974992

minimum gb energy = 1.347098319145678 eV
minimum distance =  2.22661951381433 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.4481968696481453
Energy: 1.5861123753674868
Energy: 1.2732214098287193
Energy: 1.2751883692396304
Energy: 1.4298949326960766
Energy: 1.5947730583860034
Energy: 1.249347887527775
Energy: 1.5706521618205038
Energy: 1.425970377812489
Energy: 1.2433760233013678
Energy: 1.4257103467218215
Energy: 1.5686116455185806
Energy: 1.2460874752974127
Energy: 1.5794328701720648
Energy: 1.580149128427216
Energy: 1.2512995930526334
Energy: 1.579965054741669
Energy: 1.4285189181650797
Energy: 1.2414832528128807
Energy: 1.5798348022544282
Energy: 1.5792477206259017
Energy: 1.2515752616099947
Energy: 1.5796062538250168
Energy: 1.2372807143020474
Energy: 1.2420021111494988
Energy: 1.4721491877024202
Energy: 1.5793043848657606
Energy: 1.24643637230917
Energy: 1.5796656462480774
Energy: 1.4731226810060036
Energy: 1.24256219005025
Energy: 1.4257398403193657
Energy: 1.5936284915168732
Energy: 1.2476643671258851
Energy: 1.4264926756903955
Energy: 1.4249977690065905
Energy: 1.2705556694861804
Energy: 1.4296919789380587
Energy: 1.433979844563243
Energy: 1.4205065386703875
Energy: 1.4287016483959367
Energy: 1.272111005104498
Energy: 1.2745772863444447
Energy: 1.4258040580870854
Energy: 1.589840321411395
Energy: 1.4285207974871805
Energy: 1.4269724737420353
Energy: 1.4247193543925567
Energy: 1.2718629892630728
Energy: 1.2722884719992504
Energy: 1.5794431528579929
Energy: 1.2483897731369848
Energy: 1.5891899241863172
Energy: 1.2731893059954722
Energy: 1.2730727140047613
Energy: 1.4291566202289292
Energy: 1.5653945535603275
Energy: 1.4240139006661534
Energy: 1.427812656463758
Energy: 1.2732133580373148
Energy: 1.2446438665525046
Energy: 1.4269472573737707
Energy: 1.5660180611192334
Energy: 1.239266031837701
Energy: 1.4258204758677575
Energy: 1.247076902337755
Energy: 1.2486051955860384
Energy: 1.5856374589028939
Energy: 1.5809188179809572
Energy: 1.2452691511431027
Energy: 1.5842708012097935
Energy: 1.4301420405982455
Energy: 1.2461886242308822
Energy: 1.5810410051026933
Energy: 1.4727978329307274
Energy: 1.430415264232896
Energy: 1.5842758693953665
Energy: 1.580741610411105
Energy: 1.2483181702494943
Energy: 1.5815417889367562
Energy: 1.4700476376853413
Energy: 1.2415004366820153
Energy: 1.580600291446637
Energy: 1.4694877890840723
Energy: 1.2478700942726835
Energy: 1.5825558518179106
Energy: 1.4282434308356249
Energy: 1.2492498789018507
Energy: 1.427819541023334
Energy: 1.5672497609569962
Energy: 1.2334663988524461
Energy: 1.427532265297154
Energy: 1.4297535272963382
Energy: 1.2510728294202735
Energy: 1.429129017551511
Energy: 1.4657007975750957
Energy: 1.2331662273845456
Energy: 1.4254415339069304
Energy: 1.4262574483398347
Energy: 1.2740556297203918
Energy: 1.4259991282441495
Energy: 1.5655798608800882
Energy: 1.2444169270781027
Energy: 1.5876843839058403
Energy: 1.2722726101472583
Energy: 1.2700015798115025
Energy: 1.4322251664400976
Energy: 1.566293908268219
Energy: 1.2366201550572646
Energy: 1.5660171893120514
Energy: 1.4255575040198758
Energy: 1.2735028458023931
Energy: 1.4259600857766779
Energy: 1.584892378295978

minimum gb energy = 1.2331662273845456 eV
minimum distance =  2.22214799480629 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.6912649761009901
Energy: 1.1587425922564705
Energy: 1.1705796864147189
Energy: 1.2524577903950032
Energy: 1.1657060578724943
Energy: 1.1600684198038316
Energy: 1.5599263243263586
Energy: 1.4745072124278924
Energy: 1.3004925063860755
Energy: 1.349798825602223
Energy: 1.2996853370189765
Energy: 1.5073868603086473
Energy: 1.3604794161399705
Energy: 1.4698900106168464
Energy: 1.472670441380405
Energy: 1.1590309310023434
Energy: 1.4699649691889953
Energy: 1.5233845948263183
Energy: 1.5566917912806022
Energy: 1.4703194813139016
Energy: 1.4730367407785012
Energy: 1.160784174200332
Energy: 1.469346527179222
Energy: 1.5018185236868653
Energy: 1.556392637525841
Energy: 1.4701941179895193
Energy: 1.4710466073706974
Energy: 1.3510525839143424
Energy: 1.4689019822807148
Energy: 1.5018533510962717
Energy: 1.3584199029340778
Energy: 1.4739421539510007
Energy: 1.4756700701548118
Energy: 1.3548602717993907
Energy: 1.4742519504912004
Energy: 1.5325855109954125
Energy: 1.3628809509324709
Energy: 1.3610325358133006
Energy: 1.4700235496920087
Energy: 1.361844966299016
Energy: 1.4699458356701456
Energy: 1.3592543654936697
Energy: 1.1530217877906859
Energy: 1.4714721910462933
Energy: 1.474027042173502
Energy: 1.428351708161936
Energy: 1.4750133813408026
Energy: 1.3623901963851235
Energy: 1.3613898471129053
Energy: 1.2992218669377957
Energy: 1.5073477967644926
Energy: 1.3034138280214975
Energy: 1.4715782902356223
Energy: 1.3004333400112502
Energy: 1.1539783069720606
Energy: 1.2999682197225608
Energy: 1.2992650394955612
Energy: 1.5229725232585882
Energy: 1.2990881719993184
Energy: 1.1661537993799316
Energy: 1.1674753299972842
Energy: 1.2985637773850969
Energy: 1.2982420066418368
Energy: 1.3643405000606255
Energy: 1.2977482973751309
Energy: 1.2985750767453956
Energy: 1.1614614145822983
Energy: 1.2990776718068278
Energy: 1.505844378483031
Energy: 1.471264666877905
Energy: 1.434315087917698
Energy: 1.1654354075412054
Energy: 1.1694615006400426
Energy: 1.2983409623458573
Energy: 1.4739041056376483
Energy: 1.163750248783023
Energy: 1.2987006007744828
Energy: 1.1671020577543396
Energy: 1.1574150662931133
Energy: 1.16495322107995
Energy: 1.4259878588216381
Energy: 1.1508187336013047
Energy: 1.300306971898064
Energy: 1.1564385554213128
Energy: 1.3609478172069693
Energy: 1.2994851520792268
Energy: 1.5070725850235536
Energy: 1.301875240360334
Energy: 1.4731631989697997
Energy: 1.3014308944632151
Energy: 1.3615781873295434
Energy: 1.4704564430365639
Energy: 1.523288847833994
Energy: 1.532680751327688
Energy: 1.4711842650031517
Energy: 1.3648111118453217
Energy: 1.3620914094772945
Energy: 1.4729004263842196
Energy: 1.5016256501102943
Energy: 1.5041723908303835
Energy: 1.4701778588235939
Energy: 1.360658641244634
Energy: 1.3558163648902162
Energy: 1.4706558833288201
Energy: 1.5232023192955604
Energy: 1.5351873994754428
Energy: 1.469913647089452
Energy: 1.471627025831741
Energy: 1.3597643716186847
Energy: 1.4698279222166317
Energy: 1.4701721044082579
Energy: 1.154997938103228
Energy: 1.4703380297945554
Energy: 1.4752256217018833
Energy: 1.353798118342929
Energy: 1.4694039483570456
Energy: 1.3618427842829415
Energy: 1.2994899568098492
Energy: 1.471594167377853
Energy: 1.4693844499170057
Energy: 1.5646729939047117
Energy: 1.4695814967307064
Energy: 1.3630352050504781
Energy: 1.1539122136215578
Energy: 1.4689671716949912
Energy: 1.480826075281198
Energy: 1.3629000826860327
Energy: 1.4732636146934976
Energy: 1.2991725185166818
Energy: 1.3558195428219793
Energy: 1.2985847532251253
Energy: 1.506440611132704
Energy: 1.352443294244107
Energy: 1.300353778977672
Energy: 1.1696811783480583
Energy: 1.158350285862712
Energy: 1.300292504892934
Energy: 1.4697579410516564
Energy: 1.5553441544294924
Energy: 1.2988699702437771
Energy: 1.2983381118635975
Energy: 1.1678885836346544
Energy: 1.2985586957434203
Energy: 1.5079070471458156
Energy: 1.5605370398065965
Energy: 1.4345158628199057
Energy: 1.1655151020139196
Energy: 1.1627667311600864
Energy: 1.3003059916218873
Energy: 1.507349462840244
Energy: 1.1605617490329263
Energy: 1.298192709407552
Energy: 1.166471303083517
Energy: 1.168121389864815
Energy: 1.2989348492809318
Energy: 1.4264812978076247

minimum gb energy = 1.1508187336013047 eV
minimum distance =  2.20480228954021 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.9570887355289346
Energy: 1.0588101081553254
Energy: 1.0697330870845454
Energy: 1.0695792626544585
Energy: 1.0694869316334317
Energy: 1.3747323959519282
Energy: 1.3681585343371399
Energy: 1.3653474224291209
Energy: 1.1843433601750963
Energy: 1.219766374710377
Energy: 1.185108122621954
Energy: 1.365390041045996
Energy: 1.5774078278257264
Energy: 1.3663347327864643
Energy: 1.3289397286265465
Energy: 1.1797734275341125
Energy: 1.3269797226824382
Energy: 1.367318374565078
Energy: 1.7744919801478622
Energy: 1.3271882534282304
Energy: 1.3284123539134653
Energy: 1.1800835648844339
Energy: 1.3274226002732867
Energy: 1.3615994179962756
Energy: 1.774950499085457
Energy: 1.3276790888620973
Energy: 1.3268556258387543
Energy: 1.3737890463965992
Energy: 1.3269364677515338
Energy: 1.3622024636343657
Energy: 1.576771036157799
Energy: 1.3679751862716134
Energy: 1.336933834488548
Energy: 1.3753728808820045
Energy: 1.3683666883083896
Energy: 1.3679250384625186
Energy: 1.5767181356529882
Energy: 1.3687626708634224
Energy: 1.3675907631170738
Energy: 1.3673926594482175
Energy: 1.3677390499688347
Energy: 1.4012475003754263
Energy: 1.3700396978082545
Energy: 1.3674716685610515
Energy: 1.3680759895869243
Energy: 1.3279763180868143
Energy: 1.3788536644116924
Energy: 1.362466991952151
Energy: 1.576246197659974
Energy: 1.3369423906609204
Energy: 1.3690857322783037
Energy: 1.364734180105515
Energy: 1.3690770042003042
Energy: 1.3378679586286204
Energy: 1.3799190576728468
Energy: 1.2420543486931341
Energy: 1.3274368140873252
Energy: 1.3882507913842608
Energy: 1.3271573977610256
Energy: 1.3746236559784593
Energy: 1.2255497717927917
Energy: 1.3274428321921303
Energy: 1.3281274898402424
Energy: 1.3719012077495925
Energy: 1.3275900318868805
Energy: 1.2425538806327112
Energy: 1.2274078124136456
Energy: 1.241700698150313
Energy: 1.364886766466276
Energy: 1.3676569598313473
Energy: 1.3272878842721225
Energy: 1.2415378029193211
Energy: 1.2172855352186085
Energy: 1.1792282688488267
Energy: 1.241374022986281
Energy: 1.3680065503255905
Energy: 1.1839429358048945
Energy: 1.1792385204047258
Energy: 1.0663810124818158
Energy: 1.1797035443081283
Energy: 1.3260370229703495
Energy: 1.327306994463681
Energy: 1.1795610012528395
Energy: 1.0683395872226031
Energy: 1.069917279130727
Energy: 1.178958928326502
Energy: 1.3654558628742488
Energy: 1.3680094878825342
Energy: 1.1792801679303844
Energy: 1.06965891828932
Energy: 1.0687470302864097
Energy: 1.1790503698550956
Energy: 1.3652482593850244
Energy: 1.3673824120884406
Energy: 1.0685263776294065
Energy: 1.0699704279191344
Energy: 1.0662512541586224
Energy: 1.0685700682886365
Energy: 1.2801291918845845
Energy: 1.4266287456500844
Energy: 1.1792912302738048
Energy: 1.0684569116503653
Energy: 1.2161925210846483
Energy: 1.179919272932419
Energy: 1.3291014821968772
Energy: 1.3705269966376066
Energy: 1.18342060521153
Energy: 1.2154289565482146
Energy: 1.2253199396061463
Energy: 1.3294981683760267
Energy: 1.3645496176063057
Energy: 1.3679512464707846
Energy: 1.3272622399086684
Energy: 1.2419363877221155
Energy: 1.2255327376664769
Energy: 1.3278923394114233
Energy: 1.327729208128582
Energy: 1.3611181537497827
Energy: 1.3276470934425952
Energy: 1.242523758599938
Energy: 1.2260201764114385
Energy: 1.3289614611624185
Energy: 1.360806997043189
Energy: 1.3616263828605941
Energy: 1.3272058734167465
Energy: 1.2418527408332611
Energy: 1.5841579934871952
Energy: 1.3376969072497156
Energy: 1.3694238450698555
Energy: 1.364972631669371
Energy: 1.3688228174608308
Energy: 1.3369424748904546
Energy: 1.5828161503985323
Energy: 1.367295337865416
Energy: 1.3377343741827659
Energy: 1.3763327992375631
Energy: 1.3685424555969337
Energy: 1.3672821581818622
Energy: 1.582197974393619
Energy: 1.368208901767011
Energy: 1.3677050586256683
Energy: 1.3638710052818566
Energy: 1.3680692101183765
Energy: 1.3484083575655426
Energy: 1.577314722966393
Energy: 1.367737762365363
Energy: 1.4015193010881046
Energy: 1.3752152278971976
Energy: 1.3680425172567976
Energy: 1.3674776809366354
Energy: 1.5660030217409069
Energy: 1.3278576709586771
Energy: 1.3268011932261567
Energy: 1.3735776554979533
Energy: 1.3272918280055668
Energy: 1.3357680432896875
Energy: 1.5689660907417988
Energy: 1.3272613202820036
Energy: 1.2419858738571592
Energy: 1.1794035052388958
Energy: 1.3274983823574704
Energy: 1.3272705066172863
Energy: 1.7855091344414245
Energy: 1.3272903507375506
Energy: 1.2426574126725531
Energy: 1.1796079891854447
Energy: 1.3269296144770886
Energy: 1.3671059703187158
Energy: 1.5763864391647555
Energy: 1.242079190589123
Energy: 1.1841320932947563
Energy: 1.2200474978310087
Energy: 1.180597674244709
Energy: 1.3663114059210046
Energy: 1.5661719209968528
Energy: 1.0687600508649069
Energy: 1.0649647222029515
Energy: 1.0650016989677222
Energy: 1.0687916070670613
Energy: 1.239226039831363
Energy: 1.576534278058914
Energy: 1.1799545000333729
Energy: 1.18234862108273
Energy: 1.0692685368434578
Energy: 1.1836517568175624
Energy: 1.3660906947060583
Energy: 1.7829756371037209
Energy: 1.3270726038812948
Energy: 1.0688029927241314
Energy: 1.0683382102554488
Energy: 1.0708833629320818
Energy: 1.3650179330037553
Energy: 1.7610538109491196
Energy: 1.1794815261152751
Energy: 1.0693412661415957
Energy: 1.0694410854089693
Energy: 1.1796038278068357
Energy: 1.2813210849240453

