Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_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=2.8886456936597833
cohesive_energy=4.17898683463013
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=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012620312812883082
Energy: 0.24203107511131036
Energy: 0.241654183830922
Energy: 0.2421916411632204
Energy: 0.2427261760367867
Energy: 0.012677465588691143
Energy: 0.24203107511131036
Energy: 1.0710883660951045
Energy: 0.24214640153333825
Energy: 0.24156810151179162
Energy: 0.2420689848983907
Energy: 0.24146590411193006
Energy: 0.2416541838304581
Energy: 0.24214640153333825
Energy: 1.0734319664018648
Energy: 0.01291015002307938
Energy: 0.24161830254564978
Energy: 0.24159948405827314
Energy: 0.24219164116371153
Energy: 0.24156810151179162
Energy: 0.01291015002307938
Energy: 0.012809994745693418
Energy: 0.24187477117666087
Energy: 0.24167240734847387
Energy: 0.2427261760367867
Energy: 0.2420689848983907
Energy: 0.24161830254611363
Energy: 0.24187477117619702
Energy: 1.0722211888227167
Energy: 0.2419266255756564
Energy: 0.012677465588691143
Energy: 0.24146590411143895
Energy: 0.24159948405827314
Energy: 0.24167240734751888
Energy: 0.2419266255756564
Energy: 0.01277353503077744

minimum gb energy = 0.012620312812883082 eV
minimum distance =  2.50023505583789 Angstroms
sigma value = 1


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

Energy: 1.978526694848918
Energy: 1.41379931518812
Energy: 1.4288881036833612
Energy: 1.3314132044075497
Energy: 1.4557215506688501
Energy: 1.4559462233198204
Energy: 1.6966565353791516
Energy: 1.5274401569803098
Energy: 1.394594106086855
Energy: 1.5178280445653296
Energy: 1.3947291816858312
Energy: 1.5633269033007822
Energy: 1.4731716469882616
Energy: 1.3796431341217814
Energy: 1.8644652036574865
Energy: 1.4396686674816541
Energy: 1.3941345843545971
Energy: 1.3883454597590603
Energy: 1.3314593145291427
Energy: 1.3822401963451603
Energy: 1.6145222032800965
Energy: 2.276589508489411
Energy: 1.3831357980177537
Energy: 1.4285874604465034
Energy: 1.4428060338583697
Energy: 1.4815619142512764
Energy: 1.3947035353461243
Energy: 1.6624199190104014
Energy: 1.5407190288553456
Energy: 1.4267290387176035
Energy: 1.4435319907922035
Energy: 1.5062924971244163
Energy: 1.5662733079948399
Energy: 1.4431479758637238
Energy: 1.4808189830368015
Energy: 1.4770916981631397
Energy: 1.442742781113022
Energy: 1.4767313566540206
Energy: 1.5186077377823795
Energy: 1.6587718202179935
Energy: 1.5804499376663155
Energy: 1.47682564157821
Energy: 1.6174555820514043
Energy: 1.785403921328855
Energy: 1.7961225386312898
Energy: 1.610819481679678
Energy: 1.4858902857621819
Energy: 1.486941810582323
Energy: 1.3023946865093214
Energy: 1.4774492896747862
Energy: 1.4824061382172629
Energy: 1.6496726529170025
Energy: 1.540142599427524
Energy: 1.6956509762274
Energy: 1.6531117575870553
Energy: 1.4838156772090856
Energy: 1.5655240892855269
Energy: 1.3545556304175477
Energy: 1.478236337400657
Energy: 1.756688329997056
Energy: 1.529281150030663
Energy: 1.7180840117857377
Energy: 1.3995013963802818
Energy: 1.7099968175370457
Energy: 1.7240404098432454
Energy: 1.4775094344013369
Energy: 1.3377666892670406
Energy: 1.3597168425090385
Energy: 1.4460638676388435
Energy: 1.924223987465544
Energy: 1.478834021952124
Energy: 1.3375171013968243
Energy: 1.435894878006111
Energy: 1.3879872645216775
Energy: 1.4455809025596116
Energy: 1.5714053536479058
Energy: 1.4787166956735016
Energy: 1.4598718854310477
Energy: 1.5191403825813952
Energy: 1.4308892808084763
Energy: 1.4160918226834882
Energy: 1.5168341500617966
Energy: 1.394703059643861
Energy: 1.4230020194239483
Energy: 2.303502264715534
Energy: 1.3797138642564233
Energy: 1.4573633774571653
Energy: 1.3329907869898332
Energy: 1.3826876604473208
Energy: 1.5424186197458714
Energy: 1.3337261500682005
Energy: 1.4784269000556716
Energy: 1.379345516308602
Energy: 1.3457438928132979
Energy: 1.3791290402803364
Energy: 1.5387163895612643
Energy: 1.612256659622877
Energy: 1.4776004888835232
Energy: 1.4774226256823526
Energy: 1.61454656898939
Energy: 1.480791348264022
Energy: 1.3998669366524847
Energy: 1.3446621701193595
Energy: 1.5529884457856562
Energy: 1.4857670166623627
Energy: 2.289641082475521
Energy: 1.4849956846212835
Energy: 1.4874694057628892
Energy: 1.3484711075990157
Energy: 1.5416373257977003
Energy: 1.4773555867501231
Energy: 1.450935990274721
Energy: 1.4770735224720613
Energy: 1.5432761825562993
Energy: 1.446786696527011
Energy: 1.5754264461207594
Energy: 1.3596852933510364
Energy: 1.4490334144079224
Energy: 1.4818902024001517
Energy: 1.719503568922426
Energy: 1.678054794125551
Energy: 1.5489549596132959
Energy: 1.5628465529881062
Energy: 1.9594635452025193
Energy: 1.4929237111563187
Energy: 1.7288803766706302
Energy: 1.5165547825710985
Energy: 1.7203740138417887
Energy: 1.6987564395171353
Energy: 1.304697798079512
Energy: 1.4776720828820111
Energy: 1.3938218821546953
Energy: 1.5732226813004915
Energy: 1.5271994941944067
Energy: 1.426438988294793
Energy: 1.3452497824627416
Energy: 1.3452001354286802
Energy: 1.5562414131240412

minimum gb energy = 1.3023946865093214 eV
minimum distance =  2.25524489406129 Angstroms
sigma value = 33