minimum gb energy = 1.0588101081553254 eV
minimum distance =  2.2042540400437 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.8335964939250216
Energy: 0.9328637492256895
Energy: 0.9376506289505219
Energy: 1.0527515079458458
Energy: 0.9372442529793205
Energy: 1.1734478904371652
Energy: 1.7165656911003708
Energy: 1.1662348293510143
Energy: 1.0233041324708223
Energy: 1.039104340646915
Energy: 1.0191811214893087
Energy: 1.1662796618440163
Energy: 1.9066132749899394
Energy: 1.1646292239721294
Energy: 1.059616914137345
Energy: 1.0621176807195334
Energy: 1.061658642682181
Energy: 1.1773613604739437
Energy: 1.712555252830827
Energy: 1.0610126501601147
Energy: 1.0601692829121563
Energy: 0.9358263453049285
Energy: 1.0628623774989618
Energy: 1.162838036576998
Energy: 1.712777768138373
Energy: 1.0611603657043085
Energy: 1.1311233736118491
Energy: 1.1578109466984605
Energy: 1.0623370697050483
Energy: 1.1633617070990003
Energy: 1.904740945554633
Energy: 1.1764734067183746
Energy: 1.1565792529689216
Energy: 1.1582036985408255
Energy: 1.180974690194381
Energy: 1.176612347777857
Energy: 1.891487395832931
Energy: 1.1800191427059408
Energy: 1.178471583769706
Energy: 1.1770956080736987
Energy: 1.1815820157336865
Energy: 1.210638448933902
Energy: 1.4195922028427304
Energy: 1.1765825601161812
Energy: 1.191235773099343
Energy: 1.0765895764542763
Energy: 1.1771927776780713
Energy: 1.1855840658080272
Energy: 1.888501555843127
Energy: 1.2059033629227507
Energy: 1.1767370004427236
Energy: 1.1774016527842102
Energy: 1.20265952486832
Energy: 1.1904078726658591
Energy: 1.7362305932714328
Energy: 1.1886644408080467
Energy: 1.1887801477452553
Energy: 1.1890072574490504
Energy: 1.1888537787525773
Energy: 1.1888407739157323
Energy: 1.419812112368798
Energy: 1.1882048994017942
Energy: 1.1880490404895387
Energy: 1.2051323066689223
Energy: 1.1900665232090912
Energy: 1.187634472109823
Energy: 1.4205552414367586
Energy: 1.1885233329476286
Energy: 1.188800552413511
Energy: 1.1876003381581308
Energy: 1.1893090549669532
Energy: 1.1884791979480478
Energy: 1.5884142690529408
Energy: 1.1784707228081286
Energy: 1.2035448226736716
Energy: 1.1911105823556045
Energy: 1.1766369793606102
Energy: 1.1776242755274746
Energy: 1.2860105944614209
Energy: 1.1797918647940262
Energy: 1.1765123670440594
Energy: 1.1884073212231603
Energy: 1.177237717662223
Energy: 1.196847587509404
Energy: 1.1483312531901757
Energy: 1.1800777488704848
Energy: 1.1908982427442893
Energy: 1.1892475445666082
Energy: 1.1995080958590925
Energy: 1.1871863462312238
Energy: 1.286002971252777
Energy: 1.157454341716943
Energy: 1.177897606545012
Energy: 1.1878418205330976
Energy: 1.1778259600561565
Energy: 1.1402297611011
Energy: 1.2851361156732803
Energy: 1.0597065371861774
Energy: 1.176143774678563
Energy: 1.1771740786491336
Energy: 1.0606308893517722
Energy: 1.1589282961764944
Energy: 1.049184802650116
Energy: 1.0614892986798325
Energy: 1.1397764629346785
Energy: 1.191401075969341
Energy: 1.1309019755228904
Energy: 1.059973085529637
Energy: 1.0507735609317133
Energy: 1.0584661842550434
Energy: 1.1655527388787266
Energy: 1.1767104658231629
Energy: 1.1309216590725748
Energy: 0.9365748864418539
Energy: 1.040085570835887
Energy: 0.9382463333613481
Energy: 1.0184373316318385
Energy: 1.1792795040341453
Energy: 0.936609191448743
Energy: 0.9361383236074868
Energy: 0.9334561827001967
Energy: 0.935613444731975
Energy: 1.059635639394734
Energy: 1.1799098988366488
Energy: 0.9367388649279109
Energy: 0.9351591609964427
Energy: 0.9386238122194285
Energy: 0.9372661241407413
Energy: 1.1646806786957473
Energy: 1.178465646059139
Energy: 0.9366565326328141
Energy: 0.9359922652993159
Energy: 0.9376468412915541
Energy: 1.0166486189198212
Energy: 1.1655647161533156
Energy: 1.1791518220235444
Energy: 0.9368497726395248
Energy: 0.9367642942531339
Energy: 0.9348992366369051
Energy: 0.9351053099403112
Energy: 1.1630555092005124
Energy: 1.1641677127151362
Energy: 0.9357542213856275
Energy: 0.9354125106531987
Energy: 1.0401911854000963
Energy: 0.9362980457094334
Energy: 1.1677629659125348
Energy: 1.1914233753519696
Energy: 1.0193925337974952
Energy: 1.0388635646500777
Energy: 1.0504931003033173
Energy: 1.0613082615727392
Energy: 1.1656284847898641
Energy: 1.1778610021839104
Energy: 1.1655431101567504
Energy: 1.059929264623473
Energy: 1.0523340263729593
Energy: 1.0617268577153975
Energy: 1.0616413909118931
Energy: 1.1866167635161013
Energy: 1.060725678295344
Energy: 1.0609592599620046
Energy: 1.2837273277177377
Energy: 1.0610543692914
Energy: 1.162027419388789
Energy: 1.1869559806441425
Energy: 1.061339990063541
Energy: 1.0602383693584614
Energy: 1.285661334366146
Energy: 1.1578070379357002
Energy: 1.1769469708830893
Energy: 1.1885725026553173
Energy: 1.1770565038829914
Energy: 1.1555858095658538
Energy: 1.285976253803265
Energy: 1.179060952029823
Energy: 1.209174431932021
Energy: 1.1902433694705552
Energy: 1.2027219535673914
Energy: 1.1767714914538079
Energy: 1.2857625972534652
Energy: 1.177404502474617
Energy: 1.1856865235702663
Energy: 1.1877414263529953
Energy: 1.1777300878211634
Energy: 1.1560250218594985
Energy: 1.5695515821074912
Energy: 1.181277829916629
Energy: 1.209558773921802
Energy: 1.1909206634262632
Energy: 1.1784971108894131
Energy: 1.1769394765024197
Energy: 1.5722346573587156
Energy: 1.1885451446128052
Energy: 1.1884167804076513
Energy: 1.187720979014124
Energy: 1.18885853374964
Energy: 1.1875484333533275
Energy: 1.5740372896758503
Energy: 1.188724403838756
Energy: 1.1883045003994976
Energy: 1.190727127982393
Energy: 1.1899709437336696
Energy: 1.1876620787101968
Energy: 1.7374335418661013
Energy: 1.188564698930677
Energy: 1.1886372232335602
Energy: 1.1905416565560614
Energy: 1.1905844797062868
Energy: 1.1884037766825128
Energy: 1.875901101075501
Energy: 1.2045194214703276
Energy: 1.176837263515521
Energy: 1.1773933063992243
Energy: 1.1765300226784252
Energy: 1.2071883740387699
Energy: 1.5690285610877979
Energy: 1.176846959060425
Energy: 1.1567645329141834
Energy: 1.158755867526004
Energy: 1.1771536550346788
Energy: 1.1878474889670085
Energy: 1.907482327689004
Energy: 1.2184583309011348
Energy: 1.1772293099168798
Energy: 1.174756052468181
Energy: 1.1850720531746597
Energy: 1.1904956996483733
Energy: 1.7375985584969977
Energy: 1.1771018723035729
Energy: 1.1563625799552422
Energy: 1.1572777482457022
Energy: 1.17813743022601
Energy: 1.1769666191181558
Energy: 1.8691884413123314
Energy: 1.060723448464025
Energy: 1.159088018816386
Energy: 1.1578613149813919
Energy: 1.06135218399869
Energy: 1.1761174559164917
Energy: 1.8689169782802673
Energy: 1.129684311896378
Energy: 1.0594555461195208
Energy: 1.062331817642275
Energy: 1.0604321809535548
Energy: 1.1324656437688063
Energy: 1.9075652407537986
Energy: 1.164306726014221
Energy: 1.0592229303050498
Energy: 0.9367935542653414
Energy: 1.061369804734251
Energy: 1.1769515508136128
Energy: 1.8657061023979964
Energy: 1.0616070151815413
Energy: 0.936664903365556
Energy: 1.037897045631157
Energy: 0.9364036553537868
Energy: 1.1672536154715627
Energy: 1.8635142644514444
Energy: 0.9355116084922381
Energy: 0.9353713860514197
Energy: 0.9354171298095494
Energy: 0.9368295757977831
Energy: 1.177179700721101
Energy: 1.874977016907643
Energy: 1.1666029471983264
Energy: 0.9369745720011033
Energy: 0.937257115232663
Energy: 1.0168757203603513
Energy: 1.1652112918908113
Energy: 1.8913310898665143
Energy: 1.1652296943492637
Energy: 0.9369162084254957
Energy: 0.9366590259780907
Energy: 0.9369934221041126
Energy: 1.1647129720124183
Energy: 2.0185635135110194
Energy: 0.9366154357424652
Energy: 0.9353961216466691
Energy: 0.9340727932655883
Energy: 0.9357480068510268
Energy: 1.1632514832123548

minimum gb energy = 0.9328637492256895 eV
minimum distance =  2.26019423602903 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.31732081022411934
Energy: 0.28874047739407327
Energy: 0.43004776120732596
Energy: 0.43056939133583044
Energy: 0.43080941859972194
Energy: 0.28884242913342423
Energy: 0.2742139608410057
Energy: 0.42939643678880907
Energy: 0.4158198524821246
Energy: 0.41599290355010754
Energy: 0.4179230564034522
Energy: 0.4296150543802003
Energy: 1.6025495334888518
Energy: 0.4156549238139527
Energy: 0.41534094967256424
Energy: 0.415945330644199
Energy: 0.41481023335047124
Energy: 0.4152981660011335
Energy: 0.2748268749336022
Energy: 0.41483988920680276
Energy: 0.4153358896654793
Energy: 0.4302240590143813
Energy: 0.4141995548795597
Energy: 0.27410235448444714
Energy: 0.2739484208670941
Energy: 0.41441672968230375
Energy: 0.4148953470085157
Energy: 0.4153402744893784
Energy: 0.41350627460183015
Energy: 0.27392260311284894
Energy: 1.6024384568403358
Energy: 0.4151256758421963
Energy: 0.4154577992916289
Energy: 0.4305512646772488
Energy: 0.41488398553480754
Energy: 0.4149686248350484
Energy: 0.2740479240104096
Energy: 0.4160556596833237
Energy: 0.4157171225030554
Energy: 0.4159008716011377
Energy: 0.4158530504100753
Energy: 0.41589302633556663

minimum gb energy = 0.27392260311284894 eV
minimum distance =  2.43429199562638 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.0938356456053175
Energy: 1.0679791223501176
Energy: 0.9178753732795167
Energy: 0.9119678714558025
Energy: 0.8987880492452784
Energy: 1.1507384764496607
Energy: 1.7651794261517693
Energy: 0.9655266853903015
Energy: 0.901355384327694
Energy: 0.9050371647616356
Energy: 0.9015575171739846
Energy: 1.148401545091681
Energy: 1.7096879441267516
Energy: 1.114861830143408
Energy: 0.9113030149398522
Energy: 0.9146429422692188
Energy: 0.911335092976795
Energy: 1.061587763119761
Energy: 1.7323247313755936
Energy: 1.0134044187634395
Energy: 0.9039363444136033
Energy: 0.9059084106093314
Energy: 0.9010490733140905
Energy: 1.1218901402120285
Energy: 1.7316552079544167
Energy: 1.012946306867901
Energy: 1.0157435555274201
Energy: 1.0286750504395068
Energy: 1.015685221678723
Energy: 1.0167948914590412
Energy: 1.7098062814133779
Energy: 1.0626777903490823
Energy: 0.9043769360956451
Energy: 1.0291238922932058
Energy: 1.0158649324959912
Energy: 1.1348883855179657
Energy: 1.7021585637078456
Energy: 1.081159620333259
Energy: 1.016136159382642
Energy: 1.024251699583516
Energy: 1.0277516102717685
Energy: 1.1344677012083795
Energy: 1.723037812203775
Energy: 1.1346783104557507
Energy: 1.133843004438109
Energy: 1.0257901218833696
Energy: 1.1337502997722717
Energy: 1.1556678491577648
Energy: 1.6984633784150303
Energy: 1.0303378479395986
Energy: 1.0318144055695202
Energy: 1.145734956843342
Energy: 1.0311955428359763
Energy: 1.0824978036466946
Energy: 1.7107987525702806
Energy: 1.1620587954139188
Energy: 1.1353275285313102
Energy: 1.1490112781187887
Energy: 1.1334257526079936
Energy: 1.1619817541943953
Energy: 1.646039620286599
Energy: 1.1605297960143992
Energy: 1.1673217784221583
Energy: 1.030839348530629
Energy: 1.1618006622086767
Energy: 1.1608381643084127
Energy: 1.644206536206294
Energy: 1.160598662336832
Energy: 1.16383075930565
Energy: 1.1704407409882307
Energy: 1.160709827868441
Energy: 1.1609506344134466
Energy: 1.6903527046887008
Energy: 1.161137685051948
Energy: 1.1649819323449755
Energy: 1.157882870014189
Energy: 1.1633824737300873
Energy: 1.1732056596667642
Energy: 1.6886073528326273
Energy: 1.1683674198744223
Energy: 1.1606423134382724
Energy: 1.1625939009305748
Energy: 1.1711912389563037
Energy: 1.1686701280736338
Energy: 1.6146784018110052
Energy: 1.1687370689263523
Energy: 1.1929968741069097
Energy: 1.1655127148246693
Energy: 1.1684597019545768
Energy: 1.172010419859627
Energy: 1.5538291712668788
Energy: 1.1814366435349997
Energy: 1.1691671540762614
Energy: 1.167897055555316
Energy: 1.1680121846335556
Energy: 1.169804780776931
Energy: 1.5519315398475735
Energy: 1.158416646332777
Energy: 1.168300447623766
Energy: 1.1924326132358227
Energy: 1.171113993832199
Energy: 1.1587303221111975
Energy: 1.5508506551365617
Energy: 1.1630309403529884
Energy: 1.1582522790829328
Energy: 1.1778618942139136
Energy: 1.158773649274847
Energy: 1.1143718767651587
Energy: 1.5507470445999783
Energy: 1.1578242525463602
Energy: 1.158537426371616
Energy: 1.163007413356326
Energy: 1.1582294130910402
Energy: 1.159581657941726
Energy: 1.2876151851217839
Energy: 1.114129649622006
Energy: 1.1581542063002557
Energy: 1.1628107005595092
Energy: 1.1580347104974138
Energy: 1.0983995474538826
Energy: 1.2866007152080126
Energy: 1.0969719451333266
Energy: 1.1801578759545897
Energy: 1.1677315887846063
Energy: 1.0944128200814154
Energy: 1.0967841340352031
Energy: 1.286962768731495
Energy: 1.0970172236498965
Energy: 1.1581787545062852
Energy: 1.174092419488852
Energy: 1.0974090789307074
Energy: 1.101660272120594
Energy: 1.0860396128432617
Energy: 1.0997826156904398
Energy: 1.1430410152799568
Energy: 1.1647974896422175
Energy: 1.097754403724366
Energy: 1.1013376217925543
Energy: 1.0892023292560546
Energy: 1.078043126890231
Energy: 1.148134739717059
Energy: 1.1416682717490978
Energy: 1.0970646872814616
Energy: 1.0151532133445993
Energy: 1.088832923091384
Energy: 0.8976407888366457
Energy: 0.9497690445571261
Energy: 1.166811419585797
Energy: 0.8962476514665276
Energy: 0.8959835261363189
Energy: 1.0750638868132025
Energy: 1.0567583648336516
Energy: 1.1095021284896582
Energy: 1.1480886736593674
Energy: 1.1091719077696867
Energy: 1.0609385414296095
Energy: 0.9523379016738945
Energy: 0.9471923586206574
Energy: 1.1094759064762234
Energy: 1.1478893355168105
Energy: 1.1089444563280142
Energy: 0.9473616935417506
Energy: 0.9701195820232117
Energy: 0.9048095139879784
Energy: 1.1101820923542003
Energy: 1.167381702414458
Energy: 0.9023638186669302
Energy: 0.9090489143382978
Energy: 0.9714161695081452
Energy: 0.9702385431526795
Energy: 1.1487829653589496
Energy: 1.1691654282473205
Energy: 0.9752106659670732
Energy: 0.9089574993599139
Energy: 1.0442704138651802
Energy: 0.975132646100415
Energy: 1.1225019805541103
Energy: 1.1559827378245935
Energy: 0.9720153361059944
Energy: 0.9787517386744689
Energy: 1.0440233892236666
Energy: 0.9750537571412697
Energy: 1.1472716481629632
Energy: 1.1662469326623992
Energy: 0.9791551531427161
Energy: 0.9757993836482496
Energy: 1.036522950252783
Energy: 0.9780049974226895
Energy: 1.1535024799594635
Energy: 1.1670716588874162
Energy: 0.9658275045498196
Energy: 0.9781886688126364
Energy: 1.0272279362331347
Energy: 0.9772740286066793
Energy: 1.1311700899041146
Energy: 1.1671208407758968
Energy: 1.1309220667435373
Energy: 0.9773166720368172
Energy: 1.2781865232948844
Energy: 1.1349483955630666
Energy: 1.1307693471392397
Energy: 1.151274554502185
Energy: 1.1309827369819139
Energy: 1.1320787681320195
Energy: 1.2826693284748025
Energy: 1.132098020564944
Energy: 1.131440240524213
Energy: 1.1865277309672468
Energy: 1.1313612228997691
Energy: 1.1337226985512883
Energy: 1.2822891747709704
Energy: 1.159956516678675
Energy: 1.160151217770295
Energy: 1.1875645226685805
Energy: 1.1600515569057444
Energy: 1.146099954223835
Energy: 1.4353641830145938
Energy: 1.1652223474871781
Energy: 1.1611728273946902
Energy: 1.1677128262577392
Energy: 1.1604437478237233
Energy: 1.1613920367234696
Energy: 1.478010983785463
Energy: 1.1596888309591102
Energy: 1.1618643256830061
Energy: 1.1674291342275782
Energy: 1.1863902978209697
Energy: 1.1668974202625337
Energy: 1.5555373280474605
Energy: 1.1625037870589623
Energy: 1.1693128455634463
Energy: 1.1706161073338888
Energy: 1.1725519750268734
Energy: 1.1603426135381474
Energy: 1.5655117266204681
Energy: 1.169250865507165
Energy: 1.1690496196027387
Energy: 1.165583476246762
Energy: 1.1740374590466103
Energy: 1.1696186500598253
Energy: 1.6406986045318215
Energy: 1.1689740883361235
Energy: 1.1693145556356865
Energy: 1.1693021099111722
Energy: 1.1709952757704043
Energy: 1.1692464832330847
Energy: 1.6408967994104329
Energy: 1.1689055299775055
Energy: 1.1689858876772552
Energy: 1.1656424104858818
Energy: 1.1716325301290995
Energy: 1.1685990246357625
Energy: 1.6915303402424333
Energy: 1.1785318095532147
Energy: 1.1625256294094197
Energy: 1.1633580783819617
Energy: 1.1618531951807411
Energy: 1.1701572923638535
Energy: 1.7000284056870865
Energy: 1.161236769422311
Energy: 1.1650321490372137
Energy: 1.1054127012929442
Energy: 1.1660183117095435
Energy: 1.172760619517844
Energy: 1.7641402503145605
Energy: 1.162178721623333
Energy: 1.1618067495651965
Energy: 1.1634686017245597
Energy: 1.160464377563958
Energy: 1.1650170548663505
Energy: 1.6993365078076952
Energy: 1.1610924499188617
Energy: 1.1477732141594938
Energy: 1.1590994192191706
Energy: 1.17853880118122
Energy: 1.161230234024456
Energy: 1.6918044135887826
Energy: 1.0829144650248894
Energy: 1.0326384731162783
Energy: 1.0287646542377977
Energy: 1.1340111746042325
Energy: 1.1514942492961022
Energy: 1.8447918416412288
Energy: 1.1336331237034911
Energy: 1.1348544959249234
Energy: 1.1491590730695649
Energy: 1.1332696577847698
Energy: 1.0916115595067615
Energy: 1.736622805555912
Energy: 1.133450408720303
Energy: 1.018887254314642
Energy: 1.0267454440905008
Energy: 1.0302947795049662
Energy: 1.0914152084887925
Energy: 1.7098492694319094
Energy: 1.1149505034983254
Energy: 1.0131154085123284
Energy: 1.0208454080056606
Energy: 1.0129751809836727
Energy: 1.147901226714749
Energy: 1.7189396253310696
Energy: 1.0174808597440177
Energy: 1.013223649631844
Energy: 1.024872989262257
Energy: 0.9008152890543981
Energy: 1.0359137225108006