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

Energy: 2.6816821589780284
Energy: 1.4141780904262138
Energy: 1.4045841291660652
Energy: 1.3628172898555517
Energy: 1.4157168173687955
Energy: 1.64548351742421
Energy: 1.7030644596569608
Energy: 1.6117546054533087
Energy: 1.4167080913514412
Energy: 1.4473367772151733
Energy: 1.4168201707110881
Energy: 1.5819464257129587
Energy: 1.6275357842950136
Energy: 1.5389102265689816
Energy: 1.5162702324157264
Energy: 1.5310428157006133
Energy: 1.516296029672288
Energy: 1.6106713149687026
Energy: 1.4402578241261155
Energy: 1.5686785353892128
Energy: 1.5263311410973177
Energy: 1.775225104581865
Energy: 1.535507313269895
Energy: 1.4522721388521023
Energy: 1.4903499275339913
Energy: 1.4678662571233418
Energy: 1.6435544454898934
Energy: 1.6567465136114095
Energy: 1.8675194937857127
Energy: 1.5200284250511964
Energy: 1.6335634921508935
Energy: 1.6602109280887334
Energy: 1.6773402792092367
Energy: 1.5009976352865446
Energy: 1.6821288973108863
Energy: 1.9056975987228746
Energy: 1.6304741204747564
Energy: 1.8319806371159266
Energy: 1.6750801658229968
Energy: 1.9177265169217563
Energy: 1.6764300456357402
Energy: 1.838732585275066
Energy: 1.437385182549359
Energy: 1.8351943093101803
Energy: 1.9841845427929614
Energy: 1.5410090589075252
Energy: 1.8887181227745917
Energy: 1.5741810471515407
Energy: 1.5633929421543824
Energy: 1.5167193164400785
Energy: 1.505997281772886
Energy: 1.4400615548755986
Energy: 1.4974702574080114
Energy: 1.6430009818822888
Energy: 2.265470271663599
Energy: 1.5149747426819569
Energy: 1.6197494431880928
Energy: 1.5903150423920562
Energy: 1.6232338401587325
Energy: 1.5435622203641328
Energy: 1.4631518533300745
Energy: 1.419584632207624
Energy: 1.514027405616612
Energy: 1.5667859162567885
Energy: 1.5110788446899024
Energy: 1.4250951230353903
Energy: 1.438430986999967
Energy: 1.4429162149412647
Energy: 1.4406559756244293
Energy: 1.8533274450307344
Energy: 1.4359871015198569
Energy: 1.4464801132283656
Energy: 1.3863661227058237
Energy: 1.4012478437997733
Energy: 1.4468646791315285
Energy: 1.510423779255053
Energy: 1.4360009422436821
Energy: 1.3972717978362827
Energy: 1.4785086121157114
Energy: 1.379231403116325
Energy: 1.6072428616543428
Energy: 1.7350131323987714
Energy: 1.658758420380025
Energy: 1.4384299893786805
Energy: 2.1099157282302503
Energy: 1.6187727965207879
Energy: 1.7713750682500584
Energy: 1.6852268656012308
Energy: 1.6715686506053287
Energy: 1.6114163239535275
Energy: 1.5090530032727472
Energy: 1.6028801227632692
Energy: 1.6690431863990547
Energy: 1.66435355619791
Energy: 1.5739382737747767
Energy: 1.6675865776329106
Energy: 1.502981318638667
Energy: 1.7858495105248353
Energy: 1.782207749593659
Energy: 1.4790160347986194
Energy: 1.9723753902769645
Energy: 1.667421106548901
Energy: 1.636626427231408
Energy: 1.6855163455826863
Energy: 1.6590421792238244
Energy: 1.7195018968107438
Energy: 1.6796805348171115
Energy: 1.8166668989720474
Energy: 1.5925557805078445
Energy: 1.5951874828882793
Energy: 1.6868125341295988
Energy: 1.5175345987236883
Energy: 1.6915543036230691
Energy: 1.7992771909387584
Energy: 1.4183957143578017
Energy: 1.3856432150994775
Energy: 1.447816347049008
Energy: 1.567365724370371
Energy: 1.4483300459571327
Energy: 1.4652809329795484
Energy: 1.370152285590358
Energy: 1.4669590783634405
Energy: 1.4596589464710377
Energy: 2.034688238066398
Energy: 1.4616287546379734
Energy: 1.4733485183137203
Energy: 1.4719289601270853
Energy: 1.4372347986523708
Energy: 1.4493326046933426
Energy: 1.6077748458174208
Energy: 1.4475451632627068
Energy: 1.4732566548778079
Energy: 1.7057533526636661
Energy: 1.4970518303868638
Energy: 1.4649970390461933
Energy: 1.5196662122130156
Energy: 1.5646557275769146
Energy: 1.6907842839120646
Energy: 2.4705485800164317
Energy: 1.5266370708405688
Energy: 1.5437022761737196
Energy: 1.4938069831544025
Energy: 1.5615059560976141
Energy: 1.6211457613836888
Energy: 1.7021708488236162
Energy: 1.497302427743816
Energy: 1.5604638993855078
Energy: 1.4009606676195203
Energy: 1.4763345615438912
Energy: 1.57383759365697
Energy: 1.522789212804123
Energy: 1.7346201980507796
Energy: 1.6535117579237881
Energy: 1.6185647433952464
Energy: 1.6225487482080654
Energy: 1.5795430119781715
Energy: 1.9097237299819114
Energy: 1.7079566682088838
Energy: 1.819952984819316
Energy: 1.930865809460817
Energy: 1.6491799616366405
Energy: 1.7434234574727194
Energy: 1.550764199187681
Energy: 1.8345145347501999
Energy: 1.8239549262726358
Energy: 1.4359581302159212
Energy: 1.850243739498906
Energy: 1.9358237845101083
Energy: 1.458128141079196
Energy: 1.5225424418205507
Energy: 1.748708805070554
Energy: 1.5476769553271204
Energy: 1.5238035690314549
Energy: 1.5276507967567
Energy: 1.4558190171835639
Energy: 1.6622058076766093
Energy: 1.5454136755817527
Energy: 2.269848118141968
Energy: 1.5399690229904885
Energy: 1.5376263531173269
Energy: 1.6337320537143387
Energy: 1.5532433945882762
Energy: 1.5245157741475672
Energy: 1.4445632362433276
Energy: 1.5240289502813573
Energy: 1.5818968209662398
Energy: 1.6834436980383316
Energy: 1.4363741753447683
Energy: 1.4227509696732121
Energy: 1.4345829545467592
Energy: 1.4292118489209353
Energy: 1.700965442505846
Energy: 2.1259221793257974
Energy: 1.4154423442637272
Energy: 1.3713333155966312
Energy: 1.3576731537051827
Energy: 1.3774377230245625
Energy: 1.494405025846182
Energy: 1.5998704020919652
Energy: 1.597811593603811
Energy: 1.376648536663156
Energy: 1.3776440127287684
Energy: 1.4031916947604284
Energy: 1.6271410829194937
Energy: 1.6819486431117905
Energy: 1.6856249089907729
Energy: 1.62002157190446
Energy: 1.8991528184476867
Energy: 1.5951676045688588
Energy: 1.6744651027083972
Energy: 1.6719787831510462
Energy: 1.610742608213524
Energy: 1.6408975081232235
Energy: 1.4899643613591997
Energy: 1.6103577475090167
Energy: 1.6312218071749163
Energy: 1.6402654861631463
Energy: 1.974303934849323
Energy: 1.8635589327732494
Energy: 1.4567801062318175
Energy: 1.9418206006888528
Energy: 1.9351182792347803
Energy: 1.678285292961708
Energy: 1.6198134990998645
Energy: 1.6005902717682665
Energy: 1.6704691911993812
Energy: 1.6028810900926687
Energy: 1.622819344518383
Energy: 1.6181179861400612
Energy: 1.7106770621287706
Energy: 1.6281979098773935
Energy: 2.053622548959326
Energy: 1.628456363634562
Energy: 1.7725778493299
Energy: 1.6797991247089228
Energy: 1.5345864833757876
Energy: 1.4066599782628884
Energy: 1.3702015371612857
Energy: 1.3561975486939226
Energy: 1.5344616190117872
Energy: 1.6291978547682626
Energy: 1.4220895616003424
Energy: 1.359455584620578
Energy: 1.3679707688708478
Energy: 1.4297469481433152
Energy: 1.5514623479915484

minimum gb energy = 1.3561975486939226 eV
minimum distance =  2.26939865923234 Angstroms
sigma value = 51


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

Energy: 2.652673337035129
Energy: 1.6261732063326593
Energy: 1.6555967524352921
Energy: 1.619195096561223
Energy: 1.705003761845273
Energy: 1.6756696376048235
Energy: 1.6353118447437136
Energy: 2.015258799225531
Energy: 1.59668399713971
Energy: 1.7870501690943315
Energy: 1.6208702195568316
Energy: 1.5594309609255426
Energy: 1.5161592426054467
Energy: 1.5592182268884154
Energy: 1.7274997725875358
Energy: 1.8072216547294593
Energy: 1.6877012890466443
Energy: 1.56400218077772
Energy: 1.494001077348961
Energy: 1.537532394126734
Energy: 1.6641270413531617
Energy: 2.182693189941446
Energy: 1.5884705850368928
Energy: 1.5330630358996404
Energy: 1.5114437418857876
Energy: 1.5235795480274352
Energy: 1.8221606313353138
Energy: 1.8580810767164424
Energy: 1.8059767784386118
Energy: 1.5367583008020889
Energy: 1.6126625718067897
Energy: 1.707520431495008
Energy: 1.802345810231251
Energy: 1.8284195996537713
Energy: 1.7981705638151162
Energy: 1.9892244589614665
Energy: 1.5524929679291064
Energy: 1.6933327001269318
Energy: 1.835881319259191
Energy: 1.7974353397577456
Energy: 1.6892719836584733
Energy: 1.9676903176602836
Energy: 1.5378149933076413
Energy: 1.7742647451922624
Energy: 1.8707622263023822
Energy: 1.8121120230493313
Energy: 1.8704703074002675
Energy: 1.530915920441698
Energy: 1.758744618043342
Energy: 1.6332277249187663
Energy: 1.684338537967322
Energy: 1.6280739943720397
Energy: 1.7892635474046474
Energy: 2.0862062780272477
Energy: 2.363510871857968
Energy: 1.6328858836310216
Energy: 1.7443119640044302
Energy: 1.7321977619616946
Energy: 1.6918463618171469
Energy: 1.6326209607214486
Energy: 1.287453556066284
Energy: 2.1143542642000424
Energy: 1.6750899243390294
Energy: 1.7968781723445533
Energy: 1.6742292260733918
Energy: 1.2878239450213067
Energy: 1.3002189236818376
Energy: 1.5316674262111625
Energy: 1.5315526704182434
Energy: 2.102381571872484
Energy: 1.6153661257713925
Energy: 1.3121084586318463
Energy: 1.6192045214569666
Energy: 1.5210037642722274
Energy: 1.5873059895289388
Energy: 1.9574810547708261
Energy: 1.561388996638387
Energy: 1.5508760602322103
Energy: 1.3558750234535601
Energy: 2.120526047628748
Energy: 1.7302889186782175
Energy: 1.8821227579383648
Energy: 1.8441359490775031
Energy: 1.6698581197604712
Energy: 2.019983583727778
Energy: 1.672800801894889
Energy: 1.7867703704071995
Energy: 1.913952120679269
Energy: 1.7209220538283305
Energy: 1.6654675910161487
Energy: 1.8117954895761785
Energy: 1.7177044190540918
Energy: 1.9175045101845998
Energy: 1.795092736678343
Energy: 1.8922609123299134
Energy: 1.980348587131377
Energy: 1.826613086990098
Energy: 1.8263483393086222
Energy: 1.782082551519818
Energy: 1.7605673064643221
Energy: 1.8396818948250093
Energy: 1.8021552206183522
Energy: 1.697733369837451
Energy: 1.5939627322889667
Energy: 1.629773568646515
Energy: 1.5897347047574815
Energy: 1.6240182555172133
Energy: 1.8830030093591144

minimum gb energy = 1.287453556066284 eV
minimum distance =  2.2644884626535 Angstroms
sigma value = 19