minimum gb energy = 0.8959835261363189 eV
minimum distance =  2.23754362977684 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.2868926968729606
Energy: 1.2360803527273854
Energy: 1.0202440649589812
Energy: 1.0195297311210505
Energy: 1.0208778802180127
Energy: 1.33687866474331
Energy: 1.6627213093988116
Energy: 1.0327057297221296
Energy: 1.017772716506678
Energy: 1.0176667805296307
Energy: 1.0179707491408465
Energy: 1.3223257086592504
Energy: 1.5518405866719756
Energy: 1.013536371941398
Energy: 1.026971448418142
Energy: 1.028745236791585
Energy: 1.025050787714914
Energy: 1.3326026574441063
Energy: 1.65613037977699
Energy: 1.1686524340926925
Energy: 1.0191742892439157
Energy: 1.0218002354388422
Energy: 1.0194231770896285
Energy: 1.3055185493623422
Energy: 1.6556276073135976
Energy: 1.168482278935261
Energy: 1.168938063108584
Energy: 1.1897202860282585
Energy: 1.1684079541580215
Energy: 1.3059314917134728
Energy: 1.5520292682891927
Energy: 1.3030935247520241
Energy: 1.0212026715456517
Energy: 1.0244231233924816
Energy: 1.0194787228232145
Energy: 1.3389793029951673
Energy: 1.6925309366326835
Energy: 1.3200405989637944
Energy: 1.171608560698116
Energy: 1.0211344355864547
Energy: 1.1798143345869485
Energy: 1.3203171033963106
Energy: 1.6253742895627235
Energy: 1.321554565666364
Energy: 1.3442860614230183
Energy: 1.2050621666403922
Energy: 1.344955438852796
Energy: 1.3332667548357577
Energy: 1.6935102622632199
Energy: 1.3395160685446876
Energy: 1.32046924046102
Energy: 1.0837306593948095
Energy: 1.3207087484860192
Energy: 1.321497440526095
Energy: 1.551172418826491
Energy: 1.33671215990017
Energy: 1.3204230397407581
Energy: 1.191756885320761
Energy: 1.3199146894530056
Energy: 1.3385347521548856
Energy: 1.625685386942614
Energy: 1.335729211118047
Energy: 1.3480105591183038
Energy: 1.3541075206074564
Energy: 1.3361147788310894
Energy: 1.289821457034657
Energy: 1.5586916069394992
Energy: 1.337618930318359
Energy: 1.3353105102133769
Energy: 1.3438356461221423
Energy: 1.3376763692330154
Energy: 1.3374832796846685
Energy: 1.395800700507095
Energy: 1.289926775124696
Energy: 1.335769901063084
Energy: 1.3306759645972848
Energy: 1.3385506879889175
Energy: 1.2687455817133764
Energy: 1.5543387111876628
Energy: 1.2682168314049522
Energy: 1.337394774185073
Energy: 1.3267797508898904
Energy: 1.268219687869717
Energy: 1.2681733579475405
Energy: 1.5555010170290346
Energy: 1.2684979322423275
Energy: 1.3290591986833178
Energy: 1.232492593942702
Energy: 1.2671828961843428
Energy: 1.271933887464482
Energy: 1.3464040883207813
Energy: 1.2709673610865346
Energy: 1.3246957338719898
Energy: 1.3403796586174954
Energy: 1.2693657853963056
Energy: 1.2856048715262722
Energy: 1.2698360699168367
Energy: 1.0038087946666185
Energy: 1.2682529690974098
Energy: 1.3618374164587135
Energy: 1.2679890706240302
Energy: 1.020733349867049
Energy: 1.2682180130117273
Energy: 1.1566414302359551
Energy: 1.2927638816518061
Energy: 1.3303178341761597
Energy: 1.1562519480832425
Energy: 1.0055030037258494
Energy: 1.2596349908208577
Energy: 1.2236278277628192
Energy: 1.2913804748834625
Energy: 1.3252278692674975
Energy: 1.290301743485439
Energy: 1.2245354719582815
Energy: 1.0914905677554296
Energy: 1.0807883472423503
Energy: 1.290765340167027
Energy: 1.325462192130871
Energy: 1.2902583968829313
Energy: 1.0807698751670205
Energy: 1.1092281889883577
Energy: 1.0119442067987787
Energy: 1.292729761305498
Energy: 1.3423081086684205
Energy: 1.012220065114586
Energy: 1.0113807147141516
Energy: 1.1088542697714625
Energy: 1.1038990609252743
Energy: 1.3150546528623697
Energy: 1.3623803052563577
Energy: 1.1071395351328703
Energy: 1.02026336458294
Energy: 1.1014376546636688
Energy: 1.1087099688190434
Energy: 1.3262507083846216
Energy: 1.3436323331933375
Energy: 1.1088633764190656
Energy: 1.109218053437315
Energy: 1.200370566888464
Energy: 1.1097174504403884
Energy: 1.314932361493792
Energy: 1.343525884668834
Energy: 1.1092701717177762
Energy: 1.110540247513155
Energy: 1.1996666564048732
Energy: 1.1128528037698007
Energy: 1.343313188153399
Energy: 1.3363097438567604
Energy: 1.1131594377900054
Energy: 1.1131393975879211
Energy: 1.195305277299653
Energy: 1.1298283201886612
Energy: 1.3180309516092326
Energy: 1.3421307358509091
Energy: 1.3177876116701153
Energy: 1.1107834887987287
Energy: 1.5407239364121075
Energy: 1.319805651524867
Energy: 1.31824620289741
Energy: 1.3367595733734816
Energy: 1.3181559452146854
Energy: 1.3214274698168351
Energy: 1.438148584901291
Energy: 1.3179876455544677
Energy: 1.3191110416062761
Energy: 1.3743680732555548
Energy: 1.3189772448314812
Energy: 1.129491972774582
Energy: 1.5404859959412207
Energy: 1.3182087544892291
Energy: 1.337917678479362
Energy: 1.3562410356763686
Energy: 1.3383578182316616
Energy: 1.3198564858824746
Energy: 1.4894516787548842
Energy: 1.3591493383520095
Energy: 1.3431062046396276
Energy: 1.2504316267192268
Energy: 1.3382253797145602
Energy: 1.3378676120780062
Energy: 1.4584380263016399
Energy: 1.338825089906677
Energy: 1.3371495487015894
Energy: 1.4115886486608593
Energy: 1.3417228255030123
Energy: 1.344576144698548
Energy: 1.5561869899122782
Energy: 1.3381115872056113
Energy: 1.328309596186367
Energy: 1.1940713459700594
Energy: 1.3433128672316221
Energy: 1.3417542993637277
Energy: 1.5520764716941542
Energy: 1.3205991127246046
Energy: 1.3210811693738618
Energy: 1.1671920230188573
Energy: 1.320715131850149
Energy: 1.338750392135315
Energy: 1.4520902422600432
Energy: 1.3201180864007027
Energy: 1.326836882405617
Energy: 1.185186491362692
Energy: 1.3217488845136423
Energy: 1.3233731505825919
Energy: 1.6366531657982009
Energy: 1.3205387723592532
Energy: 1.1987176268782322
Energy: 1.0199393369220977
Energy: 1.19370824816399
Energy: 1.323472197947456
Energy: 1.5605727249455377
Energy: 1.278480956082364
Energy: 1.166355473317769
Energy: 1.1817266225455452
Energy: 1.1658652260444726
Energy: 1.3394869948191184
Energy: 1.5718723642532515
Energy: 1.0127554725789525
Energy: 1.0182062423265348
Energy: 1.019206399317876
Energy: 1.0184299466026467
Energy: 1.3393260133650875
Energy: 1.6598543679195827
Energy: 1.1663685487961613
Energy: 1.1668582619142591
Energy: 1.0215356434101992
Energy: 1.1667915596522092
Energy: 1.324548607205003

minimum gb energy = 1.0038087946666185 eV
minimum distance =  2.29245785013566 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.0523273665234987
Energy: 1.109463875261704
Energy: 1.0931689435352119
Energy: 1.0931575168527785
Energy: 1.0933976827027063
Energy: 1.4704997408964962
Energy: 1.5245856840923413
Energy: 1.0927012368377291
Energy: 1.0926859683713224
Energy: 1.0926606010779065
Energy: 1.0927625119045066
Energy: 1.447760329038103
Energy: 1.534890989282974
Energy: 1.0926069845100175
Energy: 1.1035723721785924
Energy: 1.1039252896149923
Energy: 1.1056496971174155
Energy: 1.43385351687666
Energy: 1.5579833718275038
Energy: 1.092545686634075
Energy: 1.0921310447984507
Energy: 1.091750417185979
Energy: 1.0921411292859249
Energy: 1.442297989694687
Energy: 1.5575531601649184
Energy: 1.2745709188774537
Energy: 1.2735578946272461
Energy: 1.0921729397267468
Energy: 1.275000053884184
Energy: 1.4422540832031685
Energy: 1.534247635154843
Energy: 1.2761189036064269
Energy: 1.0921369987919358
Energy: 1.0919461319679253
Energy: 1.0922886191245624
Energy: 1.4795385319896892
Energy: 1.5644007245090992
Energy: 1.4470359134356483
Energy: 1.2733633570679375
Energy: 1.092411070823349
Energy: 1.2728455006227941
Energy: 1.4588310894207959
Energy: 1.5259848151876838
Energy: 1.446399327697961
Energy: 1.468356893929453
Energy: 1.3266912338469234
Energy: 1.4520347060469212
Energy: 1.454713853289864
Energy: 1.5380565054750006
Energy: 1.470880962078097
Energy: 1.4528094654211188
Energy: 1.084070363363553
Energy: 1.4471544572002226
Energy: 1.4468255902985674
Energy: 1.5369228013718998
Energy: 1.447412316607205
Energy: 1.452298064009365
Energy: 1.30523718237176
Energy: 1.4523128662305862
Energy: 1.4511489584113382
Energy: 1.5399747058059348
Energy: 1.4465473562659845
Energy: 1.4768941515318237
Energy: 1.0916323889177775
Energy: 1.4578295787553073
Energy: 1.4356276504799887
Energy: 1.5360196027712896
Energy: 1.4510079019241409
Energy: 1.458098498460211
Energy: 1.4552554416078987
Energy: 1.457840228409599
Energy: 1.3050354948959166
Energy: 1.3028668175700366
Energy: 1.3056649224968413
Energy: 1.4581044187813117
Energy: 1.4252381100976617
Energy: 1.446679118272321
Energy: 1.0925526560183447
Energy: 1.3043459251204952
Energy: 1.2720790188333024
Energy: 1.482792823803091
Energy: 1.0924597783354282
Energy: 1.4356533845753674
Energy: 1.0935533434344782
Energy: 1.308004453170589
Energy: 1.0922616698923568
Energy: 1.4341158116075223
Energy: 1.3054804137402887
Energy: 1.0927782092472407
Energy: 1.0920213913284207
Energy: 1.0935777958043211
Energy: 1.2729034275199669
Energy: 1.425079120526976
Energy: 1.4232572902919745
Energy: 1.2720259717145366
Energy: 1.1015786339056364
Energy: 1.0930781758174077
Energy: 1.0922292072499622
Energy: 1.4349457311174834
Energy: 1.2676446987598584
Energy: 1.2758875969211243
Energy: 1.0921410384063996
Energy: 1.1030706776232344
Energy: 1.1028078098030814
Energy: 1.4333693039750781
Energy: 1.3056292402364644
Energy: 1.0920284495359904
Energy: 1.1029040915668362
Energy: 1.091375303437702
Energy: 1.0919554902514415
Energy: 1.2749824635174003
Energy: 1.496164616372194
Energy: 1.274309213030565
Energy: 1.0919138820217151
Energy: 1.093821878672877
Energy: 1.0928302622040797
Energy: 1.2741219323771182
Energy: 1.4510246683942385
Energy: 1.092467028618691
Energy: 1.09167524248067
Energy: 1.3075451046261568
Energy: 1.092152039066144
Energy: 1.4333446900684368
Energy: 1.3058223410446286
Energy: 1.0921143660229005
Energy: 1.0935282958485275
Energy: 1.2983861574788989
Energy: 1.2725601926318035
Energy: 1.4580425453436274
Energy: 1.3080774045052697
Energy: 1.447623472850816
Energy: 1.2733616040138007
Energy: 1.3009010609671074
Energy: 1.306276917402864
Energy: 1.4683953580078486
Energy: 1.268807348845365
Energy: 1.3266987819209413
Energy: 1.3050458760186003
Energy: 1.509522568298783
Energy: 1.447124168966841
Energy: 1.4496609022079276
Energy: 1.3343655953406843
Energy: 1.4551427665178427
Energy: 1.2733729740660769
Energy: 1.535616284426
Energy: 1.4458340956163132
Energy: 1.452797849266396
Energy: 1.3125148123069406
Energy: 1.4574562254775643
Energy: 1.304720538852857
Energy: 1.5319202356270496
Energy: 1.4574940539839933
Energy: 1.4510674918216886
Energy: 1.27364171683778
Energy: 1.4468565062664114
Energy: 1.3049611136784172
Energy: 1.5092314257002626
Energy: 1.4586391855477907
Energy: 1.451655780583131
Energy: 1.0921114647787367
Energy: 1.4512808666119263
Energy: 1.458820031474134
Energy: 1.5081937476232619
Energy: 1.447262459012338
Energy: 1.3056229168860674
Energy: 1.0926632447639062
Energy: 1.3056664273028096
Energy: 1.4245286716144436
Energy: 1.563400028106293
Energy: 1.4488985011688915
Energy: 1.2716922640247232
Energy: 1.0920459480550049
Energy: 1.2720234863152442
Energy: 1.4827101959901106
Energy: 1.5633297708414768
Energy: 1.433616967459413
Energy: 1.093273315756204
Energy: 1.0921318294293147
Energy: 1.0928532530021677
Energy: 1.435270473982421
Energy: 1.508087599312702
Energy: 1.271466755691599
Energy: 1.273480767713696
Energy: 1.0929645984595109
Energy: 1.2720529053731116
Energy: 1.4256255690683306