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

Energy: 2.207871641293629
Energy: 1.526229591464923
Energy: 1.5261063316175703
Energy: 1.5203402483188364
Energy: 1.551219705893544
Energy: 1.608298255876757
Energy: 1.7384946668091015
Energy: 1.8724181205955623
Energy: 1.510795234496612
Energy: 1.53019164465024
Energy: 1.5538781215428035
Energy: 1.6896758098824913
Energy: 1.7597707097027497
Energy: 1.6776710760529343
Energy: 1.8765172131577497
Energy: 1.7679090422068218
Energy: 1.678892369948465
Energy: 1.7262236728735894
Energy: 1.6417865742767206
Energy: 1.682036736825213
Energy: 1.6785354873222746
Energy: 1.9712418998118602
Energy: 1.7236287208165118
Energy: 1.6783154847837929
Energy: 1.7385564704286591
Energy: 1.6772709646983635
Energy: 1.6704637614651658
Energy: 1.776682962888285
Energy: 1.6967320239434118
Energy: 1.7668683346132703
Energy: 1.6295577706005782
Energy: 1.6834045785208578
Energy: 1.8689920691170534
Energy: 1.545964816011383
Energy: 1.6938172114278969
Energy: 1.758057317502961
Energy: 1.7089319039352593
Energy: 1.704682785242116
Energy: 1.9334385000756016
Energy: 2.2247458518704835
Energy: 1.765931959339644
Energy: 1.7277209742232713
Energy: 1.8257945250210774
Energy: 1.72202112094679
Energy: 1.8101809800608417
Energy: 1.5527868921920467
Energy: 2.0122756044790506
Energy: 1.7654952498748404
Energy: 1.696878296585945
Energy: 1.5179096489522461
Energy: 1.5056672931026789
Energy: 1.5061604056630078
Energy: 1.555583123047238
Energy: 1.812626612056642
Energy: 1.9878537427882432
Energy: 1.5576863494791826
Energy: 1.5537090912371254
Energy: 1.5064562025659303
Energy: 1.5612418380708644
Energy: 1.8285191922911104
Energy: 1.5988297382271748
Energy: 1.7373422915306247
Energy: 1.5519462987531771
Energy: 1.4646019877326244
Energy: 1.552085345385419
Energy: 1.804996906584693
Energy: 1.725115475118671
Energy: 1.7984790486199829
Energy: 1.8422905528799198
Energy: 1.6432730501390909
Energy: 1.7603445458440699
Energy: 1.7584714828868193
Energy: 1.7013409695430617
Energy: 1.7661275772306486
Energy: 1.9123495247374702
Energy: 1.7732281860232189
Energy: 1.7401425897401297
Energy: 1.9046374706502522
Energy: 1.668594504683739
Energy: 1.866470377295544
Energy: 1.924918303550502
Energy: 1.7025217114830862
Energy: 1.8942008311837757
Energy: 1.484188561188405
Energy: 1.4413080577876203
Energy: 1.4397066442379318
Energy: 1.875223472859265
Energy: 1.8881476146427703
Energy: 1.5175880940059603
Energy: 1.4412691885284505
Energy: 1.5328533868249594
Energy: 1.5543292421822081
Energy: 1.6328902792651059
Energy: 1.844760113427081
Energy: 1.560880634471372
Energy: 1.5482019266053322
Energy: 1.5549145559007278
Energy: 1.5538863827112679
Energy: 1.6884252649103397
Energy: 1.6591530670977832
Energy: 1.8746342135256198
Energy: 1.553638934851871
Energy: 1.8006233100675473
Energy: 1.6789799011451965
Energy: 1.7084256192378362
Energy: 1.7747682097769568
Energy: 1.7661527572558577
Energy: 1.8752809509788548
Energy: 1.6720260303200407
Energy: 1.6787416983845638
Energy: 1.6610581060135707
Energy: 1.6070209586268316
Energy: 1.7800905039268233
Energy: 1.8641613469023552
Energy: 1.5254159819833635
Energy: 1.6690179688801883
Energy: 1.828860379149551
Energy: 1.7029188434277442
Energy: 1.9570323639781377
Energy: 1.6738256334866939
Energy: 1.5711495223370093
Energy: 1.738824837623877
Energy: 1.698530660991624
Energy: 1.6270825478630546
Energy: 1.6826945240520885
Energy: 1.8049904416428422
Energy: 2.218672720823286
Energy: 1.8111477594089926
Energy: 1.7309676316169809
Energy: 1.788016137281706
Energy: 1.7416296073880468
Energy: 1.9287857616603648
Energy: 1.6030004222216687
Energy: 1.8102433643609688
Energy: 1.6884690263783713
Energy: 1.694796668145621
Energy: 1.6887839696648375
Energy: 1.564564276128051
Energy: 1.5372893346937029
Energy: 1.5620569341912607
Energy: 1.7900779225918002
Energy: 1.9064843746589586
Energy: 1.5560516089247278
Energy: 1.565821923427698
Energy: 1.442142024248096
Energy: 1.5708310933588419
Energy: 1.5204245556360543
Energy: 1.650816399682365
Energy: 1.5192746488666344
Energy: 1.4893284290092508
Energy: 1.6195544891056715
Energy: 1.9010857128407368
Energy: 1.7670037727401775
Energy: 1.7620704184450324
Energy: 1.6874428528635432
Energy: 1.7385443372502212
Energy: 1.982430707815618
Energy: 1.837332989448477
Energy: 1.7691067060040813
Energy: 1.7192734592411596
Energy: 1.7365986976130194
Energy: 1.8380436297360185
Energy: 1.7077268554389933
Energy: 1.7427548789885134
Energy: 1.8133771689049127
Energy: 1.748532964806189
Energy: 1.7519127779241253
Energy: 1.9366146753324682
Energy: 1.5552862351190373
Energy: 1.8737300060213187
Energy: 1.5669633676610673
Energy: 1.484437439684598
Energy: 1.866302170243481
Energy: 1.8792647641350333
Energy: 2.1672337348203827
Energy: 1.5555304290188645
Energy: 1.5116159452229265
Energy: 1.4996827296676145
Energy: 1.5569116990951148
Energy: 1.6325582198245796

minimum gb energy = 1.4397066442379318 eV
minimum distance =  2.24102237021106 Angstroms
sigma value = 27


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

Energy: 1.7975898000324804
Energy: 1.6776295758457862
Energy: 1.5922968234839192
Energy: 1.6024882369837015
Energy: 1.5923299994072622
Energy: 1.8750252376166663
Energy: 1.3448060957684458
Energy: 1.5520223873443306
Energy: 1.6084281320387124
Energy: 1.348009344758838
Energy: 1.5534044480350593
Energy: 1.5597474038712702
Energy: 1.3220278338213858
Energy: 1.55306956342304
Energy: 1.5256195258677951
Energy: 1.3246215501108296
Energy: 1.5252405440367596
Energy: 1.6042249529490993
Energy: 1.477704332399362
Energy: 1.5348562164212671
Energy: 1.5253033837039223
Energy: 1.553027762422282
Energy: 1.535096585322056
Energy: 1.5543905649894398
Energy: 1.3506632500810654
Energy: 1.5284818807173317
Energy: 1.6497215951577913
Energy: 1.301878347792995
Energy: 1.6509173377183939
Energy: 1.6039811905878143
Energy: 1.5604443811921545
Energy: 1.6287076807477527
Energy: 1.7258358181899014
Energy: 1.6100977639649101
Energy: 1.725218558489808
Energy: 1.6244839023535549
Energy: 1.352239053941128
Energy: 1.5927250811567053
Energy: 1.8801615719848384
Energy: 1.8072706713468671
Energy: 1.5404540746218538
Energy: 1.602383398224187
Energy: 1.3466872758904807
Energy: 1.6080370757519091
Energy: 1.5519835286769736
Energy: 1.3409767441479066
Energy: 1.5522634358530008
Energy: 1.3224921446307563
Energy: 1.321046036680546
Energy: 1.5252490987686176
Energy: 1.5528816749264103
Energy: 1.324508207707911
Energy: 1.524396637565794
Energy: 1.52601845535041
Energy: 1.4594999064703422
Energy: 1.563268046414932
Energy: 1.554456176750307
Energy: 1.6228559128468802
Energy: 1.5348943511197575
Energy: 1.5252362213398596
Energy: 1.3007027445046841
Energy: 1.649169069488785
Energy: 1.550650033984554
Energy: 1.3509396733865342
Energy: 1.5282223946262439
Energy: 1.8284300786044858
Energy: 1.6588217802763527
Energy: 1.7246696004377542
Energy: 1.6288369060722574
Energy: 1.566281201989346
Energy: 1.612420412487617
Energy: 1.7974986712432843

minimum gb energy = 1.3007027445046841 eV
minimum distance =  2.25611047386351 Angstroms
sigma value = 9