minimum gb energy = 1.084070363363553 eV
minimum distance =  2.27829990985364 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.8160849622210904
Energy: 1.2215125557756388
Energy: 1.2082760723067782
Energy: 1.201060978534767
Energy: 1.2077961270687496
Energy: 1.2215056360430854
Energy: 1.1945043593085682
Energy: 1.4310460662798534
Energy: 1.1978566393768033
Energy: 1.1980527915605408
Energy: 1.1976532699650089
Energy: 1.620274034477931
Energy: 1.486724246885047
Energy: 1.4499306979225288
Energy: 1.21022377086941
Energy: 1.2088224515581307
Energy: 1.2111475362031232
Energy: 1.6193796651807906
Energy: 1.4788205369473977
Energy: 1.4296143792007485
Energy: 1.1993154315152816
Energy: 1.1991761085571413
Energy: 1.1990364338547832
Energy: 1.4396714003105102
Energy: 1.4789759370820195
Energy: 1.4294500628027924
Energy: 1.198829407351442
Energy: 1.1959803380058533
Energy: 1.4237314880358427
Energy: 1.4396657736061282
Energy: 1.4888532010732394
Energy: 1.4319052794041645
Energy: 1.424478378962743
Energy: 1.1983911839363137
Energy: 1.4313734662052346
Energy: 1.464439853094717
Energy: 1.1952947541849928
Energy: 1.6184957890916796
Energy: 1.201316623698124
Energy: 1.1982642626585083
Energy: 1.4249522671982127
Energy: 1.4427972113126024
Energy: 1.479139537616557
Energy: 1.6186863019476487
Energy: 1.4641071786053774
Energy: 1.1970354932630014
Energy: 1.4711549100635286
Energy: 1.6193456249103413
Energy: 1.1975676417010106
Energy: 1.4458635766509371
Energy: 1.61429556751968
Energy: 1.1916884704306954
Energy: 1.619094275628765
Energy: 1.4511809825366575
Energy: 1.4843652731721466
Energy: 1.4250209355307877
Energy: 1.61834852672623
Energy: 1.1929930073234924
Energy: 1.6194327837237257
Energy: 1.1993291464178601
Energy: 1.488533189132679
Energy: 1.430151519402737
Energy: 1.6367036166781213
Energy: 1.2006646061567754
Energy: 1.4295371894551605
Energy: 1.1981548858430218
Energy: 1.487248346790353
Energy: 1.4244190212718895
Energy: 1.4292497957046406
Energy: 1.4496125907460304
Energy: 1.4294794095983865
Energy: 1.198769097273071
Energy: 1.2004281780923074
Energy: 1.199256114879665
Energy: 1.6145198632478186
Energy: 1.6142943246076997
Energy: 1.4285716123713479
Energy: 1.199875393922737
Energy: 1.2006264083980625
Energy: 1.2085638758053745
Energy: 1.6232604888828084
Energy: 1.2064336364069181
Energy: 1.209683336534803
Energy: 1.2132515961489831
Energy: 1.2002949559595384
Energy: 1.1990868453211632
Energy: 1.4493079307327197
Energy: 1.1994001972538821
Energy: 1.4329883234791905
Energy: 1.1990390824472899
Energy: 1.2027925242360693
Energy: 1.200439054925245
Energy: 1.6162451439804117
Energy: 1.4398711284581556
Energy: 1.201900271193655
Energy: 1.201343851776538
Energy: 1.4882710147582516
Energy: 1.429907524439315
Energy: 1.4325781372128332
Energy: 1.1990087381556964
Energy: 1.4306318588145557
Energy: 1.2013436184422503
Energy: 1.4890506312241303
Energy: 1.42955304716376
Energy: 1.4635414054652842
Energy: 1.2001731902006434
Energy: 1.4298840879617916
Energy: 1.2001838133088798
Energy: 1.2068578774796845
Energy: 1.425471735080258
Energy: 1.6184499776791523
Energy: 1.4433334812635263
Energy: 1.618730998324725
Energy: 1.199959382186719
Energy: 1.1951301455073895
Energy: 1.443193364746683
Energy: 1.618278000052923
Energy: 1.442876342657862
Energy: 1.6194798639951753
Energy: 1.4454281706110714
Energy: 1.7706395786628826
Energy: 1.6183505244645855
Energy: 1.4425007941508852
Energy: 1.2070572334572534
Energy: 1.4430480412298425
Energy: 1.1910750156093939
Energy: 1.4838989074154862
Energy: 1.619439959919054
Energy: 1.4249417235913262
Energy: 1.1992642452413604
Energy: 1.4292049765710735
Energy: 1.443099835290859
Energy: 1.2064110511880186
Energy: 1.621001283797289
Energy: 1.4299429654097697
Energy: 1.1985126373456774
Energy: 1.199369594409627
Energy: 1.619486906409701
Energy: 1.1912797989205612
Energy: 1.429620033846142
Energy: 1.1987777033217248
Energy: 1.196746280494285
Energy: 1.2012432054941657
Energy: 1.6145743614971495

minimum gb energy = 1.1910750156093939 eV
minimum distance =  2.27175992813304 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.411779782025364
Energy: 1.837283875867799
Energy: 1.3544486541852905
Energy: 1.337155725579023
Energy: 1.612137774446111
Energy: 1.8367195489164292
Energy: 1.319142931212959
Energy: 1.624284293202134
Energy: 1.328599593952653
Energy: 1.3275445131409043
Energy: 1.3280433721277312
Energy: 1.3332019770989691
Energy: 1.3345499758938468
Energy: 1.6235174606936027
Energy: 1.3274421207111808
Energy: 1.3299975828854689
Energy: 1.3352353520195004
Energy: 1.6124746081443948
Energy: 1.3239605923822966
Energy: 1.6105396836430164
Energy: 1.3332598137523557
Energy: 1.336525892580288
Energy: 1.332252015236127
Energy: 1.6279580452416544
Energy: 1.3236224672260766
Energy: 1.628092884304011
Energy: 1.3331422314185155
Energy: 1.3365080149791442
Energy: 1.6087199791999387
Energy: 1.4287630881127813
Energy: 1.3537870152875027
Energy: 1.4257976077181478
Energy: 1.6224596473545225
Energy: 1.314737025969793
Energy: 1.6236439076118694
Energy: 1.614067422471911
Energy: 1.3351099674635858
Energy: 1.3324625613155336
Energy: 1.6100711006415864
Energy: 1.334754865435834
Energy: 1.6106478241557254
Energy: 1.3322899012332599
Energy: 1.334446677410473
Energy: 1.6225161212467407
Energy: 1.6126036898706888
Energy: 1.3340471213316285
Energy: 1.6287295892947773
Energy: 1.3331043486679843
Energy: 1.3347546730899518
Energy: 1.612762512769114
Energy: 1.8373762894016556
Energy: 1.319950022501711
Energy: 1.6105750420118896
Energy: 1.3542671771588555
Energy: 1.3291020243303027
Energy: 1.3301814894896802
Energy: 1.4283186914529375
Energy: 1.3204009340388057
Energy: 1.3315235903459126
Energy: 1.330307136063841
Energy: 1.3283533831643808
Energy: 1.3366086187938495
Energy: 1.6227682850873144
Energy: 1.353791148944784
Energy: 1.333743667903268
Energy: 1.3364656493848377
Energy: 1.3300424040604866
Energy: 1.33179596988343
Energy: 1.428168655295724
Energy: 1.3048044963310135
Energy: 1.6090541354945875
Energy: 1.3318863056721255
Energy: 1.3354616990822596
Energy: 1.610205557076303
Energy: 1.6105306254498317
Energy: 1.304490926948554
Energy: 1.6104084148675029
Energy: 1.3540299714924064
Energy: 1.3156368816047448
Energy: 1.6250909962481526
Energy: 1.425976366799386
Energy: 1.3542861742884187
Energy: 1.624011356747259
Energy: 1.3143045569047012
Energy: 1.3359431799165014
Energy: 1.6070077191914822
Energy: 1.3323284330622551
Energy: 1.3345676842500835
Energy: 1.4266741515073775
Energy: 1.3326554761526639
Energy: 1.3536672108709158
Energy: 1.425598181708687
Energy: 1.6248529737268824
Energy: 1.3298888562493354
Energy: 1.6241835920728938
Energy: 1.3537653102787446
Energy: 1.319951337191032
Energy: 1.629140029797923
Energy: 1.3328277397159296
Energy: 1.3358834656065282
Energy: 1.6060954303545034
Energy: 1.3205381128578757

minimum gb energy = 1.304490926948554 eV
minimum distance =  2.2778381422766 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.7974888488760616
Energy: 1.371539416189859
Energy: 1.387036239979756
Energy: 1.6048824485096396
Energy: 1.4095392290489752
Energy: 1.9596542117693991
Energy: 1.4215199233178617
Energy: 1.5728346706181822
Energy: 1.3822731406815816
Energy: 1.3825707931483584
Energy: 1.3820675822850592
Energy: 1.7439163113713445
Energy: 1.3860539600605275
Energy: 1.5755066132064461
Energy: 1.3876012835765488
Energy: 1.3866294065453248
Energy: 1.3864856525634304
Energy: 1.3621504176839536
Energy: 1.9674036867683518
Energy: 1.7839912281920847
Energy: 1.3957221913654254
Energy: 1.385917064966586
Energy: 1.3857208039969866
Energy: 1.5804920187948586
Energy: 1.4569621691737233
Energy: 1.7162563564269135
Energy: 1.5820124434712122
Energy: 1.3859510805702797
Energy: 1.7814157700706206
Energy: 1.5798128841977466
Energy: 1.3936545543948493
Energy: 1.3921976527736923
Energy: 1.8660200260129536
Energy: 1.3476345557451288
Energy: 1.7834929680069564
Energy: 1.3876678880895696
Energy: 1.3931684573081937
Energy: 1.3878578432166042
Energy: 1.5738741006956405
Energy: 1.3865679507366604
Energy: 1.38401478856101
Energy: 1.3874486752549966
Energy: 1.38382815342071
Energy: 1.3823900187222085
Energy: 1.5784928153836075
Energy: 1.4039825709473865
Energy: 1.3837851795533895
Energy: 1.3827210301623722
Energy: 1.3841945220672809
Energy: 1.3857087022812242
Energy: 1.3494754828843354
Energy: 1.3814636728028384
Energy: 1.3856957099249936
Energy: 1.3839934769250137
Energy: 1.5988030026184772
Energy: 1.3819613481617699
Energy: 1.5720673740365578
Energy: 1.4493768331448365
Energy: 1.5707164013686536
Energy: 1.3835200097343907
Energy: 1.59933287407278
Energy: 1.5715657119832003
Energy: 1.352094221172043
Energy: 1.3868702294257687
Energy: 1.5742740900000383
Energy: 1.3820496959046322
Energy: 1.609519007641972
Energy: 1.383878429092769
Energy: 1.5119354523182595
Energy: 1.3504261668585293
Energy: 1.6336038462665374
Energy: 1.3853362739926005
Energy: 1.4536725236327008
Energy: 1.7927689085608498
Energy: 1.6321547736330344
Energy: 1.3494075980193099
Energy: 1.7939980113903133
Energy: 1.6082605218192716
Energy: 2.1502311722265794
Energy: 1.349828145009238
Energy: 1.3623222825833812
Energy: 1.348328844407155
Energy: 1.6718771039886682
Energy: 1.353823207889653
Energy: 1.6266540830524256
Energy: 1.6862918809255667
Energy: 1.3488140942847757
Energy: 1.3546247974599053
Energy: 1.3479946792538609
Energy: 1.7434937772142365
Energy: 1.4504367322362963
Energy: 1.353792970118114
Energy: 1.3536132101634992
Energy: 1.3569519000730383
Energy: 1.3563813975553325
Energy: 1.3869684774249302
Energy: 1.9681215867577597
Energy: 1.3520357715822906
Energy: 1.3589981694480764
Energy: 1.3677899737833643
Energy: 1.351305853046497
Energy: 1.5720272238364046
Energy: 1.9678512726757558
Energy: 1.6314084550156582
Energy: 1.3494279720425664
Energy: 1.3664684794581439
Energy: 1.5131559207392025
Energy: 1.5716418620009338
Energy: 1.6017321979422359
Energy: 1.621398490434515
Energy: 1.791176947278888
Energy: 1.3558008238033084
Energy: 1.7900233868312676
Energy: 1.3852811235517182
Energy: 1.60174188214811
Energy: 1.3820005312646564
Energy: 1.349146332318457
Energy: 1.3659456983499247
Energy: 1.5712846120884585
Energy: 1.3831438907014153
Energy: 1.5996214871217072
Energy: 1.572854241438634
Energy: 1.5872584725773837
Energy: 1.3958460491093323
Energy: 1.576393102743268
Energy: 1.5726952817277984
Energy: 1.452935179174305
Energy: 1.3840745779268362
Energy: 1.3451871096921875
Energy: 1.4113542800350192
Energy: 1.3827693375660677
Energy: 1.3838546309927637
Energy: 1.383770072402177
Energy: 1.3828395002356504
Energy: 1.3847788117264386
Energy: 1.3460596695793512
Energy: 1.3835078513162473
Energy: 1.3834381300099787
Energy: 1.3893530503463958
Energy: 1.3861416377399678
Energy: 1.5786011878306783
Energy: 1.3909666456564276
Energy: 1.3869812854302994
Energy: 1.3868235448739834
Energy: 1.3983197714327165
Energy: 1.3838405336140767
Energy: 1.7169869279229346
Energy: 1.3502906253031939
Energy: 1.78141588389518
Energy: 1.3945407380550123
Energy: 1.3869968240287567
Energy: 1.653277209200328
Energy: 1.8866862411333782
Energy: 1.3503788711769236
Energy: 1.78490408431003
Energy: 1.3881082313038946
Energy: 1.355248316105634
Energy: 1.7834432598391599
Energy: 1.4292075387984238
Energy: 1.387106404837734
Energy: 1.784819629070495
Energy: 1.8677227033972166
Energy: 2.155282266863519
Energy: 1.783729395528928
Energy: 1.3926556887455428
Energy: 1.3998601034336056
Energy: 1.3853526399433702
Energy: 1.5733943601778768
Energy: 1.3909548664690288
Energy: 1.386444714973552
Energy: 1.3870303261203067
Energy: 1.3869863777907412
Energy: 1.3865770553480243
Energy: 1.3519762530651163
Energy: 1.9658797019965346
Energy: 1.3834355591531846
Energy: 1.3837666893824188
Energy: 1.386105518602168
Energy: 1.3837334036636315
Energy: 1.7403554187560455
Energy: 1.9684418895736038
Energy: 1.384623846433415
Energy: 1.3847056531447894
Energy: 1.452632303849498
Energy: 1.3842349455256
Energy: 1.737504456717593
Energy: 1.3890295955848448
Energy: 1.5792227238470096
Energy: 1.5735683787874375
Energy: 1.3827915256659309
Energy: 1.5775467174103828
Energy: 1.3499781216765396
Energy: 1.581225792015581
Energy: 1.354550665580615
Energy: 1.3834084740824406
Energy: 1.386966476825927
Energy: 1.382326489793675
Energy: 1.3500703499855145
Energy: 1.9713349876957662
Energy: 1.792899499920522
Energy: 1.5901777667153394
Energy: 1.4502240704158398
Energy: 1.7941233161303678
Energy: 1.7931783736456837
Energy: 1.386549557516368
Energy: 1.3546931790637078
Energy: 1.7614843392094137
Energy: 1.3506513163927636
Energy: 1.636688629136669
Energy: 1.3493038824181178
Energy: 1.3647085475434226
Energy: 1.3499687781654333
Energy: 1.7966423716346471
Energy: 1.3504360400483915
Energy: 1.5129464209319095
Energy: 1.358434094773486
Energy: 1.35671042600026
Energy: 1.3565988853360091
Energy: 1.7496404351235717
Energy: 1.4505806495748657
Energy: 1.3569087777942734
Energy: 1.3567717432735726
Energy: 1.360908952689269
Energy: 1.3495497647308323
Energy: 1.7434331350231091
Energy: 1.3864417247675145
Energy: 1.5121623731275093
Energy: 1.3566326497565862
Energy: 1.3480086083488712
Energy: 1.3502768669540686
Energy: 1.7833348039877883
Energy: 1.3829740186954345
Energy: 1.3518084611184873
Energy: 1.3878825888970852
Energy: 1.7804061425072097
Energy: 1.790248837241521
Energy: 1.7926593816503218
Energy: 1.4522468741721979
Energy: 1.7931523326733432
Energy: 1.348024100620937
Energy: 1.5852593846616838
Energy: 1.5107624657572742
Energy: 1.3844174753229819
Energy: 1.6084144792633097
Energy: 1.5881452749099334
Energy: 1.348931639824487
Energy: 1.578365794459377
Energy: 1.6061464580470037
Energy: 1.571518941208114
Energy: 1.3836451925022681
Energy: 1.5716751321458238
Energy: 1.3504525725330383
Energy: 1.7774665761541228
Energy: 1.3848855693671172
Energy: 1.382712840486908
Energy: 1.3848376706511423
Energy: 1.3821351052283797
Energy: 1.703766665169909

minimum gb energy = 1.3451871096921875 eV
minimum distance =  2.20688903346276 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.078950954015192
Energy: 1.9916520278237027
Energy: 1.4144002258433137
Energy: 1.6046802431197118
Energy: 1.4179071835060524
Energy: 1.9909196930981645
Energy: 1.4828546306285606
Energy: 1.6581255694314774
Energy: 1.3995042955580905
Energy: 1.3987804490254159
Energy: 1.3989130494217172
Energy: 1.6603862275412886
Energy: 1.4155953789430828
Energy: 1.430873291658381
Energy: 1.3995154655925415
Energy: 1.3985347503144596
Energy: 1.3992001806228778
Energy: 1.6063868027102124
Energy: 1.75744424849328
Energy: 1.8619829565839885
Energy: 1.403742968185852
Energy: 1.4115947347689186
Energy: 1.4052711375288507
Energy: 1.6364619009220014
Energy: 1.7558695952014711
Energy: 1.8606313331020277
Energy: 1.6286593965871135
Energy: 1.36931282696422
Energy: 1.6328931671178624
Energy: 1.63475932694504
Energy: 1.4079374816906418
Energy: 1.4082451105851814
Energy: 1.8449813025613133
Energy: 1.3561492964299957
Energy: 1.627012737985018
Energy: 1.409018128007561
Energy: 1.4007884213474662
Energy: 1.400295854369172
Energy: 1.6290551921936491
Energy: 1.4059938000326044
Energy: 1.4006462545193104
Energy: 1.4003033896011716
Energy: 1.4001834132495163
Energy: 1.4013838958046645
Energy: 1.6581880169669467
Energy: 1.4117072141790483
Energy: 1.4002085909260311
Energy: 1.4005461144949842
Energy: 1.4070376291351785
Energy: 1.4034395174510037
Energy: 1.8736160436895868
Energy: 1.400197416975346
Energy: 1.40240081987498
Energy: 1.4032702492877023
Energy: 1.7576692585953801
Energy: 1.400220061170867
Energy: 1.6578783386044447
Energy: 1.401378250123877
Energy: 1.6578152889875906
Energy: 1.400681857259977
Energy: 1.4466036355121856
Energy: 1.661118145066852
Energy: 1.4067056009187122
Energy: 1.4209630678080558
Energy: 1.658857749309203
Energy: 1.6569719590418241
Energy: 1.4150442788581676
Energy: 1.4021223187091156
Energy: 1.4009456741743282
Energy: 1.4025603933626078
Energy: 1.6645695625664116
Energy: 1.4021754369639243
Energy: 1.4290355272332034
Energy: 1.6583893102097582
Energy: 1.400621889661824
Energy: 1.4018184379803522
Energy: 1.6642345176611202
Energy: 1.5972880623131702
Energy: 2.0586556769601057
Energy: 1.400556451535619
Energy: 1.411155855295732
Energy: 1.4183908367262104
Energy: 1.40088825798839
Energy: 1.3549471836461622
Energy: 1.446876951431392
Energy: 1.6580660510693246
Energy: 1.3995966858771784
Energy: 1.399871446284418
Energy: 1.399432400343081
Energy: 1.657829032340251
Energy: 1.4169818980883075
Energy: 1.4290300849687074
Energy: 1.3997010883838394
Energy: 1.3984752364525448
Energy: 1.3992966241244034
Energy: 1.4275677868988559
Energy: 1.7543066413439494
Energy: 1.8603195073851715
Energy: 1.406503321878739
Energy: 1.4137564079656035
Energy: 1.4045395024829852
Energy: 1.6374439356266408
Energy: 1.7564161590208944
Energy: 1.859999674710652
Energy: 1.6288854143854352
Energy: 1.4128146963765724
Energy: 1.63284500418374
Energy: 1.6365420579744505
Energy: 1.4108457593651862
Energy: 1.5942154516263873
Energy: 1.844620574439407
Energy: 1.8395373896416258
Energy: 1.6308330575455672
Energy: 1.4066086952021113
Energy: 1.4005361732027244
Energy: 1.4005823785680316
Energy: 1.6296518995989078
Energy: 1.405508334934242
Energy: 1.6370946617310556
Energy: 1.4006151362255908
Energy: 1.4004756925626716
Energy: 1.399844590083873
Energy: 1.657506195827712
Energy: 1.409956179648985
Energy: 1.4073267798917033
Energy: 1.400808580783947
Energy: 1.4108180569886801
Energy: 1.4021091830150725
Energy: 1.8606645153271133
Energy: 1.400898575235219
Energy: 1.4005124815187697
Energy: 1.402760266560073
Energy: 1.4136868072501396
Energy: 1.4025030464157011
Energy: 1.6583910727934361
Energy: 1.4005477477876442
Energy: 1.6581453660264729
Energy: 1.4013324130360092
Energy: 1.4482337439479438
Energy: 1.6622246211177176
Energy: 1.4087837401271515
Energy: 1.4220031419708228
Energy: 1.6569661744755435
Energy: 1.657201290135139
Energy: 1.4120752794884346
Energy: 1.4002745622069415
Energy: 1.4008512166566394
Energy: 1.4024193580801423
Energy: 1.6584347081544477
Energy: 1.401146860546007
Energy: 1.4323535744596583
Energy: 1.658980550897264
Energy: 1.658445633468615
Energy: 1.4020815932068318
Energy: 1.6640117130385934
Energy: 1.4156943409373548
Energy: 2.070681984379628
Energy: 1.4004387680259551
Energy: 1.4015351184195286
Energy: 1.4170785190504134
Energy: 1.401781725158269
Energy: 1.8431711643049753

minimum gb energy = 1.3549471836461622 eV
minimum distance =  2.20548416978174 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.584613340465265
Energy: 1.4481067511620769
Energy: 1.4583486462601793
Energy: 1.4588397932642283
Energy: 1.4599561603474103
Energy: 1.8696403666296422
Energy: 1.4995526727206092
Energy: 1.4502801047722627
Energy: 1.4510497275066652
Energy: 1.449677674302293
Energy: 1.4511769728458304
Energy: 1.6598605999624316
Energy: 1.4917529767236177
Energy: 1.5050841481255177
Energy: 1.4502897745556669
Energy: 1.447859702364236
Energy: 1.4516699975812741
Energy: 1.4131104411160778
Energy: 1.7209226435872218
Energy: 1.8344068255574952
Energy: 1.4566852436922737
Energy: 1.4568229018277756
Energy: 1.4564344860102754
Energy: 1.4063930724119362
Energy: 1.7198890398095048
Energy: 1.4088702549728935
Energy: 1.7725080846940133
Energy: 1.4980233468354198
Energy: 1.7722670589182659
Energy: 1.4089718385591234
Energy: 1.4168698326259945
Energy: 1.420521002527158
Energy: 1.8574401650351673
Energy: 1.396800160345246
Energy: 1.6596167972451978
Energy: 1.419790389069174
Energy: 1.406206836012696
Energy: 1.4097824764244085
Energy: 1.7717049855548528
Energy: 1.4538682650630588
Energy: 1.4088634584359359
Energy: 1.4092819103728231
Energy: 1.407316205644895
Energy: 1.4064199942555013
Energy: 1.771759139887612
Energy: 1.5401499050975427
Energy: 1.4062083108792935
Energy: 1.4068084281440918
Energy: 1.4156736067616817
Energy: 1.420419567210949
Energy: 1.8369357184456288
Energy: 1.3988088593731602
Energy: 1.410509349505276
Energy: 1.4199773828513473
Energy: 1.8346862113494804
Energy: 1.4104417116394214
Energy: 1.6580712455923952
Energy: 1.5391697691648678
Energy: 1.8171124039165918
Energy: 1.4118558479734094
Energy: 1.9451569195636427
Energy: 1.8343020495190696
Energy: 1.4559524163171962
Energy: 1.4552287689380832
Energy: 1.4556393265571315
Energy: 1.4014599257604174
Energy: 1.7221020223933605
Energy: 1.8364762693661891
Energy: 1.4484363496569734
Energy: 1.4525513634880822
Energy: 1.448584040572073
Energy: 1.412457479456186
Energy: 1.4121332967599038
Energy: 1.4500670173871084
Energy: 1.4487746716433358
Energy: 1.4497903231322529
Energy: 1.4484940319678836
Energy: 1.7370785902051322
Energy: 1.7174201183438857
Energy: 1.4510554539399318
Energy: 1.4573254147075212
Energy: 1.4558952564609338
Energy: 1.4569333872398251
Energy: 1.8329710631075136
Energy: 1.5372208324378265
Energy: 1.65798603587598
Energy: 1.449170811844393
Energy: 1.4528071084716248
Energy: 1.6577793949747757
Energy: 1.6583490365790508
Energy: 1.7216912067550207
Energy: 1.4503896692533345
Energy: 1.6589891578039226
Energy: 1.4498871228037584
Energy: 1.6566659240995227
Energy: 1.4567921739877399
Energy: 1.7218172095689228
Energy: 1.6567583980723801
Energy: 1.455591818504341
Energy: 1.491722774931296
Energy: 1.5827817249387794
Energy: 1.4490091625534782
Energy: 1.720851918464455
Energy: 1.448468041830697
Energy: 1.6571441800873747
Energy: 1.4921842576856439
Energy: 1.6574095806812372
Energy: 1.4502422206450387
Energy: 1.4558469091293478
Energy: 1.458551526257248
Energy: 1.4480800093883128
Energy: 1.4648967487816402
Energy: 1.4628783772533254
Energy: 1.4585065604023435
Energy: 1.4484889493483637
Energy: 1.4520785282004571
Energy: 1.6577200312971445
Energy: 1.4132244605698039
Energy: 1.450279271672718
Energy: 1.4500436881901284
Energy: 1.4462827306779902
Energy: 1.451327499108074
Energy: 1.4140886911473067
Energy: 1.4919676724585247
Energy: 1.4514521470482609
Energy: 1.4506873347869997
Energy: 1.4561331857691042
Energy: 1.4562866987051908
Energy: 1.611936287200572
Energy: 1.4088074989765194
Energy: 1.833149920342995
Energy: 1.456843728906258
Energy: 1.497866013411807
Energy: 1.7730839537518923
Energy: 1.41240698240928
Energy: 1.4529057045855098
Energy: 1.6128114023543552
Energy: 1.7720595615024055
Energy: 1.9410585744982047
Energy: 1.4114454269938193
Energy: 1.4199842090677608
Energy: 1.4174625020037501
Energy: 1.414940723285956
Energy: 1.85795854618974
Energy: 1.4531543289719497
Energy: 1.609331013990291
Energy: 1.4092504963063472
Energy: 1.407635779114669
Energy: 1.4091845547197699
Energy: 1.6525024055718665
Energy: 1.4544724850207238
Energy: 1.6074846999416472
Energy: 1.4069394982627268
Energy: 1.4086268236418193
Energy: 1.4066482374485978
Energy: 1.6540483049259729
Energy: 1.7172610021602375
Energy: 1.8392471904569103
Energy: 1.420211032039798
Energy: 1.4177534272911576
Energy: 1.41932799382361
Energy: 1.3984808936311228
Energy: 1.649404971944859
Energy: 1.6583340392402783
Energy: 1.4105575111763635
Energy: 1.4539598431889755
Energy: 1.4076156759872107
Energy: 1.771388868540433
Energy: 1.4549945103777082
Energy: 1.4570960478556392
Energy: 1.8410271182047067
Energy: 1.3971633875863922
Energy: 1.834032083166502
Energy: 1.4556772182007955
Energy: 1.4514954738855086
Energy: 1.4483355810317706
Energy: 1.4140292721758574
Energy: 1.45029889226783
Energy: 1.451333343306642
Energy: 1.4486626399507172
Energy: 1.448172529069796
Energy: 1.4485342544801083
Energy: 1.6570369302620194
Energy: 1.4124858041469937
Energy: 1.4499193518595568
Energy: 1.448865239657421
Energy: 1.4557570316857409
Energy: 1.4575166682984768
Energy: 1.4019831570465076
Energy: 1.3954683322965356
Energy: 1.4556912973365292
Energy: 1.457014817747266
Energy: 1.7197053355806202
Energy: 1.4482909715754102
Energy: 1.6577536349805089
Energy: 1.5377580385995346
Energy: 1.6571312005110055
Energy: 1.450905725021219
Energy: 1.722505719759539
Energy: 1.658989312773518
Energy: 1.4550124636549568
Energy: 1.7239052174038088
Energy: 1.5815253942022502
Energy: 1.4479796911197198
Energy: 1.4920563904428676
Energy: 1.449009150037089
Energy: 1.4491609001779846
Energy: 1.4511839498808845
Energy: 1.6568712833922947
Energy: 1.4561497521384468
Energy: 1.4995526715965042
Energy: 1.6571149316909217
Energy: 1.4501122450107256
Energy: 1.4503386351702985
Energy: 1.6570679950310243
Energy: 1.699448217506903

minimum gb energy = 1.3954683322965356 eV
minimum distance =  2.23818985900305 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.4222811001261555
Energy: 1.424144809490198
Energy: 1.4646757316475494
Energy: 1.46070977635201
Energy: 1.7501576781473103
Energy: 1.4253133612081401
Energy: 1.4232211855601802
Energy: 1.5387878965038035
Energy: 1.4659222145774398
Energy: 1.4663418188693913
Energy: 1.4669263825660566
Energy: 1.5375978002129043
Energy: 1.5383296665174488
Energy: 1.537026244722188
Energy: 1.4662094199444384
Energy: 1.4597054286466773
Energy: 1.4664190637074377
Energy: 1.5374747764391168
Energy: 1.537043629741088
Energy: 1.5370650279298372
Energy: 1.4648834291380273
Energy: 1.465668204000549
Energy: 1.539816895353832
Energy: 1.537055560921026
Energy: 1.536937656057061
Energy: 1.5389653282432196
Energy: 1.5369514663507131
Energy: 1.423097854711632
Energy: 1.5378311629401886
Energy: 1.5372345789665613
Energy: 1.4662653756578719
Energy: 1.4661017861230614
Energy: 1.4228455167852008
Energy: 1.4265229238187243
Energy: 1.5376411571700261
Energy: 1.4648396964644241
Energy: 1.4638968451384484
Energy: 1.467483600815571
Energy: 1.5371606602971306
Energy: 1.5367219970910795
Energy: 1.5403116308413238
Energy: 1.465509419359476
Energy: 1.4624058288282802
Energy: 1.4657212666548842
Energy: 1.5371458130572977
Energy: 1.5368052352681827
Energy: 1.538066467502808
Energy: 1.4675607884638666
Energy: 1.4673185376057207
Energy: 1.4646651181542174
Energy: 1.5374027984793852
Energy: 1.5372927701213728
Energy: 1.537241844766896
Energy: 1.465780427640729
Energy: 1.4226506757734743
Energy: 1.5367972955104867
Energy: 1.537143810756671
Energy: 1.53702070024945
Energy: 1.538060034427135
Energy: 1.5370470174105282