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

Energy: 2.578664085788056
Energy: 1.505301841005802
Energy: 1.501550629645736
Energy: 1.4743013602069275
Energy: 1.5024019548801735
Energy: 1.8976421924126712
Energy: 1.6704168360016272
Energy: 1.8898488731612393
Energy: 1.4735574592624967
Energy: 1.470916007285905
Energy: 1.4505611242655698
Energy: 1.943260690759264
Energy: 1.685039430166585
Energy: 1.8313247665862176
Energy: 1.8514487527875714
Energy: 1.4722221577996044
Energy: 1.8692608174792544
Energy: 1.7868164911481021
Energy: 1.7042849652055727
Energy: 1.8269731894094252
Energy: 1.8282312664935743
Energy: 1.9513347907865324
Energy: 1.8087989404448412
Energy: 1.8347941518324669
Energy: 1.7118827333417066
Energy: 1.8340217684594282
Energy: 1.8319086043229893
Energy: 1.6604005224037963
Energy: 1.821629435861891
Energy: 1.8388574591919926
Energy: 1.4582888989632248
Energy: 1.449169538281265
Energy: 1.9072212724776585
Energy: 1.6634669093113492
Energy: 1.7938677322725813
Energy: 1.458975189328631
Energy: 1.4846675130955465
Energy: 1.5077276302813247
Energy: 1.7454091241918783
Energy: 2.3622536220607677
Energy: 1.5046563943182365
Energy: 1.5019587406029369
Energy: 1.3439917641840964
Energy: 1.4492152233175544
Energy: 1.9062266851018326
Energy: 1.6634626107025843
Energy: 1.7918765205292995
Energy: 1.3458239113818309
Energy: 1.6355056039690639
Energy: 1.7966487796741828
Energy: 1.9063060665970908
Energy: 1.6605384891194297
Energy: 1.769165987203946
Energy: 1.7141460636441193
Energy: 1.667944105343357
Energy: 1.759009833502822
Energy: 1.859325527254295
Energy: 2.114363048602561
Energy: 1.7818808941890047
Energy: 1.7699142194503183
Energy: 1.5255312667765302
Energy: 1.7722008020930144
Energy: 1.8199590898637592
Energy: 1.6233741740789056
Energy: 1.890313759969309
Energy: 1.6415931910947035
Energy: 1.483027731667541
Energy: 1.829734425080771
Energy: 1.6606112999259546
Energy: 1.5464239597807954
Energy: 1.6454485032472297
Energy: 1.8031548728308413
Energy: 1.8333435599046937
Energy: 1.6492855082273719
Energy: 1.64173665443344
Energy: 1.5706472693938627
Energy: 1.6340762077283038
Energy: 1.9663519343155285
Energy: 1.7828053785924498
Energy: 1.797837572749295
Energy: 1.543988412646175
Energy: 1.4458225344262692
Energy: 1.658295191426616
Energy: 1.9053628190261698
Energy: 1.4937150985067364
Energy: 1.9199726365170502
Energy: 1.6149523689940464
Energy: 1.4486769201730405
Energy: 1.6116254934776828
Energy: 2.0602059434482527
Energy: 2.136547993488574
Energy: 1.750686721084681
Energy: 1.6120686205012285
Energy: 1.4767717692863391
Energy: 1.6489968988115764
Energy: 1.8629466267326478
Energy: 1.4962387177885141
Energy: 1.721564306284438
Energy: 1.670246621864292
Energy: 1.5566217294605658
Energy: 1.6586632382518405
Energy: 1.906401336419499
Energy: 1.4750951168268678
Energy: 1.785171272578643
Energy: 1.73464803158804
Energy: 1.5797786306927835
Energy: 1.9293286412304411
Energy: 1.488560224914918
Energy: 1.5466623060049987
Energy: 1.7394361112041905
Energy: 1.8794844790579526
Energy: 1.929378716972082
Energy: 1.812106078494479
Energy: 1.767053325326454
Energy: 1.609986052142245
Energy: 1.7537743918580146
Energy: 1.7922138074027572
Energy: 1.5645707604563106
Energy: 1.7681966611844722
Energy: 1.6661907820769049
Energy: 1.361569520162999
Energy: 1.3541102337372863
Energy: 1.856301958827251
Energy: 1.5334242421674273
Energy: 1.8196688477558867
Energy: 1.3533911901256601
Energy: 1.4794518862493746
Energy: 1.4653661816435604
Energy: 1.5819910908367871
Energy: 1.8127659243994494
Energy: 1.5471277841333273
Energy: 1.50433386998841
Energy: 1.4535521912488507
Energy: 1.5182717995058956
Energy: 1.6733591326478932
Energy: 1.8820610753890894
Energy: 1.5116083011545072
Energy: 1.5054124205518304
Energy: 1.4941250392701886
Energy: 1.6462715684284859
Energy: 1.820870506337541
Energy: 1.5468318360043938
Energy: 1.8471781002510608
Energy: 1.6459804102796967
Energy: 1.93205144641686
Energy: 1.8317794371990577
Energy: 1.8341960876512002
Energy: 1.5937711710078162
Energy: 1.8496068433850046
Energy: 1.9199939859644048
Energy: 1.686208706070067
Energy: 1.8252661545308935
Energy: 1.8770893089321539
Energy: 1.7042154717439038
Energy: 1.821729208457683
Energy: 1.8470915675498063
Energy: 1.667071379748011
Energy: 1.8795783481243364
Energy: 1.4515023771489437
Energy: 1.479078075243956
Energy: 1.451406476555719
Energy: 1.7313233142729263
Energy: 1.8326223200781868
Energy: 1.5441300429570117
Energy: 1.5195773884125194
Energy: 1.5072187979885143
Energy: 1.5168390361582218
Energy: 1.7445361609770207
Energy: 1.4784219321856789
Energy: 1.5116452404671976
Energy: 1.4222629864776513
Energy: 1.4047712880741452
Energy: 1.505735337502665
Energy: 1.9495174203853434
Energy: 1.65411232810378
Energy: 1.8901147036059034
Energy: 1.346738501265194
Energy: 1.35416378935201
Energy: 1.7540398177691605
Energy: 1.9949786710698472
Energy: 1.9615917723508134
Energy: 1.7906094578779528
Energy: 1.7493454416806997
Energy: 1.6143276010524747
Energy: 1.762697425032457
Energy: 1.8134155688320013
Energy: 2.143293423419326
Energy: 1.8030048255690683
Energy: 1.760746346996905
Energy: 1.530406701566903
Energy: 1.7572064989388305
Energy: 1.9010920552183586
Energy: 1.5425961798051326
Energy: 1.636955933631461
Energy: 1.7973217793885832
Energy: 1.4692921947970994
Energy: 1.8081231589417326
Energy: 1.6676950027047495
Energy: 1.548977533566971
Energy: 1.6499566326943893
Energy: 1.7472138304148501
Energy: 2.0747871104030997
Energy: 1.656639531365637
Energy: 1.6477590742391626
Energy: 1.441795250172585
Energy: 1.5319327715390465
Energy: 1.646166872689131
Energy: 1.7060325228472142
Energy: 1.67470838419474
Energy: 1.5399094106778521
Energy: 1.4755559805016512
Energy: 1.686693703546406
Energy: 1.9982350420228332
Energy: 1.4687966212104206
Energy: 1.7770888398302465
Energy: 1.629863080603211
Energy: 1.4426637761880288
Energy: 1.6168318710359957
Energy: 1.856776203241811
Energy: 1.4946033341952378
Energy: 1.6879558839060234
Energy: 1.4596997485962264
Energy: 1.6421850354821648
Energy: 1.6438960617569935
Energy: 1.8773414910741968
Energy: 2.142378270102819
Energy: 1.6621985878294703
Energy: 1.6507149913091737
Energy: 1.5564843230861318
Energy: 1.7596196255582401
Energy: 1.9427659793294676
Energy: 1.4844428445552251
Energy: 1.8584068726692295
Energy: 1.526244137572188
Energy: 1.921237235870659
Energy: 1.8907256148546643
Energy: 1.7492960040578356
Energy: 1.5342127340036893
Energy: 1.825049501007862
Energy: 1.847499393297943
Energy: 1.8011049940382091
Energy: 1.8497321705052538
Energy: 1.7439175327080634
Energy: 1.613173646449412
Energy: 1.7465888761182395
Energy: 1.8500215608173602
Energy: 1.5408489411961783
Energy: 1.8453679859525982
Energy: 1.6745609481969361
Energy: 1.4626700980448648
Energy: 1.784153080956686
Energy: 1.975266289783099
Energy: 2.0845522107486887
Energy: 1.635377390050239
Energy: 1.345104946830254
Energy: 1.342420863241922
Energy: 1.51113441763105
Energy: 1.8747796783039254

minimum gb energy = 1.342420863241922 eV
minimum distance =  2.23581375217336 Angstroms
sigma value = 57


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

Energy: 2.6499469762373695
Energy: 1.5966382845778775
Energy: 1.5727826797339148
Energy: 1.5353679979599406
Energy: 1.5734267638788626
Energy: 1.6054574557051404
Energy: 2.034023743991528
Energy: 1.6207339103066651
Energy: 1.7298287111042894
Energy: 1.6474596413994613
Energy: 1.7301958263399095
Energy: 1.9312472905825786
Energy: 1.9659586544912226
Energy: 1.8756615618195003
Energy: 1.7627203995525493
Energy: 1.6588014350615812
Energy: 1.7761281903844053
Energy: 1.7489813238306955
Energy: 1.6593374995264
Energy: 1.5658082748022346
Energy: 1.7785043872086934
Energy: 1.8759737094781122
Energy: 1.8016416783600713
Energy: 1.5716381049485286
Energy: 1.7314569979598393
Energy: 1.5602951663327604
Energy: 1.856435285154745
Energy: 1.6580077991465345
Energy: 1.8037322465577514
Energy: 1.478022208142358
Energy: 1.5944821258559607
Energy: 1.4764641906923552
Energy: 1.6329092104607512
Energy: 1.6205180020395686
Energy: 1.6729904399476907
Energy: 1.4764918667762492
Energy: 1.6075565894816772
Energy: 1.5036237874119147
Energy: 1.5221973669211513
Energy: 2.1540770389638104
Energy: 1.5240664130917445
Energy: 1.5035060749898514
Energy: 1.5020336602620294
Energy: 1.4878061229808266
Energy: 1.611580209174272
Energy: 1.6889688495698458
Energy: 1.6066702120166254
Energy: 1.4871895512040012
Energy: 1.5347579862541918
Energy: 1.5227140628111215
Energy: 1.8698913013552376
Energy: 1.8126990304983268
Energy: 1.870402595000389
Energy: 1.5382909467687518
Energy: 1.5698704322276629
Energy: 1.460868818895472
Energy: 1.783897375044307
Energy: 1.9461960512927763
Energy: 1.8474116219175611
Energy: 1.4536894617749692
Energy: 1.635359778107627
Energy: 1.8685443746574295
Energy: 1.7817473100417989
Energy: 1.7425032334071455
Energy: 1.8851429478553805
Energy: 1.7167046673995756
Energy: 1.7324631975246225
Energy: 1.779467319240908
Energy: 1.9485573980279156
Energy: 1.8125419730162118
Energy: 1.9599516942925566
Energy: 1.9161511422847952
Energy: 2.1256176593485474
Energy: 1.8289664173055253
Energy: 1.8226846561575667
Energy: 1.4834571298558876
Energy: 1.8601628486292416
Energy: 1.828192784570143
Energy: 1.9016853152106135
Energy: 1.754121388639989
Energy: 1.55978575154858
Energy: 1.664317419056992
Energy: 1.7353422318721548
Energy: 1.7460126571646553
Energy: 1.912818366098996
Energy: 1.7250167782239763
Energy: 1.5615320048637729
Energy: 1.3038504832173554
Energy: 1.5645848591664584
Energy: 1.817131360612717
Energy: 2.1216316458389226
Energy: 1.5936453769278356
Energy: 1.5600813606181068
Energy: 1.4111366431474117
Energy: 1.5510125299592206
Energy: 1.8456950144102517
Energy: 1.9191702080701984
Energy: 1.5443565858506003
Energy: 1.460057838786482
Energy: 1.3899417125265159
Energy: 1.4604201182838512
Energy: 1.5446406843263447
Energy: 2.017212116613195
Energy: 1.795301208702167
Energy: 1.4587463006249455
Energy: 1.3545310123284358
Energy: 1.3033118483055162
Energy: 1.9040980190069805
Energy: 2.3065806234031867
Energy: 1.6727452645553815
Energy: 1.4548644286082426
Energy: 1.446148194090691
Energy: 1.6219005109071267
Energy: 1.8460553183306114

minimum gb energy = 1.3033118483055162 eV
minimum distance =  2.22130286326136 Angstroms
sigma value = 11