minimum gb energy = 1.4222811001261555 eV
minimum distance =  2.28194471059731 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.754257481669431
Energy: 1.4876486779597398
Energy: 1.398416464624781
Energy: 1.4026998830267918
Energy: 1.397601600610995
Energy: 1.4334967489619497
Energy: 1.5837489558053484
Energy: 1.4040780406748425
Energy: 1.6082718120458963
Energy: 1.6002843543355787
Energy: 1.4016050819214303
Energy: 1.4039627325604593
Energy: 1.5974952152517659
Energy: 1.485361861249994
Energy: 1.6083727169954125
Energy: 1.6002723171020876
Energy: 1.4040538526224113
Energy: 1.6002265490595573
Energy: 1.5967959957578903
Energy: 1.6065271392926732
Energy: 1.599482596358795
Energy: 1.598023465351252
Energy: 1.4869113973072792
Energy: 1.608993945555921
Energy: 1.600538221192382
Energy: 1.6087310419540426
Energy: 1.4047210114094364
Energy: 1.780477505218113
Energy: 1.608511231437052
Energy: 1.5978704724747286
Energy: 1.665486385411683
Energy: 1.6519646313846388
Energy: 1.3877768615503998
Energy: 1.3881536747558465
Energy: 1.6056879481793773
Energy: 1.485932923408207
Energy: 1.7811652016309059
Energy: 1.608096635858559
Energy: 1.6618001109985636
Energy: 1.3976876129864721
Energy: 1.6068090879681902
Energy: 1.6093048185480174
Energy: 1.7829497143969235
Energy: 1.6065478970142553
Energy: 1.400771020298715
Energy: 1.398145259399808
Energy: 1.4034196697260877
Energy: 1.6082775437517847
Energy: 1.753159097548811
Energy: 1.4051808208938397
Energy: 1.4024424626174847
Energy: 1.3991068947132932
Energy: 1.4020488603914665
Energy: 1.7837431080708728
Energy: 1.7827982350450227
Energy: 1.500846925464992
Energy: 1.3982988451007226
Energy: 1.3956100913100133
Energy: 1.4000163346370653
Energy: 1.3997295827743879
Energy: 1.7487631440199716
Energy: 1.5028979462992629
Energy: 1.603336302601908
Energy: 1.397340644458869
Energy: 1.3976116593319716
Energy: 1.6004184806731625
Energy: 1.6139148481154197
Energy: 1.4922945527550346
Energy: 1.4006451379202138
Energy: 1.7169746112653441
Energy: 1.405043198108988
Energy: 1.4748634766068431
Energy: 1.3977191653075662
Energy: 1.402166455598958
Energy: 1.401499459419752
Energy: 1.7172368794439725
Energy: 1.400341718442904
Energy: 1.4036274656992136
Energy: 1.3937201833396153
Energy: 1.4033096681563269
Energy: 1.4034008149183805
Energy: 1.78227052641617
Energy: 1.4048789061902376
Energy: 1.4058340486633034
Energy: 1.3969853263322038
Energy: 1.4003679008333494
Energy: 1.3995125520751306
Energy: 1.7544413252866895
Energy: 1.476919712125159
Energy: 1.401016304283044
Energy: 1.4005788483717472
Energy: 1.4681745899963907
Energy: 1.6079514502417633
Energy: 1.5987808813044315
Energy: 1.6066403419885062
Energy: 1.4023959850081669
Energy: 1.7160050032915044
Energy: 1.4008808126950774
Energy: 1.5997733474148212
Energy: 1.7526149535095772
Energy: 1.5983809611738675
Energy: 1.3756509790173579
Energy: 1.7174187826023095
Energy: 1.4015591323551855
Energy: 1.5976403159362476
Energy: 1.596848060610212
Energy: 1.4005093971736025
Energy: 1.3763713293056852
Energy: 1.5983453492711124
Energy: 1.4034226702018981
Energy: 1.6133470388573832
Energy: 1.6044588497372017
Energy: 1.6060569300166525
Energy: 1.5999319998024768
Energy: 1.59679313900772
Energy: 1.4049397866063364
Energy: 1.399420656071848
Energy: 1.5971940428561482
Energy: 1.4857754185839407
Energy: 1.606972650341763
Energy: 1.5966594605103763
Energy: 1.6075589435319642
Energy: 1.405042097113668
Energy: 1.3972966238578621
Energy: 1.6078855094579894
Energy: 1.6081125821445204
Energy: 1.599409516782117
Energy: 1.5992377718971262
Energy: 1.4873637089637777
Energy: 1.3873844632427734
Energy: 1.60022497827445
Energy: 1.5990283210566971
Energy: 1.7542623757802307
Energy: 1.5980515289011605
Energy: 1.4770043457196278
Energy: 1.78031989076665
Energy: 1.6622222038685606
Energy: 1.597464600724148
Energy: 1.7823015836701013
Energy: 1.8530051597593662
Energy: 1.401154804251487
Energy: 1.3955962148022758
Energy: 1.4794793086906706
Energy: 1.7949888603504802
Energy: 1.754435965630831
Energy: 1.4762853585823261
Energy: 1.4013005279620447
Energy: 1.4028737463888876
Energy: 1.4023619215371008
Energy: 1.5982161675153237
Energy: 1.7897513087638246
Energy: 1.4073639609334168
Energy: 1.4013140788740663
Energy: 1.401627794663828
Energy: 1.4009538719623305
Energy: 1.6857012305082872
Energy: 1.749337114297247
Energy: 1.5037301748269116
Energy: 1.396749004389908
Energy: 1.3962626147094144
Energy: 1.3971014551066305
Energy: 1.6014790233830798
Energy: 1.7885651689900506
Energy: 1.4994917853442487
Energy: 1.3990589110622167
Energy: 1.7191186053949856
Energy: 1.3974421442945086
Energy: 1.3981304210398824
Energy: 1.3987713333132308
Energy: 1.3994949800215162
Energy: 1.3773614669938448
Energy: 1.4100098748553698
Energy: 1.4887781417961388
Energy: 1.400484824710175
Energy: 1.3980562237805412
Energy: 1.4032565099050356
Energy: 1.4079226028466885
Energy: 1.601471084257795
Energy: 1.4060301137911873
Energy: 1.4023168175658984
Energy: 1.3989613558679947
Energy: 1.40273702277453
Energy: 1.6052617823473234
Energy: 1.7526303706799327
Energy: 1.4030199811686994
Energy: 1.4025695744729034
Energy: 1.3996326743625394
Energy: 1.4034763157948056
Energy: 1.6604445291463001
Energy: 1.6047770930372558
Energy: 1.8510631193682292
Energy: 1.4034293439257228
Energy: 1.7814647576228908
Energy: 1.4762812237483107
Energy: 1.5974822095268286
Energy: 1.7538940572147406
Energy: 1.401393770188856
Energy: 1.376400890264676

minimum gb energy = 1.3756509790173579 eV
minimum distance =  2.28310732366474 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.8840233934008292
Energy: 1.3426638084440556
Energy: 1.3426591006977642
Energy: 1.3427182494537426
Energy: 1.3442077567379378
Energy: 1.3433109714151943
Energy: 1.3277649914426437
Energy: 1.3983252575999021
Energy: 1.6010429737257712
Energy: 1.5793706578998605
Energy: 1.3416744465377335
Energy: 1.6568978280588822
Energy: 1.5791435601215407
Energy: 1.4035618735956916
Energy: 1.60586677511097
Energy: 1.5810029888691293
Energy: 1.345331739214547
Energy: 1.577774818410052
Energy: 1.5824217900499313
Energy: 1.6090763181742198
Energy: 1.3978213654123226
Energy: 1.581027416402184
Energy: 1.4034404926455784
Energy: 1.6002313116884277
Energy: 1.5854788433346172
Energy: 1.5990367041523212
Energy: 1.339392286439134
Energy: 1.3441760346702372
Energy: 1.5996881444649995
Energy: 1.5772331158673367
Energy: 1.5860886662565092
Energy: 1.345268180060356
Energy: 1.631024166859157
Energy: 1.5910176631181554
Energy: 1.584840333608496
Energy: 1.3460221687527478
Energy: 1.8182766254199094
Energy: 1.6009395141820029
Energy: 1.6551840526757595
Energy: 1.3354343756231373
Energy: 1.8071465444978079
Energy: 1.6030499074803406
Energy: 1.8210266754732682
Energy: 1.6006252462286559
Energy: 1.342422298556728
Energy: 1.3356924883764478
Energy: 1.3465581102964812
Energy: 1.8597051009212124
Energy: 1.6306942256643733
Energy: 1.344794115309558
Energy: 1.3513287549658022
Energy: 1.3377168626681069
Energy: 1.3463447709090188
Energy: 1.8385248303499393
Energy: 1.606539607258667
Energy: 1.3432587530736309
Energy: 1.3390105470122815
Energy: 1.3420289828309553
Energy: 1.3403972356905016
Energy: 1.5813081552856667
Energy: 1.5845718034847638
Energy: 1.6443507696930943
Energy: 1.3497841674140802
Energy: 1.3366931264098676
Energy: 1.3874545871676065
Energy: 1.6036617926493069
Energy: 1.62754561663932
Energy: 1.580312813658612
Energy: 1.334029135638072
Energy: 1.3278725717386075
Energy: 1.3441763037260128
Energy: 1.6328226257720304
Energy: 1.5816639285403375
Energy: 1.5795655285194188
Energy: 1.3337962132173231
Energy: 1.3273421693474952
Energy: 1.3833598578116075
Energy: 1.5806969122333328
Energy: 1.579478398655635
Energy: 1.6092620624937028
Energy: 1.3998717267400278
Energy: 1.5772000426490012
Energy: 1.3464050747926364
Energy: 1.6002120670232527
Energy: 1.5791850728781094
Energy: 1.4025131274654958
Energy: 1.599763144415919
Energy: 1.581344190827067
Energy: 1.3980257991647194
Energy: 1.578934315146728
Energy: 1.3352674428276288
Energy: 1.600749445440023
Energy: 1.6078204709460797
Energy: 1.5832520499032636
Energy: 1.5999737150842717
Energy: 1.5797910296408686
Energy: 1.5807789398833338
Energy: 1.3456417472807953
Energy: 1.5878552201191263
Energy: 1.5769680348882074
Energy: 1.585431589088847
Energy: 1.596376492402737
Energy: 1.8202149874633566
Energy: 1.344307532867756
Energy: 1.57709141169993
Energy: 1.6364474398423194
Energy: 1.799806655330784
Energy: 1.3417714162075187
Energy: 1.3366622144699942
Energy: 1.3372991423368898
Energy: 1.8544800105561514
Energy: 1.8545836050678044
Energy: 1.6403009662825532
Energy: 1.3369737035405451
Energy: 1.3386814338527286
Energy: 1.3423427756115052
Energy: 1.5826305054597631
Energy: 1.636531914849601
Energy: 1.34328034114538
Energy: 1.3391439898294395
Energy: 1.333277114017966
Energy: 1.34525004886579
Energy: 1.3451414590263935
Energy: 1.6266662829469178
Energy: 1.3421888667926243
Energy: 1.3470830971542709
Energy: 1.3375039547855114
Energy: 1.339906973093004
Energy: 1.6045844041133386
Energy: 1.580346371631191
Energy: 1.3983072035895199
Energy: 1.3364978791662934
Energy: 1.3279811910893822
Energy: 1.338447169899969
Energy: 1.6003259982912474
Energy: 1.606624681120445
Energy: 1.3416130329712095
Energy: 1.3398711034845845

minimum gb energy = 1.3273421693474952 eV
minimum distance =  2.27161432549988 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.89542247730378
Energy: 1.2851814362270428
Energy: 1.42010154972482
Energy: 1.5895914720672195
Energy: 1.4201108575675867
Energy: 2.079046545372646
Energy: 1.556023653493647
Energy: 1.3491302449545266
Energy: 1.7058728349441625
Energy: 1.6987575243225068
Energy: 1.4798891358086375
Energy: 1.7475509190803913
Energy: 1.4105465910833048
Energy: 1.2754248706581557
Energy: 1.746597961056012
Energy: 1.5632982873133268
Energy: 1.479958039574886
Energy: 1.4111909186719276
Energy: 1.4182934843805421
Energy: 1.426779940492927
Energy: 1.479693022159923
Energy: 1.4202311495493793
Energy: 1.2798799016376958
Energy: 1.4288309363215754
Energy: 1.417112340771299
Energy: 1.4274650132005833
Energy: 1.3440407625583457
Energy: 1.6700260684898656
Energy: 1.2718382470979528
Energy: 1.4110958700662453
Energy: 1.4239814955878696
Energy: 1.2785096006851475
Energy: 1.2748353773085324
Energy: 1.7435347571377147
Energy: 1.2741857778673404
Energy: 1.418396948689873
Energy: 1.7625409487407322
Energy: 1.4268251159962972
Energy: 1.6284010881511695
Energy: 1.6382862664041842
Energy: 1.2800784974556012
Energy: 1.547897906750028
Energy: 1.7623941247209165
Energy: 1.3418567795835388
Energy: 1.4156148879596087
Energy: 1.4112616685179673
Energy: 1.420319144950998
Energy: 1.5759789704812857
Energy: 1.418588289396991
Energy: 1.2807483398054598
Energy: 1.428548196264156
Energy: 1.4112564707102462
Energy: 1.4266173323081806
Energy: 1.4207938173250303
Energy: 1.6980311249584301
Energy: 1.3438150902696384
Energy: 1.4272608162009002
Energy: 1.4106458636457662
Energy: 1.2772829660700442
Energy: 1.7197904314948498
Energy: 1.6983106123731018
Energy: 1.746644169361158
Energy: 1.2755580963717534
Energy: 1.4120851109428325
Energy: 1.5908390296340085
Energy: 1.7477680134261158
Energy: 1.6862713340125728
Energy: 1.6700623188967976
Energy: 1.2802761391775037
Energy: 1.5889751612128986
Energy: 1.2785828276792333
Energy: 1.6849640038774951
Energy: 1.7831523951475723
Energy: 1.6859716979786992
Energy: 1.2807992169435558
Energy: 1.589139904449987
Energy: 1.2813495028989954
Energy: 1.7927014958538805
Energy: 1.8381775617876772
Energy: 1.7473729431728169
Energy: 1.277180964691254
Energy: 1.2769729503509244
Energy: 1.2768519283116975
Energy: 1.9200092614642192
Energy: 1.851734221548067
Energy: 1.2786997527667678
Energy: 1.2751491479894788
Energy: 1.275758637663074
Energy: 1.2768018683196516
Energy: 1.4702689364486174
Energy: 1.7683349296264077
Energy: 1.2809247850138943
Energy: 1.28072866984579
Energy: 1.2741695249023726
Energy: 1.2791372210567187
Energy: 1.5290406469417421
Energy: 1.7005478911822802
Energy: 1.3462857043226035
Energy: 1.2775660093226937
Energy: 1.2745251735329584
Energy: 1.2795747947629246
Energy: 1.7499736514999091
Energy: 1.807931733994217
Energy: 1.592736190004415
Energy: 1.478209082534485
Energy: 1.4249529298848946
Energy: 1.2801899964129373
Energy: 1.6853808560475025
Energy: 1.6800411237924018
Energy: 1.682499664037402
Energy: 1.271228034517173
Energy: 1.5675741165045332
Energy: 1.5211258390294138
Energy: 1.6808479719120812
Energy: 1.6992133821125153
Energy: 1.7192036848086596
Energy: 1.2767522694248907
Energy: 1.5561112617529902
Energy: 1.4958266149235198
Energy: 1.6858333870554705
Energy: 1.5481060203354753
Energy: 1.7728182901327332
Energy: 1.4283658934114676
Energy: 1.4108686883359296
Energy: 1.3444989479291862
Energy: 1.7457335151616482
Energy: 1.6845983391114079
Energy: 1.340451655496893
Energy: 1.4343321988803472
Energy: 1.4258293724495343
Energy: 1.426721369734029
Energy: 1.4202072382739797
Energy: 1.6703231065813984
Energy: 1.2756086873621142
Energy: 1.425881774438518
Energy: 1.4130148011016481
Energy: 1.4266043886170334
Energy: 1.6310896301089943
Energy: 1.7922462211346757
Energy: 1.703354985765762
Energy: 1.418527203544581
Energy: 1.419130708836896
Energy: 1.4190319865029277
Energy: 2.0062893834425792
Energy: 1.6370777881694196
Energy: 1.4290992641025146
Energy: 1.410753995990654
Energy: 1.766601773127935
Energy: 1.4262559653373414
Energy: 1.4789312415767328
Energy: 1.4108966951350288
Energy: 1.4197145984359336
Energy: 1.5682931624637302
Energy: 1.8087216976122953
Energy: 1.3313526883440858
Energy: 1.411609860146281
Energy: 1.4082270980373786
Energy: 1.4271266391916646
Energy: 1.2797559567944181
Energy: 1.6702649204583768
Energy: 1.2785849207267612
Energy: 1.4283113486918066
Energy: 1.4093280517205296
Energy: 1.2783142211310845
Energy: 1.4779572059810364
Energy: 1.69906998814336
Energy: 1.3409751799341856
Energy: 1.4330888765616694
Energy: 1.4120872742509167
Energy: 1.342629014262375
Energy: 1.7476403280987982
Energy: 1.6974293168214831
Energy: 1.7464300024628854
Energy: 1.413570213069659
Energy: 1.667086006020084
Energy: 1.2794449395984522
Energy: 1.6844736407368868
Energy: 1.685755841588952
Energy: 1.605622340826167
Energy: 1.4206809330061632
Energy: 1.6662610639149207
Energy: 1.2821701610454652
Energy: 1.7496404568933557
Energy: 1.7497840923917742
Energy: 1.6703656685579737
Energy: 1.420868238860158
Energy: 1.2782277700252567
Energy: 1.4119703285174015
Energy: 1.7475832804528288
Energy: 1.7626027956092605
Energy: 1.7465750217359453
Energy: 1.413703573505538
Energy: 1.2760377669574356
Energy: 1.274722326728907
Energy: 1.342014946474169
Energy: 1.8371070938604204
Energy: 1.2834378744825583
Energy: 1.2717801685693326
Energy: 1.2717047781338946
Energy: 1.2792477483328781
Energy: 1.2806264887362784
Energy: 1.766684914179554
Energy: 1.2789692261509737
Energy: 1.2849738180030537
Energy: 1.2771603960938385
Energy: 1.2766990875148503
Energy: 1.4781480068462722
Energy: 1.70413247233055
Energy: 1.2820002068442264
Energy: 1.2755533471605625
Energy: 1.4185113941702028
Energy: 1.479311893544602
Energy: 1.7471332348325415
Energy: 1.698508667288243
Energy: 1.476906172346153
Energy: 1.419590782079036
Energy: 1.7673460148970426
Energy: 1.47988553770395
Energy: 1.7497173623704045
Energy: 1.6812061676526626
Energy: 1.522218241117594
Energy: 1.5657346020626315