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

Energy: 1.934940515048272
Energy: 1.4914420753649706
Energy: 1.3775637294649312
Energy: 1.3306127542100463
Energy: 1.47015365021323
Energy: 1.6842436288606786
Energy: 2.1012900747217547
Energy: 1.709394429481827
Energy: 1.4268341431716125
Energy: 1.3520346197101671
Energy: 1.496149304964018
Energy: 1.6614830161076315
Energy: 1.8210009001214142
Energy: 1.6695267853830293
Energy: 1.577254175440102
Energy: 1.354799002812053
Energy: 1.6211552846648873
Energy: 1.7645048800217742
Energy: 1.9117576218151116
Energy: 1.6641369490666629
Energy: 1.588475755888202
Energy: 1.5929148006327183
Energy: 1.6793271379249683
Energy: 1.6909350354355674
Energy: 1.5700735573423161
Energy: 1.6575599079429082
Energy: 1.656962247935224
Energy: 1.6655086250461832
Energy: 1.7220612064066794
Energy: 1.7749511748581026
Energy: 1.5706062815945863
Energy: 1.7043093361710724
Energy: 1.784079405103563
Energy: 1.721870426664008
Energy: 1.7416051967569088
Energy: 1.7071467949155454
Energy: 1.4915802378598242
Energy: 1.646207107991386
Energy: 1.6850599987685029
Energy: 1.5992531749211614
Energy: 1.6359015007379727
Energy: 1.570191960977295
Energy: 1.2600878527171535
Energy: 1.5289953550924726
Energy: 1.623226576611691
Energy: 1.808621441703311
Energy: 1.6245911895273633
Energy: 1.5030877467153705
Energy: 1.3680646864026862
Energy: 1.4259195986333695
Energy: 1.5766756284988424
Energy: 1.831207140916433
Energy: 1.4545323395636003
Energy: 1.4532279537266537
Energy: 1.3317458063578533
Energy: 1.453569683906103
Energy: 1.3822574136264336
Energy: 2.0264928941071796
Energy: 1.4324834632346286
Energy: 1.4099894942935622
Energy: 1.2839125040179844
Energy: 1.3583122434294805
Energy: 1.3884219020062702
Energy: 1.997664655359703
Energy: 1.388567670133626
Energy: 1.3073587235184418
Energy: 1.1547700892480894
Energy: 1.3103672511757096
Energy: 1.6841608747418328
Energy: 1.8279332151627357
Energy: 1.5204403697818116
Energy: 1.1563123085220628
Energy: 1.1955819733025879
Energy: 1.3063688831309819
Energy: 1.6018113261687148
Energy: 1.8819271217916376
Energy: 1.3876947710135983
Energy: 1.1983465854649606
Energy: 1.3945425074079445
Energy: 1.470832256461002
Energy: 1.6886074040530241
Energy: 1.9041881981126423
Energy: 1.525453574736134
Energy: 1.3808520987815118
Energy: 1.353257933122569
Energy: 1.427381056702047
Energy: 1.6619362297968538
Energy: 1.8321933914034896
Energy: 1.6869765257917197
Energy: 1.4234273274019753
Energy: 1.5846798606581378
Energy: 1.66210099492686
Energy: 1.7579985486757386
Energy: 1.7485058486818117
Energy: 1.601327812528159
Energy: 1.6181350132933523
Energy: 1.6651199447491714
Energy: 1.5889373078186078
Energy: 1.695873495900417
Energy: 1.9046636496441887
Energy: 1.6984643233699335
Energy: 1.6144731876077676
Energy: 1.8289805293179127
Energy: 1.80063294476496
Energy: 1.7317953408754645
Energy: 1.5703948158502046
Energy: 1.7716331308085005
Energy: 1.7645014210066996
Energy: 1.889808472036626
Energy: 1.785665537694269
Energy: 1.6622390250107608
Energy: 1.6200269365214868
Energy: 1.7081309987699782
Energy: 1.7415152137692027
Energy: 1.5828365878524582
Energy: 1.68218501067061
Energy: 1.4165313236346608
Energy: 1.561605958290681
Energy: 1.6482609296336415
Energy: 1.643646790238149
Energy: 1.8402850953222978
Energy: 1.6230098979278749
Energy: 1.5427867241139188
Energy: 1.2637195092444558
Energy: 1.6010991689616192
Energy: 1.6284696295450427
Energy: 2.0856346573192317
Energy: 1.4513024445802676
Energy: 1.4504966560746138
Energy: 1.3710028324486143
Energy: 1.4309728926594398
Energy: 1.4328672739109238
Energy: 2.0276930282208174
Energy: 1.524997848898446
Energy: 1.3801693765591487
Energy: 1.3856333161111407
Energy: 1.4361672430245198
Energy: 1.705882611536083
Energy: 2.0611594203054318
Energy: 1.3889094196913485
Energy: 1.3922453007203734
Energy: 1.1965931242028949
Energy: 1.354783801222397
Energy: 1.46957184836772
Energy: 2.0789690675808195
Energy: 1.625439672785756
Energy: 1.155390268098536
Energy: 1.199498027965368
Energy: 1.3082982746994063
Energy: 1.704216372138186
Energy: 2.137472665853935
Energy: 1.3876552076629325
Energy: 1.2559544900969815
Energy: 1.1982216057117216
Energy: 1.3828992197961794
Energy: 1.7178673414695083

minimum gb energy = 1.1547700892480894 eV
minimum distance =  2.2529914721965 Angstroms
sigma value = 41


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

Energy: 2.222049444603512
Energy: 1.2867126333425307
Energy: 1.2882245245553061
Energy: 1.2763785403228887
Energy: 1.2885213632022205
Energy: 1.5986872124540907
Energy: 2.224162114457656
Energy: 1.3873930044167722
Energy: 1.2890949172367134
Energy: 1.2302381009253514
Energy: 1.2904652595753383
Energy: 1.5277011880269111
Energy: 2.0291872112612155
Energy: 1.464136889251117
Energy: 1.422434595304887
Energy: 1.402381719431098
Energy: 1.4664014466824864
Energy: 1.5370924301763318
Energy: 1.8031898999841423
Energy: 1.4803766797951394
Energy: 1.440903964136336
Energy: 1.4031116620124646
Energy: 1.4522751090992696
Energy: 1.5479901076189755
Energy: 1.803487040727309
Energy: 1.516696616826986
Energy: 1.620092311768035
Energy: 1.5385634259733116
Energy: 1.5564111222680914
Energy: 1.5846101070579464
Energy: 1.806074187152588
Energy: 1.598851114729079
Energy: 1.5749730788616216
Energy: 1.5607956123876288
Energy: 1.5451272783695824
Energy: 1.6030305277886394
Energy: 1.8079570889286996
Energy: 1.507323365431227
Energy: 1.5150513420223628
Energy: 1.6131341895734967
Energy: 1.5439922909400048
Energy: 1.5729901970694529
Energy: 1.6509903467327813
Energy: 1.559994136674949
Energy: 1.505278112486437
Energy: 1.5736776523549747
Energy: 1.5060313540395496
Energy: 1.5443398855364374
Energy: 1.6225251109749206
Energy: 1.541417931686785
Energy: 1.5957078024966969
Energy: 1.5158724977370275
Energy: 1.5623381802295948
Energy: 1.550799233925829
Energy: 1.3966033906575837
Energy: 1.4922691835477608
Energy: 1.4777843458763393
Energy: 1.7448690679806418
Energy: 1.4872494825700813
Energy: 1.4984816926921953
Energy: 1.3999097219641738
Energy: 1.4773367119435854
Energy: 1.4845073857475357
Energy: 1.5184099215883753
Energy: 1.479509933606904
Energy: 1.380004142394828
Energy: 1.2294258081038132
Energy: 1.3165339248015882
Energy: 1.4543138630424093
Energy: 1.5174063301830896
Energy: 1.5017099351969994
Energy: 1.3100163878493833
Energy: 1.2284608756230189
Energy: 1.2912591072061559
Energy: 1.3877147131471748
Energy: 1.6195650920900282
Energy: 1.3983408376073478
Energy: 1.2897095775993712
Energy: 1.1961437987180357
Energy: 1.285518421535338
Energy: 1.3640699263407243
Energy: 1.592248158158699
Energy: 1.343087346980407
Energy: 1.2863702244973494
Energy: 1.1059441731780564
Energy: 1.3271797213856102
Energy: 1.3274290325961733
Energy: 1.4964074521651416
Energy: 1.357050660738929
Energy: 1.1992887190355486
Energy: 1.1062816091981307
Energy: 1.1501005304621406
Energy: 1.4780951231306845
Energy: 1.4987151968453818
Energy: 1.4830481467727252
Energy: 1.1057097657619241
Energy: 1.195738286721419
Energy: 1.2990943986589212
Energy: 1.447080855655018
Energy: 1.7966996599043092
Energy: 1.3428523482201429
Energy: 1.1358221297132425
Energy: 1.270538741930007
Energy: 1.2897321338036727
Energy: 1.3089252539047058
Energy: 1.5417696336292934
Energy: 1.402640445596654
Energy: 1.2894874060462753
Energy: 1.2294339811005128
Energy: 1.3100425297392606
Energy: 1.5139456649326781
Energy: 1.5232720422345607
Energy: 1.4864321549609645
Energy: 1.290411912762316
Energy: 1.3971489479994856
Energy: 1.4552609086062522
Energy: 1.4824241519489851
Energy: 1.553270105064225
Energy: 1.504435246285823
Energy: 1.4197631396982973
Energy: 1.5746188459707908
Energy: 1.5906192507158674
Energy: 1.5263545395161136
Energy: 1.5981453885510635
Energy: 1.4981927785136155
Energy: 1.5058785203331673
Energy: 1.6035448932273606
Energy: 1.5945080286595135
Energy: 1.6462131683066916
Energy: 1.513155941338497
Energy: 1.5531014205042595
Energy: 1.6298479893847937
Energy: 1.6045490349940805
Energy: 1.5696258219125279
Energy: 1.5749277984627568
Energy: 1.6116243983535203
Energy: 1.5461829953670492
Energy: 1.5441750934577532
Energy: 1.6072628946024716
Energy: 1.5060737697767612
Energy: 1.539347377454848
Energy: 1.6410439455885633
Energy: 1.5156103760207627
Energy: 1.5071573745495597
Energy: 1.8283315443728176
Energy: 1.557038746222652
Energy: 1.5680307836496754
Energy: 1.5096737237137494
Energy: 1.5500721216565048
Energy: 1.5545205124059052
Energy: 1.596419379205478
Energy: 1.5943888200068157
Energy: 1.5283714193249982
Energy: 1.5693829236570904
Energy: 1.5732279298029637
Energy: 1.5917941027993998
Energy: 1.7452039445195309
Energy: 1.486778554891553
Energy: 1.3908835301453404
Energy: 1.4043046167877506
Energy: 1.4272334971605622
Energy: 1.4891640350341253
Energy: 2.072525615014368
Energy: 1.4540843407352446
Energy: 1.3860735913540974
Energy: 1.357016160198899
Energy: 1.43086937350607
Energy: 1.5182659389069402
Energy: 2.002275393394964
Energy: 1.3083088857288845
Energy: 1.2919176292585677
Energy: 1.243670040163475
Energy: 1.2905860125449287
Energy: 1.40072074439818
Energy: 2.024104615727195
Energy: 1.3400496045423254
Energy: 1.287226480848335
Energy: 1.2867590478068536
Energy: 1.2859142546574232
Energy: 1.5471795423059966
Energy: 2.280219323568958
Energy: 1.3567988740890886
Energy: 1.3225982219455563
Energy: 1.1049423908230718
Energy: 1.3226812847891123
Energy: 1.387632207441816
Energy: 2.2660840728655147
Energy: 1.5031088393532255
Energy: 1.0706491738743367
Energy: 1.102683742420579
Energy: 1.1919025372092453
Energy: 1.5121295843097236
Energy: 1.7959924620276078
Energy: 1.284491748548308
Energy: 1.186846600979937
Energy: 1.1037382599515941
Energy: 1.1043862747082662
Energy: 1.5413455646777114

minimum gb energy = 1.0706491738743367 eV
minimum distance =  2.24605974579181 Angstroms
sigma value = 33