minimum gb energy = 1.271228034517173 eV
minimum distance =  2.2324465104163 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.9860535895112734
Energy: 1.9193602471401316
Energy: 1.4103281052071672
Energy: 1.4170437276499348
Energy: 1.411154345357467
Energy: 1.9154734726439737
Energy: 1.754400299082917
Energy: 1.1093614305974733
Energy: 1.1111315910714523
Energy: 1.4223792203595462
Energy: 1.1099592467196426
Energy: 1.418417438341436
Energy: 1.4180567123116474
Energy: 1.1098450045078767
Energy: 1.1111246166983233
Energy: 1.054404982723757
Energy: 1.1091314587062082
Energy: 1.416649302979525
Energy: 1.4198873836137582
Energy: 1.4991037902919007
Energy: 1.1150159142385558
Energy: 1.4170860620417443
Energy: 1.1142599780933755
Energy: 1.497601329765701
Energy: 1.417621664734129
Energy: 1.4189290846338862
Energy: 1.1103660365079446
Energy: 1.4193569991532013
Energy: 1.109064070403707
Energy: 1.4182822326102493
Energy: 1.4094418570040208
Energy: 1.4108078240902353
Energy: 1.8870764517586698
Energy: 1.4083226344709923
Energy: 1.8849334130646829
Energy: 1.411368304240062
Energy: 1.7622025804456416
Energy: 1.5078885894988878
Energy: 1.413590320566094
Energy: 1.4180605232375851
Energy: 1.4968055613568614
Energy: 1.7536535433427656
Energy: 1.7531064630371578
Energy: 1.1106814842657602
Energy: 1.419310298273257
Energy: 1.4370346790928292
Energy: 1.110304309582467
Energy: 1.921379634041603
Energy: 1.4133303068371104
Energy: 1.4983652102295792
Energy: 1.1148999260724086
Energy: 1.0543033872578726
Energy: 1.1096270917114182
Energy: 1.4119325302917687
Energy: 1.4260317050171463
Energy: 1.113010099238891
Energy: 1.1139676288680287
Energy: 1.5323346877765949
Energy: 1.1134470154100302
Energy: 1.4198930738295774
Energy: 1.4215675304863542
Energy: 1.5012252501140444
Energy: 1.1125423588791106
Energy: 1.4370256801836376
Energy: 1.1126891385482602
Energy: 1.4992387855241587
Energy: 1.411428887819128
Energy: 1.4171085177303642
Energy: 1.1146069177092568
Energy: 1.4069244621651726
Energy: 1.1119590084182007
Energy: 1.4174988281714997
Energy: 1.4157052342761265
Energy: 1.4175897680682414
Energy: 1.1120281891595063
Energy: 1.534791774809566
Energy: 1.1123399326797747
Energy: 1.4110556514149117
Energy: 1.7638185048645802
Energy: 1.5008146047556863
Energy: 1.410166375281405
Energy: 1.437803057407042
Energy: 1.4187499649831634
Energy: 1.9177561797677005

minimum gb energy = 1.0543033872578726 eV
minimum distance =  2.27128486021137 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.235489689326485
Energy: 1.3322953633307706
Energy: 1.3348160711911843
Energy: 1.5480805712858066
Energy: 1.3349918561564724
Energy: 2.0976613249981146
Energy: 1.3299578578957088
Energy: 1.5213496254015073
Energy: 1.4072751619825856
Energy: 1.4674362597757329
Energy: 1.4040251128811994
Energy: 1.3403996824533497
Energy: 1.3398162365289799
Energy: 1.351753543970926
Energy: 1.5621114964199678
Energy: 1.3340505556862219
Energy: 1.5648023340657453
Energy: 1.3535392539869473
Energy: 1.3411360460515303
Energy: 1.3523108524959828
Energy: 1.5202011901144616
Energy: 1.3346119195522383
Energy: 1.3720382488547795
Energy: 1.354476159903596
Energy: 1.3402325282412848
Energy: 1.3525225279583195
Energy: 1.520617394691507
Energy: 1.4673344717779224
Energy: 1.3519469796244574
Energy: 1.352808150689359
Energy: 1.3396363966085088
Energy: 1.3512006836788089
Energy: 1.9120939102590127
Energy: 1.334746143695631
Energy: 1.9127111730053554
Energy: 1.3543929055884214
Energy: 1.3361719358508717
Energy: 1.5203454862527852
Energy: 1.338808255387112
Energy: 1.3346511539173949
Energy: 1.3383706859212077
Energy: 1.4014743999788577
Energy: 1.4908966562518018
Energy: 1.5339189636821975
Energy: 1.345547614125881
Energy: 1.3405196906597878
Energy: 1.3335298820970087
Energy: 1.3304974230878803
Energy: 1.3400666243105903
Energy: 1.3590074021154737
Energy: 1.4043307698678449
Energy: 1.3301220948204586
Energy: 1.5288692250969012
Energy: 1.3542848427103964
Energy: 1.3411530891946428
Energy: 1.341092395844803
Energy: 1.520494933998757
Energy: 1.329978665453406
Energy: 1.529101008425325
Energy: 1.3434353847083902
Energy: 1.4702171520115501
Energy: 1.5411711403707506
Energy: 1.3992697527528706
Energy: 1.340579625417021
Energy: 1.533815494419308
Energy: 1.5391651754228008
Energy: 1.4693171250054142
Energy: 1.5338575549602567
Energy: 1.5430738454242672
Energy: 1.4695956545478395
Energy: 1.5353623483926049
Energy: 1.4706674852641
Energy: 1.341121031266573
Energy: 1.5400258200699757
Energy: 1.4699035759442551
Energy: 1.4704007421349503
Energy: 1.46941616250145
Energy: 1.5219035178619789
Energy: 1.3295964079185556
Energy: 1.3510880417773063
Energy: 1.3510045904774892
Energy: 1.3417569367657574
Energy: 1.351821856303225
Energy: 1.5633661061100197
Energy: 1.3403946672641132
Energy: 1.520848849844683
Energy: 1.3445889593142502
Energy: 1.3417553124304185
Energy: 1.5213136517692851
Energy: 1.335223586504066
Energy: 1.3409144280036125
Energy: 1.3410484183224054
Energy: 1.3316418612596344
Energy: 2.098312823260391
Energy: 1.3341246656073698
Energy: 1.3416657500397673
Energy: 1.4675494572088656
Energy: 1.4051232449825526
Energy: 1.5203460518516965
Energy: 1.3301087021173237
Energy: 1.5210437620663053
Energy: 1.3365679452819916
Energy: 1.5966971461282926
Energy: 1.564063853477004
Energy: 1.352354287934764
Energy: 1.338595311095526
Energy: 1.3516397503799031
Energy: 1.7054070022733012
Energy: 1.4678945934655718
Energy: 1.352958501609937
Energy: 1.3529393535805578
Energy: 1.3502384966768017
Energy: 1.3538125852784695
Energy: 1.3342295765842502
Energy: 1.465630266648485
Energy: 1.3524763280974872
Energy: 1.3528124516026592
Energy: 1.350887108534106
Energy: 1.3527199048390468
Energy: 1.4041947471926586
Energy: 1.3329783562071056
Energy: 1.911144668166898
Energy: 1.3517837741409342
Energy: 1.3398172680972134
Energy: 1.3509629265840633
Energy: 1.9116362637810345
Energy: 1.3349608491949319
Energy: 1.334175459274232
Energy: 1.5200763088545273
Energy: 1.3355243623351043
Energy: 1.520307642967459
Energy: 1.3375522202153085
Energy: 1.340705658456887
Energy: 1.342654674133158
Energy: 1.9031477213568133
Energy: 1.329081842811933
Energy: 1.6840038160807966
Energy: 1.3430408209453635
Energy: 1.3299119462196465
Energy: 1.520024331628324
Energy: 1.350911238674435
Energy: 1.3409017733036226
Energy: 1.5209046856096038
Energy: 1.3310583238528555
Energy: 1.3298882020859402
Energy: 1.5289124167442856
Energy: 1.3402819736907312
Energy: 1.3402914145165903
Energy: 1.3516954564120676
Energy: 1.3309857917054173
Energy: 1.3406735389020412
Energy: 1.400870436932938
Energy: 1.4698891169823278
Energy: 1.4704578213247967
Energy: 1.4708312170666937
Energy: 1.4721261176888676
Energy: 1.4694020794423093
Energy: 1.5339363800160257
Energy: 1.53400344419714
Energy: 1.4696579646046655
Energy: 1.4062913901718805
Energy: 1.4697314751083812
Energy: 1.4698895664198073
Energy: 1.4720805256216136
Energy: 1.3995493280303837
Energy: 1.3413586501306018
Energy: 1.5406496367119804
Energy: 1.4705791008926272
Energy: 1.3412011503248102
Energy: 1.3514737617172987
Energy: 1.5287059803856273
Energy: 1.3294445008809619
Energy: 1.3510732607484297
Energy: 1.3414180550263397
Energy: 1.340904356403265
Energy: 1.3407595960695633
Energy: 1.5436310147677061
Energy: 1.3343585117945478
Energy: 1.5202359613499135
Energy: 1.3545059510724842
Energy: 1.6326991984088381
Energy: 1.5344125795045882
Energy: 1.345706600931512
Energy: 1.340831177915932
Energy: 1.3427691274453977
Energy: 1.7060254586535566

minimum gb energy = 1.329081842811933 eV
minimum distance =  2.24246813724611 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.321829128533539
Energy: 1.4690340838459974
Energy: 1.5445660787422786
Energy: 1.5424538969473107
Energy: 1.5664220494690242
Energy: 2.119567099443614
Energy: 1.407497330376331
Energy: 1.475365743652014
Energy: 1.4726874434472113
Energy: 1.4243038709987599
Energy: 1.4715217739413253
Energy: 1.4909119740871393
Energy: 1.423782721939272
Energy: 1.4261427426167128
Energy: 1.4885722125580778
Energy: 1.4669236249551139
Energy: 1.4906228716755825
Energy: 1.426872035366394
Energy: 1.4248378173533118
Energy: 1.4485050539066358
Energy: 1.487518279608102
Energy: 1.4264651119000467
Energy: 1.4493152458089444
Energy: 1.448333644601978
Energy: 1.4256139654782902
Energy: 1.4482811269304041
Energy: 1.4756915361488165
Energy: 1.424790014960274
Energy: 1.4473549363478377
Energy: 1.450033164914386
Energy: 1.4243054602689107
Energy: 1.4865205910665689
Energy: 1.8060555991948195
Energy: 1.4244683695092608
Energy: 1.4912558409125631
Energy: 1.4270702988629975
Energy: 1.4187374965687327
Energy: 1.4873343687406808
Energy: 1.425751719506368
Energy: 1.4252381925308981
Energy: 1.4261576605218764
Energy: 1.471914519815935
Energy: 1.422497759838885
Energy: 1.4901103007736147
Energy: 1.4275086287634517
Energy: 1.424391693686405
Energy: 1.4255997216678202
Energy: 1.4933884786835085
Energy: 1.4237628845302397
Energy: 1.4296062787319423
Energy: 1.4092224327639797
Energy: 1.4077182928882912
Energy: 1.4873221094339724
Energy: 1.4267675094040602
Energy: 1.4239260514755308
Energy: 1.4254488959391645
Energy: 1.4089670908456275
Energy: 1.4077553655947237
Energy: 1.487085886022541
Energy: 1.4254089554283211
Energy: 1.408004456175815
Energy: 1.491999116754053
Energy: 1.486992678305098
Energy: 1.4243774386387194
Energy: 1.4880151416516227
Energy: 1.4909600040724154
Energy: 1.4079178326645925
Energy: 1.4867110498943616
Energy: 1.4499856605164154
Energy: 1.4253076826761528
Energy: 1.4489315061349202
Energy: 1.4708811798065973
Energy: 1.4256949130730219
Energy: 1.4795835389836485
Energy: 1.4500882812710274
Energy: 1.426304811492879
Energy: 1.4489242545018903
Energy: 1.425963685099441
Energy: 1.4239508240210446
Energy: 1.491238769834887
Energy: 1.4268332980014808
Energy: 1.4273149179901918
Energy: 1.4876419496223536
Energy: 1.8039429524217439
Energy: 1.4249557542490725
Energy: 1.4720217740302257
Energy: 1.4885343626941725
Energy: 1.4244936886730384
Energy: 1.4732838399500647
Energy: 1.4260901100745917
Energy: 1.424566355479473
Energy: 1.427609592985615
Energy: 1.4464611974115236
Energy: 1.7917757416412
Energy: 1.4469482653847876
Energy: 1.427770352551571
Energy: 1.4076744502161636
Energy: 1.4879969998249352
Energy: 1.4900836361285852
Energy: 1.4250351368573158
Energy: 1.4717078365280283
Energy: 1.4270258857051508

minimum gb energy = 1.407497330376331 eV
minimum distance =  2.26735347130586 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.512956216997109
Energy: 1.4612736685423335
Energy: 1.5530140064760638
Energy: 1.5539787299016061
Energy: 1.5530371236593632
Energy: 1.461132772320897
Energy: 1.4823821733835516
Energy: 1.6084909612470586
Energy: 1.476856821073133
Energy: 1.4724781253755563
Energy: 1.5582576445869654
Energy: 1.5680279858204043
Energy: 1.4697290513425363
Energy: 1.4752452877843758
Energy: 1.6250492095211915
Energy: 1.622883966909423
Energy: 1.56567535590098
Energy: 1.472255231780203
Energy: 1.4944830952315804
Energy: 1.4727720227679637
Energy: 1.4722645593637704
Energy: 1.4731925500473528
Energy: 1.5896591226889698
Energy: 1.4730584848775925
Energy: 1.495240920804593
Energy: 1.562619977018232
Energy: 1.5179873116638967
Energy: 1.4983334079639505
Energy: 1.51799412314685
Energy: 1.56200472701188
Energy: 1.4708979813918606
Energy: 1.5172749264893852
Energy: 1.5640844415169741
Energy: 1.4956035635049936
Energy: 1.5625763158112247
Energy: 1.4747321735155
Energy: 1.4681704186764153
Energy: 1.499028376253874
Energy: 1.4731417718659934
Energy: 1.4726147806974486
Energy: 1.4715702812299278
Energy: 1.5367116526999993
Energy: 1.4653269039795662
Energy: 1.5683349411858252
Energy: 1.4890954633414863
Energy: 1.4669471098050406
Energy: 1.4965312555059085
Energy: 1.566175509713814
Energy: 1.4730525852792247
Energy: 1.472481272760256
Energy: 1.5950448879602537
Energy: 1.5003790685997704
Energy: 1.568637869487219
Energy: 1.472720279089852
Energy: 1.466318769268726
Energy: 1.4766750900532195
Energy: 1.5948178178493755
Energy: 1.4931953800306077
Energy: 1.5670699764710527
Energy: 1.4732735744615024
Energy: 1.4876114375016476
Energy: 1.5677604936546063
Energy: 1.4865801390087503
Energy: 1.4671471551817539
Energy: 1.4869469339138228
Energy: 1.4971519834701617
Energy: 1.4825975174586667
Energy: 1.5348080969262319
Energy: 1.472530428396535
Energy: 1.4726869894396741
Energy: 1.5005238880064036
Energy: 1.5851124193313217
Energy: 1.4656636352535901
Energy: 1.4754086741309056
Energy: 1.595664423726532
Energy: 1.4962590494588672
Energy: 1.5646470260873184
Energy: 1.485402596896659
Energy: 1.4690803042146114
Energy: 1.4993541510086619
Energy: 1.5357827906734172
Energy: 1.496951740689075
Energy: 1.4997148507293225
Energy: 1.4724904133701728
Energy: 1.4954715074588376
Energy: 1.563550526544575
Energy: 1.472631419994625
Energy: 1.4720319161705713
Energy: 1.5182495335564548
Energy: 1.5635408409378349
Energy: 1.4955912380493044
Energy: 1.5195097571211393
Energy: 1.5598765276264672
Energy: 1.5623213358677168
Energy: 1.5643815329170543
Energy: 1.4994149287532268
Energy: 1.4700568791629116
Energy: 1.5784476988257554
Energy: 1.473659335813108
Energy: 1.4987793108135181
Energy: 1.4723429251220848
Energy: 1.5658716331975215
Energy: 1.4665585171315165
Energy: 1.5657257894801113
Energy: 1.4740595726614827
Energy: 1.4670681516279338
Energy: 1.4749301717766188
Energy: 1.567065685533592
Energy: 1.4728581440672375
Energy: 1.5015466250403129
Energy: 1.5595498961109546
Energy: 1.4730756209015181
Energy: 1.5576155685090218
Energy: 1.5012779890470163
Energy: 1.5532168863719964
Energy: 1.5552325987060571
Energy: 1.473384890731989
Energy: 1.5901750806699282
Energy: 1.4865703106689212
Energy: 1.555137120543177
Energy: 1.4827757361969744
Energy: 1.5293084083645745
Energy: 1.4754493047150405
Energy: 1.4669795844107179
Energy: 1.5966997472426268
Energy: 1.477245875183712