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

Energy: 2.1177591685211317
Energy: 1.1997190414028194
Energy: 1.1998522954256778
Energy: 1.1657004602757883
Energy: 1.2001326263139236
Energy: 1.4204481421793005
Energy: 2.438244842724163
Energy: 1.1868111487462125
Energy: 1.1613308909693547
Energy: 1.0709438004165763
Energy: 1.16509444429578
Energy: 1.306027917770325
Energy: 2.2082687547782083
Energy: 1.2678410312058561
Energy: 1.2044098631574074
Energy: 1.1712890014113664
Energy: 1.2970408142595788
Energy: 1.2746908140113016
Energy: 1.7589496719722295
Energy: 1.244848244593071
Energy: 1.204529716344583
Energy: 1.177379152621339
Energy: 1.1796320803519027
Energy: 1.356481054216462
Energy: 1.7569557526884023
Energy: 1.3361111845949523
Energy: 1.339672835438887
Energy: 1.300197808589601
Energy: 1.310152272213785
Energy: 1.333528655392988
Energy: 2.1223412354781206
Energy: 1.3529540120013632
Energy: 1.3037638728624115
Energy: 1.3258397098716426
Energy: 1.3461607425719093
Energy: 1.3004583564506036
Energy: 2.079343212560744
Energy: 1.3181648372448458
Energy: 1.3088694999898836
Energy: 1.5152008346114043
Energy: 1.2973031221948659
Energy: 1.3353204546869266
Energy: 1.7066605075330363
Energy: 1.416994824463313
Energy: 1.3698515759236984
Energy: 1.3697813011608106
Energy: 1.4260506181884283
Energy: 1.3414233362934427
Energy: 1.9611572377318183
Energy: 1.3759504237705853
Energy: 1.397358532132251
Energy: 1.3816855352002848
Energy: 1.338481526267742
Energy: 1.3519863811133996
Energy: 1.9161117103512435
Energy: 1.388602553366733
Energy: 1.346778488416202
Energy: 1.3582005303030569
Energy: 1.3477377235379278
Energy: 1.337498617884482
Energy: 1.6796244390768382
Energy: 1.3352471117876346
Energy: 1.3616493400937766
Energy: 1.359884687754381
Energy: 1.3281427707529454
Energy: 1.3354017920211796
Energy: 1.4716592817213596
Energy: 1.332841037650619
Energy: 1.368437504718083
Energy: 1.36065053734872
Energy: 1.368075200103506
Energy: 1.3332969779087913
Energy: 1.6442632832355513
Energy: 1.3823250295517433
Energy: 1.3545665557250794
Energy: 1.365171595958956
Energy: 1.3260853998644209
Energy: 1.3912363939801053
Energy: 1.6098686113679739
Energy: 1.3906262823889701
Energy: 1.3072672577003694
Energy: 1.3602373706695625
Energy: 1.3022624953417659
Energy: 1.3714640587219475
Energy: 1.3404574195103667
Energy: 1.3256135685614039
Energy: 1.3180051875095442
Energy: 1.3723507288619408
Energy: 1.3007506566551923
Energy: 1.3206201929829762
Energy: 1.334830835507593
Energy: 1.3092210932387713
Energy: 1.3593832849011487
Energy: 1.2857563156510876
Energy: 1.3587623075200197
Energy: 1.348195570012418
Energy: 1.3527479021354072
Energy: 1.3546931590566054
Energy: 1.3350225240377611
Energy: 1.3771790811738405
Energy: 1.1513319659802796
Energy: 1.3378895200358787
Energy: 1.1686318925166017
Energy: 1.2331658942386028
Energy: 1.2748751905578026
Energy: 1.3720152837858743
Energy: 1.274298760859959
Energy: 1.1449986804202221
Energy: 1.0638728131782884
Energy: 1.1756263486966916
Energy: 1.2749589952423135
Energy: 1.3382383750104805
Energy: 1.267335615919644
Energy: 1.1773668572870608
Energy: 1.0944500411559952
Energy: 1.1687776375818708
Energy: 1.1935094904657653
Energy: 1.352843908336886
Energy: 1.1839062558294267
Energy: 1.1634973249260245
Energy: 1.1119496413060426
Energy: 1.0330126922281249
Energy: 1.1535306047999858
Energy: 1.3725035929373133
Energy: 1.0309047868910803
Energy: 1.0453435823798545
Energy: 1.032629088131856
Energy: 1.1334908460900126
Energy: 1.1790283414801705
Energy: 1.2807324208931303
Energy: 1.1607462185843742
Energy: 1.0323724335598932
Energy: 0.9635189368642736
Energy: 1.1597539200367557
Energy: 1.2916374244957647
Energy: 1.2795325310287609
Energy: 1.1602616313745995
Energy: 0.97396799212701
Energy: 1.1829162887498654
Energy: 1.199282765138784
Energy: 1.3213216738500402
Energy: 1.3606394321300823
Energy: 1.12432812801878
Energy: 1.199507430072621
Energy: 1.092390110739044
Energy: 1.1669300412202577
Energy: 1.1864827192822947
Energy: 1.3915076700529034
Energy: 1.1864567911978599
Energy: 1.0992210140249565
Energy: 1.104707636638575
Energy: 1.1635667203631204
Energy: 1.2759477482864112
Energy: 1.3504421615354862
Energy: 1.2704824537505963
Energy: 1.0891012276428
Energy: 1.1702332679808822
Energy: 1.2530181806929284
Energy: 1.2660545046343086
Energy: 1.366646354194213
Energy: 1.2655266127820752
Energy: 1.1775037741722565
Energy: 1.3456212255641478
Energy: 1.353756693663475
Energy: 1.3034736892897405
Energy: 1.3683366311350174
Energy: 1.315442195286517
Energy: 1.3517868250016463
Energy: 1.326244143426034
Energy: 1.314323504184755
Energy: 1.3358867303053163
Energy: 1.3754269519763835
Energy: 1.30977260538447
Energy: 1.3411050799126585
Energy: 1.5412918939429416
Energy: 1.3045588112880528
Energy: 1.318025425314083
Energy: 1.3732711702895424
Energy: 1.3187681495717989
Energy: 1.3180441275667283
Energy: 1.5969394656964895
Energy: 1.4356357161952453
Energy: 1.594540117016381
Energy: 1.7292713613634785
Energy: 1.4194300073852886
Energy: 1.3694877767905864
Energy: 1.6269493534540993
Energy: 1.3589858722111234
Energy: 1.3745421804190103
Energy: 1.3897599725033134
Energy: 1.3777419973364053
Energy: 1.390800076538435
Energy: 1.625120373781397
Energy: 1.335777152225811
Energy: 1.3638743865131129
Energy: 1.3379612102906633
Energy: 1.3373359460296959
Energy: 1.3501563892476118
Energy: 1.6334616816547574
Energy: 1.3287804980056321
Energy: 1.3448234933498078
Energy: 1.3305962890662033
Energy: 1.3273839371730194
Energy: 1.328703129184528
Energy: 1.9196736388610087
Energy: 1.3393030115396347
Energy: 1.3276947467510958
Energy: 1.3897145777608146
Energy: 1.334803290879972
Energy: 1.3380736539177491
Energy: 1.939467118958354
Energy: 1.356901046121031
Energy: 1.3770022575995868
Energy: 1.4248235651836632
Energy: 1.343907531539807
Energy: 1.3744406962966091
Energy: 1.6160763725748861
Energy: 1.416067888017827
Energy: 1.381218231268963
Energy: 1.373429612744678
Energy: 1.3838026531292886
Energy: 1.4714008275001893
Energy: 2.0821353728674343
Energy: 1.3193382745751854
Energy: 1.320856017462324
Energy: 1.3533762149632516
Energy: 1.3691163972865763
Energy: 1.31808238682824
Energy: 2.101141951972594
Energy: 1.323417180312336
Energy: 1.300685668089341
Energy: 1.262032687173752
Energy: 1.3322346631718975
Energy: 1.3544555871976762
Energy: 1.9243376736781004
Energy: 1.2312935953726774
Energy: 1.35087746553434
Energy: 1.327514250584304
Energy: 1.3176645612231348
Energy: 1.3577113207190834
Energy: 1.9374853599687372
Energy: 1.2660138508756755
Energy: 1.226304963347927
Energy: 1.18197867463917
Energy: 1.1511168496164716
Energy: 1.3135393795058952
Energy: 2.120806627431295
Energy: 1.2703914397450213
Energy: 1.1669051626940945
Energy: 1.1448218673345094
Energy: 1.1744929938086572
Energy: 1.2751269656463649
Energy: 2.2489224847033134
Energy: 1.1869393909672639
Energy: 1.1609629365317788
Energy: 1.073159604575936
Energy: 1.1659806698825224
Energy: 1.2221059038683573
Energy: 1.9097166029966268
Energy: 1.1034490518770643
Energy: 1.2002571323491784
Energy: 1.0338672381391254
Energy: 1.2002881741785123
Energy: 1.3558444497604338
Energy: 2.232843979021155
Energy: 1.1891002411812797
Energy: 1.1328273128560535
Energy: 1.0273344982214878
Energy: 1.1600942380450983
Energy: 1.2216027589193899
Energy: 2.410476922052949
Energy: 1.2578480429631955
Energy: 1.037496496271125
Energy: 0.9663477375600265
Energy: 1.1601345167508768
Energy: 1.2917355706836164
Energy: 2.0698021684574024
Energy: 1.0061895213925016
Energy: 1.1530370072077456
Energy: 1.1618900093045588
Energy: 1.102711102475598
Energy: 1.3474867752768238

minimum gb energy = 0.9635189368642736 eV
minimum distance =  2.29629267150784 Angstroms
sigma value = 67