minimum gb energy = 1.461132772320897 eV
minimum distance =  2.28111096310734 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.1069162692550534
Energy: 1.5319446557176233
Energy: 1.5758288418271695
Energy: 1.57563652942805
Energy: 1.5757098982643676
Energy: 1.5333453446085856
Energy: 1.477968965025401
Energy: 1.6225416751901827
Energy: 1.4896960833020627
Energy: 1.488112497945743
Energy: 1.6217633055067706
Energy: 1.4883544020003545
Energy: 1.4783402541258468
Energy: 1.4980504443754894
Energy: 1.6198953710679667
Energy: 1.6201921395666685
Energy: 1.621147041117183
Energy: 1.495033272144454
Energy: 1.4850105320460312
Energy: 1.4949451223697934
Energy: 1.6191780651283854
Energy: 1.4876480560972105
Energy: 1.6579142302195842
Energy: 1.4959722365765735
Energy: 1.49088347065499
Energy: 1.6450692666035684
Energy: 1.542774683920361
Energy: 1.503296991021437
Energy: 1.5451819078872244
Energy: 1.6418755732809402
Energy: 1.465573452108829
Energy: 1.556109296354346
Energy: 1.541568256049483
Energy: 1.5040299444751861
Energy: 1.542216874751763
Energy: 1.4643884725551155
Energy: 1.448883517782885
Energy: 1.5711594460750196
Energy: 1.546950136145508
Energy: 1.5476204551453145
Energy: 1.5478998832232618
Energy: 1.6527322516314356
Energy: 1.4487687848140796
Energy: 1.652616110548869
Energy: 1.5246188132680136
Energy: 1.5013411386245312
Energy: 1.5707793248827324
Energy: 1.4577419844353932
Energy: 1.4492110191924543
Energy: 1.4871629035338432
Energy: 1.5128046727866784
Energy: 1.5016605145564614
Energy: 1.489722347352271
Energy: 1.4867677090345504
Energy: 1.4486681732102937
Energy: 1.4338730190445366
Energy: 1.4347989174874256
Energy: 1.5018032577457752
Energy: 1.5130785189807963
Energy: 1.4347972366436705
Energy: 1.4757860225320079
Energy: 1.701623642012363
Energy: 1.509548687295552
Energy: 1.4762557443202688
Energy: 1.502475942285531
Energy: 1.4609291972041096
Energy: 1.4860971241068246
Energy: 1.7049045775521936
Energy: 1.468143570928142
Energy: 1.4695531449755583
Energy: 1.4868727525094936
Energy: 1.4379620710227092
Energy: 1.449025694752582
Energy: 1.449959746807669
Energy: 1.4335526750649332
Energy: 1.4326632118616058
Energy: 1.434221852740318
Energy: 1.451699871500641
Energy: 1.4495950558736215
Energy: 1.43494466446872
Energy: 1.6137223585754927
Energy: 1.46982529548446
Energy: 1.4332641255553418
Energy: 1.4345798273151222
Energy: 1.4444396346959532
Energy: 1.704297796059698
Energy: 1.4860166324157826
Energy: 1.4692569653479757
Energy: 1.4852372298783523
Energy: 1.6272484394921098
Energy: 1.4679220065388814
Energy: 1.595507313192395
Energy: 1.5166661932221315
Energy: 1.5002532630237773
Energy: 1.5903177877700418
Energy: 1.4357547755068083
Energy: 1.4478145590943616
Energy: 1.4495644201784534
Energy: 1.5234273163912528
Energy: 1.5233017744930966
Energy: 1.5153862622884429
Energy: 1.4490963106193337
Energy: 1.4885921507567172
Energy: 1.5335855446227347
Energy: 1.5760885406708836
Energy: 1.4996362675038808
Energy: 1.558776482251179
Energy: 1.534161311987483
Energy: 1.4641294331315142
Energy: 1.5520441816335222
Energy: 1.6225865244942836
Energy: 1.4811000996269656
Energy: 1.5495279075194934
Energy: 1.551222058301582
Energy: 1.4639821653382437
Energy: 1.5745003994166678
Energy: 1.6514734147084036
Energy: 1.649480837842888
Energy: 1.6506080207129878
Energy: 1.4893102956130693
Energy: 1.488355385063991
Energy: 1.4969488979518875
Energy: 1.5001699979290153
Energy: 1.4959947472382438
Energy: 1.4936602504870875
Energy: 1.6213377087559102
Energy: 1.4454386536583772
Energy: 1.6209674258647293
Energy: 1.493831857148704
Energy: 1.4768125665956955
Energy: 1.6152329557734033
Energy: 1.6212382760858615
Energy: 1.4883523945158865
Energy: 1.4911662284962395
Energy: 1.5327055354107468
Energy: 1.4862382145970159
Energy: 1.6208218862599706
Energy: 1.4899669314367239
Energy: 1.5369305070273618
Energy: 1.479892445460779
Energy: 1.5874083847349996
Energy: 1.4882198832820632
Energy: 1.5071725647308276
Energy: 1.461864524470011
Energy: 1.477687029442578
Energy: 1.6220746108898971
Energy: 1.489290535874736
Energy: 1.5564524881482067
Energy: 1.4893309082060393
Energy: 1.6284825210070357

minimum gb energy = 1.4326632118616058 eV
minimum distance =  2.26396254953008 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.084240130673721
Energy: 1.4020725029354804
Energy: 1.4609703977678683
Energy: 1.4613808707496
Energy: 1.4608678650776339
Energy: 1.3933649296461013
Energy: 1.3761235620539183
Energy: 1.5856324542307674
Energy: 1.3985805759840333
Energy: 1.399547045636352
Energy: 1.4000132010696802
Energy: 1.3996815198616588
Energy: 1.387389237840973
Energy: 1.3891843797657473
Energy: 1.7252225942234192
Energy: 1.7237428954298133
Energy: 1.3910677612052316
Energy: 1.3873686810950963
Energy: 1.3891630132504817
Energy: 1.388576928728781
Energy: 1.3906605510853831
Energy: 1.3995289556273562
Energy: 1.6423417814521077
Energy: 1.3903675823270298
Energy: 1.3759127537885363
Energy: 1.5416106156585
Energy: 1.429054032246892
Energy: 1.3905730830364709
Energy: 1.4766319098216323
Energy: 1.541423888802774
Energy: 1.3893042939282267
Energy: 1.3907241341330632
Energy: 1.430205864310272
Energy: 1.390034766734569
Energy: 1.4770779632921187
Energy: 1.3897022493239617
Energy: 1.3996712065307761
Energy: 1.523813797857683
Energy: 1.508363736439037
Energy: 1.508728232839474
Energy: 1.5234997656079265
Energy: 1.509024092763788
Energy: 1.3994965130984875
Energy: 1.508404232761051
Energy: 1.3909023443499573
Energy: 1.3911269410008966
Energy: 1.4881380203094159
Energy: 1.5089412755140466
Energy: 1.3970159312846182
Energy: 1.4773102057433882
Energy: 1.429267898243523
Energy: 1.390871517330001
Energy: 1.4285138811811096
Energy: 1.477036816043256
Energy: 1.3990764439772492
Energy: 1.3896494602159641
Energy: 1.64241703224843
Energy: 1.3905813673321312
Energy: 1.642406077771372
Energy: 1.390797438423093
Energy: 1.38484901856707
Energy: 1.4437729180452137
Energy: 1.387677781523394
Energy: 1.3905462698007753
Energy: 1.4436876556014737
Energy: 1.3875535797208427
Energy: 1.3992071640946802
Energy: 1.4002703906286518
Energy: 1.391281498526859
Energy: 1.3876086696068786
Energy: 1.3992063263276424
Energy: 1.5852582551477796
Energy: 1.3994455983626781
Energy: 1.400351601770597
Energy: 1.3849228860547076
Energy: 1.39476056161912
Energy: 1.3913347712296165
Energy: 1.4005912086802959
Energy: 1.3915882923539384
Energy: 1.4001861566414697
Energy: 1.3877528171158677
Energy: 1.3952194742947186
Energy: 1.3902203134219266
Energy: 1.401339953345096
Energy: 1.389574149152089
Energy: 1.3903093037199574
Energy: 1.3888290765693692
Energy: 1.4606144500646714
Energy: 1.387733214381502
Energy: 1.3933582643580873
Energy: 1.3762540354411448
Energy: 1.5854968164606762
Energy: 1.3996775207763381
Energy: 1.3997153958935515
Energy: 1.3910922156560388
Energy: 1.3764253735175687
Energy: 1.3927480804852552
Energy: 1.3876216962474337
Energy: 1.7242194323648825
Energy: 1.394675958838273
Energy: 1.585078982904582
Energy: 1.387242897586106
Energy: 1.3898952503321857
Energy: 1.3910230905634913
Energy: 1.641576003944228
Energy: 1.3913977602000698
Energy: 1.389946010813459
Energy: 1.3899025143025128
Energy: 1.3760460651749933
Energy: 1.5421482850605417
Energy: 1.4286978691254315
Energy: 1.3995539018157193
Energy: 1.429304311350187
Energy: 1.6410019285025306
Energy: 1.3894635610772055
Energy: 1.586129214413173
Energy: 1.4756907610414702
Energy: 1.3916991646601136
Energy: 1.4778610161135441
Energy: 1.391166355733438
Energy: 1.3903681907784013
Energy: 1.5968262587485853
Energy: 1.5087496764390587
Energy: 1.4912996298237617
Energy: 1.5227096206908806
Energy: 1.3909622330821758
Energy: 1.3994456713108576
Energy: 1.5082385738515158
Energy: 1.3914039926393682
Energy: 1.3908270486311012
Energy: 1.4869683668104408
Energy: 1.508605485977565
Energy: 1.3892588038735705
Energy: 1.4293149979491517
Energy: 1.5032091996831731
Energy: 1.3904836983243576
Energy: 1.4744801520628255
Energy: 1.474689067994937
Energy: 1.3996005270553646
Energy: 1.428521531027729
Energy: 1.6413249008216353
Energy: 1.3913747744601737
Energy: 1.6405487893728559
Energy: 1.4003522226611718
Energy: 1.3993767277577978
Energy: 1.3882864660277967
Energy: 1.3920226136808074
Energy: 1.3919128138237349
Energy: 1.3876408477206634
Energy: 1.6406487367099487
Energy: 1.3848075857523152
Energy: 1.388044052876985
Energy: 1.3866400893745003
Energy: 1.3874763947589523
Energy: 1.387503558469256
Energy: 1.4005386155828294
Energy: 1.3994545355040122
Energy: 1.4000557837432897
Energy: 1.390759484078725
Energy: 1.395029091112339
Energy: 1.3907089352552473
Energy: 1.4012580086692035
Energy: 1.3873197649005078
Energy: 1.3996090035876068
Energy: 1.5796240069763645
Energy: 1.3950131903630463
Energy: 1.399550083952161
Energy: 1.3894859275752962
Energy: 1.3896623068737317
Energy: 1.4003787420017595
Energy: 1.399553006171227
Energy: 1.4605898783920832
Energy: 1.3909544610577853
Energy: 1.3919997877524146

minimum gb energy = 1.3759127537885363 eV
minimum distance =  2.26561310883248 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.1785801020221918
Energy: 1.319232445955534
Energy: 1.3942957269797
Energy: 1.3936870979184353
Energy: 1.3944147281338444
Energy: 1.711700986782031
Energy: 1.3182058494993298
Energy: 1.3266330337973373
Energy: 1.326546290744506
Energy: 1.3222727841816613
Energy: 1.326689694097682
Energy: 1.327657707021137
Energy: 1.3292633014228274
Energy: 1.3302039862403
Energy: 1.3306953521980331
Energy: 1.3205044876546779
Energy: 1.3309303880782914
Energy: 1.3302441573129007
Energy: 1.3392802055148842
Energy: 1.3298516182916067
Energy: 1.3258598822339387
Energy: 1.3226864412432207
Energy: 1.3305654654289452
Energy: 1.3299993162216854
Energy: 1.3188016637256903
Energy: 1.3776110560592885
Energy: 1.3778779581910368
Energy: 1.3279287189633697
Energy: 1.37708834135834
Energy: 1.5508926964137173
Energy: 1.3387712230607451
Energy: 1.3293934292907854
Energy: 1.37882330955629
Energy: 1.3235007690588239
Energy: 1.3762684467206068
Energy: 1.3292283697483231
Energy: 1.3400128157130904
Energy: 1.4452758920292443
Energy: 1.4609911536277866
Energy: 1.510593017456654
Energy: 1.462901076934563
Energy: 1.444673067238363
Energy: 1.3392222972589372
Energy: 1.4454252381397752
Energy: 1.3230438837931389
Energy: 1.323643007359979
Energy: 1.4723215661434246
Energy: 1.3302270951711839
Energy: 1.3394304907835544
Energy: 1.4459236237913684
Energy: 1.4605865477481434
Energy: 1.3225960137313033
Energy: 1.4655045547651875
Energy: 1.44515882166186
Energy: 1.340121402222476
Energy: 1.3301680496671866
Energy: 1.5115528974376797
Energy: 1.3224601752385048
Energy: 1.5099879696325254
Energy: 1.3302535560012738
Energy: 1.3400588484204752
Energy: 1.3761994227534968
Energy: 1.3796327085947346
Energy: 1.3771505006884919
Energy: 1.3770656794317453
Energy: 1.3759309094270298
Energy: 1.3394102307746112
Energy: 1.3775089136445309
Energy: 1.3281741316034616
Energy: 1.323084296204492
Energy: 1.326020002077234
Energy: 1.330839227021078
Energy: 1.3396372715573581
Energy: 1.3303300699804927
Energy: 1.3253273452758512
Energy: 1.3374851548295772
Energy: 1.325333203813014
Energy: 1.3309314656826365
Energy: 1.324981859002384
Energy: 1.3261071820825072
Energy: 1.5242287937403045
Energy: 1.3370631169850438
Energy: 1.3267357249026481
Energy: 1.3233956158769162
Energy: 1.3191227504365126
Energy: 1.3225475090143346
Energy: 1.325966216774445
Energy: 1.3227809969375637
Energy: 1.322116402721239
Energy: 1.3217944275681148
Energy: 1.319120974472061
Energy: 1.3268031009271033
Energy: 1.3242057139834162
Energy: 1.3253677685404208
Energy: 1.3259920569102885
Energy: 1.3270480040872878
Energy: 1.3928654557306581
Energy: 1.3261894964662408
Energy: 1.3185830980258668
Energy: 1.3504873080294635
Energy: 1.3279334936839204
Energy: 1.3939155497533653
Energy: 1.3219411072995622
Energy: 1.3259612852094582
Energy: 1.3264208578014067
Energy: 1.3186030100275117
Energy: 1.3224364045962398
Energy: 1.3237078895394034
Energy: 1.3179580761480714
Energy: 1.3224094702218459
Energy: 1.330274544513048
Energy: 1.3256691281945572
Energy: 1.3302178718493178
Energy: 1.319902878765802
Energy: 1.3506483101857532
Energy: 1.4697285210552995
Energy: 1.3304294044734977
Energy: 1.3395052002982144
Energy: 1.3301829272588195
Energy: 1.3298136922132768
Energy: 1.3221509468229558
Energy: 1.3767275900519746
Energy: 1.3305469114682054
Energy: 1.550526530788387
Energy: 1.376790831297208
Energy: 1.322508316555072
Energy: 1.3229682159334786
Energy: 1.3758220484811476
Energy: 1.3967129997011851
Energy: 1.3393482822890403
Energy: 1.3762779742236149
Energy: 1.3781367544432943
Energy: 1.322102418370747
Energy: 1.4605008741782552
Energy: 1.4044555127310743
Energy: 1.3306304271766096
Energy: 1.467340062996469
Energy: 1.5097615014011874
Energy: 1.3228574838241585
Energy: 1.4601668124932077
Energy: 1.4448918794663288
Energy: 1.338949236287531
Energy: 1.445526280203081
Energy: 1.325280767685221
Energy: 1.321927611935697
Energy: 1.46598265056815
Energy: 1.4443758820995651
Energy: 1.4050090483002657
Energy: 1.4452344542013345
Energy: 1.464387719795237
Energy: 1.3228243320843978
Energy: 1.5099635014900852
Energy: 1.3295133726336361
Energy: 1.3399371119178658
Energy: 1.4651491234412413
Energy: 1.4606990022920383
Energy: 1.3230805234488008
Energy: 1.3784400899038898
Energy: 1.3782141008408442
Energy: 1.3398721737661987
Energy: 1.3784544886965882
Energy: 1.3783910899600784
Energy: 1.3228527211019587
Energy: 1.3255280314963507
Energy: 1.3768286904338434
Energy: 1.3399501337484674
Energy: 1.3965096595018152
Energy: 1.3263791474367934
Energy: 1.3371763068000426
Energy: 1.3310816929536162
Energy: 1.332303363956609
Energy: 1.3394866853766823
Energy: 1.3304571808520096
Energy: 1.3302549717011622
Energy: 1.3374271036120897
Energy: 1.3255191091357867
Energy: 1.3320339571317865
Energy: 1.3251799171719318
Energy: 1.3229167663842367
Energy: 1.3262155491979897
Energy: 1.3232751255879267
Energy: 1.324473003935825
Energy: 1.3252669479601622
Energy: 1.3193537513730071
Energy: 1.326327371961797
Energy: 1.32396670682485
Energy: 1.3248917706021313
Energy: 1.324344948036894
Energy: 1.325375061066146
Energy: 1.3188228545826
Energy: 1.3236661065632853
Energy: 1.3275802299430906
Energy: 1.3514271441280115
Energy: 1.326233426905684
Energy: 1.325885482070043
Energy: 1.3929451772443826
Energy: 1.327719504317644
Energy: 1.3191937904346869

minimum gb energy = 1.3179580761480714 eV
minimum distance =  2.26787767569264 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014891757339833124
Energy: 0.015684785716235897
Energy: 0.0926369447866204
Energy: 0.087729697939683
Energy: 0.08846871066357681
Energy: 0.01579415847424994
Energy: 0.015026377222275485
Energy: 0.10503578758970113
Energy: 0.10512809118165242
Energy: 0.10643251149545607
Energy: 0.10487613524648014
Energy: 0.10596993698313986
Energy: 0.9468096818420907
Energy: 0.09026667636420015
Energy: 0.015595375894544275
Energy: 0.01680873628596706
Energy: 0.08928573879769405
Energy: 0.08775731362710043
Energy: 0.10521626089719889
Energy: 0.10503578758970113
Energy: 0.10512809118165242
Energy: 0.1064325114961617
Energy: 0.10487613524648014
Energy: 0.10596993698313986

minimum gb energy = 0.014891757339833124 eV
minimum distance =  2.45599997542574 Angstroms
sigma value = 1