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

Energy: 0.27425793740837806
Energy: 0.5226797349938694
Energy: 0.5224507473967396
Energy: 0.5262466132891076
Energy: 0.5215501320384093
Energy: 0.2746940720538915
Energy: 1.5692425941935604
Energy: 0.4318826694242394
Energy: 0.43272644976707597
Energy: 0.4353462919601949
Energy: 0.43253473269112974
Energy: 0.4320676578126725
Energy: 1.6481697986657775
Energy: 0.488416000757459
Energy: 0.48881865921620254
Energy: 0.4483189204618601
Energy: 0.48779663905897885
Energy: 0.524407035407198
Energy: 0.27487282706618216
Energy: 0.43406455443921144
Energy: 0.4876497041791601
Energy: 0.49131578274249055
Energy: 0.4866395792642853
Energy: 0.2753941179699347
Energy: 0.2748304920841076
Energy: 0.4506556381154137
Energy: 0.49093465406307174
Energy: 0.4916357109975107
Energy: 0.49260990238857083
Energy: 0.32035884541331133
Energy: 1.561508704393016
Energy: 0.4877824075241186
Energy: 0.4875532666456015
Energy: 0.4908383930065454
Energy: 0.48675845611148705
Energy: 0.433397120378588
Energy: 0.3687361890696911
Energy: 0.5233816601602584
Energy: 0.43465508416867765
Energy: 0.49088739564242767
Energy: 0.43360204194505225
Energy: 0.5232506511811331

minimum gb energy = 0.27425793740837806 eV
minimum distance =  2.40576052353197 Angstroms
sigma value = 3


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

Energy: 2.241307643041721
Energy: 1.2489655505709285
Energy: 1.228319947423837
Energy: 1.0529437807552808
Energy: 1.2280244066837103
Energy: 1.3617687956173348
Energy: 2.2549635539556627
Energy: 1.0588803067773693
Energy: 0.9296166260967893
Energy: 0.9302955997995513
Energy: 0.9286254434481108
Energy: 1.248043316678501
Energy: 2.273767872468216
Energy: 1.08650509680034
Energy: 0.9283862329855191
Energy: 0.9486490864555971
Energy: 0.9311435525263745
Energy: 1.2369306767683659
Energy: 2.1024240244798933
Energy: 1.096616573586931
Energy: 0.9746517205246511
Energy: 0.9298332177130241
Energy: 0.9739916994331695
Energy: 1.2456570834057301
Energy: 2.1007417561900965
Energy: 1.0783493642627053
Energy: 1.098835581233424
Energy: 1.082813920770269
Energy: 1.0970943404369329
Energy: 1.2642348647232893
Energy: 2.2928814908950685
Energy: 1.0759186752523364
Energy: 1.0810217892900813
Energy: 1.0812589237372496
Energy: 1.0847439186739187
Energy: 1.2369667089615461
Energy: 2.290208899106897
Energy: 1.081005335490661
Energy: 1.0896770639937459
Energy: 1.0306796745264877
Energy: 1.0888323110355744
Energy: 1.236641157904835
Energy: 1.8242800540616655
Energy: 1.2022110968422288
Energy: 1.3772007455674922
Energy: 1.0706462368107725
Energy: 1.3557818929978878
Energy: 1.2451487591858452
Energy: 2.0943619717328077
Energy: 1.2550681816325264
Energy: 1.240448407040971
Energy: 1.3662666149867746
Energy: 1.2462262715839212
Energy: 1.2687940806319795
Energy: 2.130565014869989
Energy: 1.2884802592600897
Energy: 1.2713239059975836
Energy: 1.3098182961301283
Energy: 1.2258258677593346
Energy: 1.2423051184262017
Energy: 1.8195306833125762
Energy: 1.2566109212964842
Energy: 1.2929278546988354
Energy: 1.3252900705615878
Energy: 1.2783785178828888
Energy: 1.2568537437156804
Energy: 1.809273717154034
Energy: 1.256735634829758
Energy: 1.2508330720306007
Energy: 1.4342091325801802
Energy: 1.2498092480500997
Energy: 1.3023579765840962
Energy: 1.8129769008117345
Energy: 1.2844730702625295
Energy: 1.2429779298123926
Energy: 1.4337580604338382
Energy: 1.2463540181309207
Energy: 1.3156478975037649
Energy: 1.8129725822003995
Energy: 1.2998043612864083
Energy: 1.2744493879171006
Energy: 1.4232318568361644
Energy: 1.3269505272771231
Energy: 1.2689352249299362
Energy: 1.5616520138493801
Energy: 1.2521341691327872
Energy: 1.386226320569053
Energy: 1.3647139824096122
Energy: 1.3250926123730444
Energy: 1.28029120981102
Energy: 1.5561742313948692
Energy: 1.3979361217007635
Energy: 1.2761232901618875
Energy: 1.6976870158593698
Energy: 1.2941395602145593
Energy: 1.4005807138506563
Energy: 1.5306101460258437
Energy: 1.3107989078052984
Energy: 1.2827595674460706
Energy: 1.2893774179226087
Energy: 1.3033674803061046
Energy: 1.3110145589146665
Energy: 1.561565704590143
Energy: 1.2377298365127696
Energy: 1.3243921232653595
Energy: 1.2805024338225923
Energy: 1.2811766190443152
Energy: 1.2429725657390733
Energy: 1.5361066203736828
Energy: 1.2413264437627765
Energy: 1.245780665773633
Energy: 1.3194534424706301
Energy: 1.2458403463553467
Energy: 1.3119451850667385
Energy: 1.3675866707293507
Energy: 1.2849969763506295
Energy: 1.2591960501213124
Energy: 1.295847744374343
Energy: 1.2422607967688832
Energy: 1.2943371367071113
Energy: 1.3055861348801707
Energy: 1.258022155087382
Energy: 1.281131443912124
Energy: 1.2425203448132371
Energy: 1.2824743966316268
Energy: 1.2522309016883857
Energy: 1.3627064907059148
Energy: 1.2272144900877862
Energy: 1.262276581508014
Energy: 1.3052583852803188
Energy: 1.2422290652506711
Energy: 1.2445141184076831
Energy: 1.1319089707803915
Energy: 1.3636720373401001
Energy: 1.3698049306320839
Energy: 1.3577264906490398
Energy: 1.3710484079571283
Energy: 1.37126957346889
Energy: 1.0513039635223536
Energy: 1.0886772272292122
Energy: 1.2226094774838654
Energy: 1.3175224231382388
Energy: 1.108001957497807
Energy: 1.063464667358336
Energy: 1.0956124924862147
Energy: 1.0809391681154428
Energy: 1.2304612514535231
Energy: 1.3201709194459104
Energy: 1.2161035366595987
Energy: 1.1019950687080846
Energy: 1.050594576918775
Energy: 1.0956793838903616
Energy: 1.1961878479653707
Energy: 1.2247358588230126
Energy: 1.0993042283472356
Energy: 1.0713823909110742
Energy: 0.9298904104834578
Energy: 0.9745885528293263
Energy: 1.1110208059437947
Energy: 1.271884212640582
Energy: 0.9290946555637637
Energy: 0.9288236416892974
Energy: 0.9314059008401615
Energy: 0.9310776682499965
Energy: 1.2153772211465879
Energy: 1.3177956139003097
Energy: 1.0592326515822563
Energy: 0.9285672818328496
Energy: 0.9466396024158822
Energy: 0.9283496465968971
Energy: 1.2287253099421107
Energy: 1.3219785748185497
Energy: 0.9293852698709393
Energy: 0.9454399042626391
Energy: 1.1257169078332667
Energy: 1.2361579718309994
Energy: 1.090983083575563
Energy: 1.2542586225912902
Energy: 1.1736751565433463
Energy: 1.2355251629494823
Energy: 1.097097614337345
Energy: 1.0862947914967065
Energy: 1.2375368431359066
Energy: 1.2409837079402317
Energy: 1.0830631954617391
Energy: 1.0978003913536307
Energy: 1.0423103714476845
Energy: 1.0623709901079474
Energy: 1.0940371787892473
Energy: 1.316040315437561
Energy: 1.0891425793370686
Energy: 1.062062219415117
Energy: 1.094532110153925
Energy: 1.0961162765397519
Energy: 1.200360646821141
Energy: 1.5017947210294242
Energy: 1.0878698292967879
Energy: 1.106232200971879
Energy: 1.2993714847368785
Energy: 1.2245062482976201
Energy: 1.2279650195453358
Energy: 1.313509823270349
Energy: 1.2209701363790524
Energy: 1.2772033770923445
Energy: 1.3153025685879218
Energy: 1.2189433733998034
Energy: 1.2821953107853756
Energy: 1.321194422110165
Energy: 1.2092688384788914
Energy: 1.2402456183162407
Energy: 1.2950633703733778
Energy: 1.2902878811271759
Energy: 1.2480340089687194
Energy: 1.2803417973005289
Energy: 1.297360933660216
Energy: 1.2331182743208149
Energy: 1.4503987389954298
Energy: 1.4076366792910358
Energy: 1.2361574184414343
Energy: 1.2721763982256509
Energy: 1.234825174568427
Energy: 1.4510749913056975
Energy: 1.4404848481268426
Energy: 1.3340079735007961
Energy: 1.304573108194228
Energy: 1.3212116572603303
Energy: 1.3437904903625162
Energy: 1.2752271355806404
Energy: 1.5702033631508663
Energy: 1.3049056306279307
Energy: 1.2996348069175592
Energy: 1.2968175108224997
Energy: 1.3243554249650233
Energy: 1.2953316173752563
Energy: 1.609141117601799
Energy: 1.3151513914892998
Energy: 1.259625780351211
Energy: 1.5608030440604306
Energy: 1.2635310440195675
Energy: 1.3304173611612529
Energy: 1.6726622888514535
Energy: 1.2600433233381954
Energy: 1.2733299940983804
Energy: 1.2705206791470567
Energy: 1.2632563562046462
Energy: 1.2909684126676462
Energy: 1.6734605932964237
Energy: 1.2608310599735457
Energy: 1.3308090333295746
Energy: 1.400873191715241
Energy: 1.3035700448431533
Energy: 1.2677421106752838
Energy: 1.8283478208972246
Energy: 1.3032408109196423
Energy: 1.32555890439043
Energy: 1.5642465944808004
Energy: 1.2753309906902863
Energy: 1.2731695986479672
Energy: 1.8161167636503714
Energy: 1.3224140982684418
Energy: 1.3663249314086165
Energy: 1.3839165572567982
Energy: 1.2609423585678408
Energy: 1.3354856098508083
Energy: 1.896470734009523
Energy: 1.319137824757404
Energy: 1.4269924830083989
Energy: 1.3335714713277957
Energy: 1.3966976038156502
Energy: 1.256970107798267
Energy: 2.110260045833264
Energy: 1.2967281125711716
Energy: 1.2704554494471503
Energy: 1.2801631050126494
Energy: 1.28749313040488
Energy: 1.250961427850453
Energy: 2.1296233873444614
Energy: 1.2672281912202406
Energy: 1.2169181742601587
Energy: 1.3294935652591668
Energy: 1.2280622743790481
Energy: 1.2559601172868824
Energy: 1.9556906726863967
Energy: 1.2196614999373472
Energy: 1.2185365170240507
Energy: 1.3023908050334754
Energy: 1.2248627015082363
Energy: 1.2656342802345972
Energy: 1.9547134790995488
Energy: 1.2004062260282873
Energy: 1.105330273394583
Energy: 1.089306138528268
Energy: 1.0952629472733844
Energy: 1.2555143664176123
Energy: 2.2925354694446267
Energy: 1.246292463586469
Energy: 1.0585539282678882
Energy: 1.0538252474960965
Energy: 1.0590872522403358
Energy: 1.2227302141362462
Energy: 2.2415693871453715
Energy: 1.0947374746351066
Energy: 1.0827608521711636
Energy: 1.0970693290123308
Energy: 1.0960583374694224
Energy: 1.2470981886504033

minimum gb energy = 0.9283496465968971 eV
minimum distance =  2.21248450165572 Angstroms
sigma value = 81


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

Energy: 2.2933090908230054
Energy: 1.4218965544902271
Energy: 1.1871359738910092
Energy: 1.1852923737954646
Energy: 1.1842541852858568
Energy: 1.5201069339099516
Energy: 2.1546232448582936
Energy: 1.1368910840517668
Energy: 1.0533939533439889
Energy: 1.054429182747653
Energy: 1.040685643865255
Energy: 1.3730367238061818
Energy: 2.200474125958631
Energy: 1.1431965217568931
Energy: 1.0411091753845465
Energy: 1.0418813183644475
Energy: 1.0409781245319916
Energy: 1.365578539196217
Energy: 2.3690805446718755
Energy: 1.1989848120255562
Energy: 1.1088253052749317
Energy: 1.0466477232882891
Energy: 1.1089328825186295
Energy: 1.452370985059547
Energy: 2.3664802096538877
Energy: 1.2423685415063448
Energy: 1.276564907511372
Energy: 1.2022707112434274
Energy: 1.1954837487021432
Energy: 1.4598710633909395
Energy: 2.1237015680127453
Energy: 1.2636231151837491
Energy: 1.2458153170070423
Energy: 1.2312029325801286
Energy: 1.2289479168441824
Energy: 1.4943753188675966
Energy: 2.1168123857028913
Energy: 1.2574829820452804
Energy: 1.2480292203736738
Energy: 1.2026912430452519
Energy: 1.2555808731934053
Energy: 1.4421592495576951
Energy: 2.0099724863614132
Energy: 1.4135133127784787
Energy: 1.5966788946342578
Energy: 1.2306209246917976
Energy: 1.3438934594538259
Energy: 1.4157580574235638
Energy: 1.9217482303573796
Energy: 1.5075666016307478
Energy: 1.4545681779661421
Energy: 1.5014916746120832
Energy: 1.4276394837464716
Energy: 1.4884155075981764
Energy: 1.9273406516615006
Energy: 1.484012321590949
Energy: 1.4765297797518595
Energy: 1.5920387535356904
Energy: 1.4411933695596246
Energy: 1.4517910727774679
Energy: 1.6972185152192956
Energy: 1.4264789349811862
Energy: 1.4714312300609316
Energy: 1.6261884648734517
Energy: 1.465923669145406
Energy: 1.4286831206002302
Energy: 1.9308652867837761
Energy: 1.4565238860960854
Energy: 1.4580224754343551
Energy: 1.8473318274186292
Energy: 1.4503918872750776
Energy: 1.506205392773507
Energy: 1.5385278311676402
Energy: 1.4368489114277816
Energy: 1.4570340071935621
Energy: 1.8507507510491183
Energy: 1.3851853290108715
Energy: 1.4070474787807337
Energy: 1.540397482392996
Energy: 1.447054333753505
Energy: 1.4125352124738157
Energy: 1.8408536533103728
Energy: 1.424678335000707
Energy: 1.4261241865241225
Energy: 1.569588699785348
Energy: 1.3491340572693504
Energy: 1.435211835031756
Energy: 1.7088890117810538
Energy: 1.4349402599341516
Energy: 1.351744659381307
Energy: 1.4254804863099066
Energy: 1.5927605009408694
Energy: 1.3484673169080021
Energy: 1.8996289778160822
Energy: 1.446163106637224
Energy: 1.5822409260813783
Energy: 1.3150132087541564
Energy: 1.36713401783384
Energy: 1.3534146307211241
Energy: 1.5091338808095336
Energy: 1.4025038469697562
Energy: 1.3260408003205792
Energy: 1.3335180484047473
Energy: 1.3221828933342825
Energy: 1.3511565533065528
Energy: 1.514260780468344
Energy: 1.3453064973904523
Energy: 1.3466816382739895
Energy: 1.3147092091463066
Energy: 1.3153711333887872
Energy: 1.3284500574282119
Energy: 1.8022693440977389
Energy: 1.3169757913708868
Energy: 1.3433325764989534
Energy: 1.1402084509090793
Energy: 1.144169798727065
Energy: 1.1409724133365438
Energy: 1.4313361404502147
Energy: 1.1461326479342384
Energy: 1.1316849690243274
Energy: 1.1363359620029487
Energy: 1.124841284912126
Energy: 1.128881446317809
Energy: 1.5150046817489644
Energy: 1.1294953406308204
Energy: 1.1358941012796233
Energy: 1.1375343987646602
Energy: 1.1621119490545404
Energy: 1.1744702581170627
Energy: 1.439380573337291
Energy: 1.1638399103870336
Energy: 1.1425392752007248
Energy: 1.3762936082680404
Energy: 1.3943020253673575
Energy: 1.5691464117339673
Energy: 2.3150582368999895
Energy: 1.3774891276311676
Energy: 1.3943172800500634
Energy: 1.2693804355146527
Energy: 1.163000674827026
Energy: 1.1939429405979578
Energy: 1.5524097421805911
Energy: 1.164897565416719
Energy: 1.1628501157426392
Energy: 1.204453009750209
Energy: 1.1422758546977818
Energy: 1.1845126995351278
Energy: 1.7481796015637627
Energy: 1.1775910538245378
Energy: 1.16873002705463
Energy: 1.2127907598752692
Energy: 1.2031080462522983
Energy: 1.1977922667024796
Energy: 1.4206627708587167
Energy: 1.20261193087889
Energy: 1.2048982495396137
Energy: 1.5822615278904768
Energy: 1.4301708715439234
Energy: 1.4300263822564014
Energy: 1.4615092016300106
Energy: 1.4225267773167019
Energy: 1.4553933066011995
Energy: 1.5007356729884092
Energy: 1.432209105076734
Energy: 1.4909135135461051
Energy: 1.9601328307832007
Energy: 1.4459921378179708
Energy: 1.4457817586468742
Energy: 1.5853746825102037
Energy: 1.4799739686134228
Energy: 1.425911375354386
Energy: 1.480840891035434
Energy: 1.4890737414717243
Energy: 1.4714253785735363
Energy: 1.5695071264482068
Energy: 1.5767827490686104
Energy: 1.4566849004396307
Energy: 1.771961671000678
Energy: 1.5588736611081035
Energy: 1.6202898144933986
Energy: 1.8204135522490428
Energy: 1.420809436250141
Energy: 1.629973068212081
Energy: 1.560577047537453
Energy: 1.5209943320409902
Energy: 1.4226838873067322
Energy: 1.912929001972314
Energy: 1.512261576186307
Energy: 1.5155255379304893
Energy: 1.5648472136889386
Energy: 1.4979834673667418
Energy: 1.4652017774660115
Energy: 1.9172452091307708
Energy: 1.4907288045574107
Energy: 1.4239549743205548
Energy: 1.5759772147000686
Energy: 1.4236540128177686
Energy: 1.4912544461689514
Energy: 2.190315919082272
Energy: 1.440604180987563
Energy: 1.4529349519614168
Energy: 1.5753327342581702
Energy: 1.4307196900735062
Energy: 1.47497708702272
Energy: 1.8988751645775301
Energy: 1.4134184155060117
Energy: 1.2630932479865773
Energy: 1.2627470462577002
Energy: 1.263873428926918
Energy: 1.4403641168948427
Energy: 2.201489398762428
Energy: 1.2600965397076982
Energy: 1.224887827348995
Energy: 1.219134954517708
Energy: 1.223673336969164
Energy: 1.343777805168819
Energy: 2.144059334147442
Energy: 1.3722404622643842
Energy: 1.2698859417303479
Energy: 1.257337772803156
Energy: 1.2512590047661312
Energy: 1.372091453249343
Energy: 2.2026306646825584
Energy: 1.2837042837721604
Energy: 1.185383411417938
Energy: 1.1849639141618078
Energy: 1.1856142266799106
Energy: 1.4378451326411257

minimum gb energy = 1.040685643865255 eV
minimum distance =  2.29474254572816 Angstroms
sigma value = 43


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

Energy: 2.1228077430098415
Energy: 1.5340009616539394
Energy: 1.2629700287287537
Energy: 1.2635188766159022
Energy: 1.2633259522345788
Energy: 2.1651546385568516
Energy: 2.0380041642348314
Energy: 1.0995511936091111
Energy: 1.0985482804787594
Energy: 1.0981384978469424
Energy: 1.099326227103637
Energy: 1.597065003119122
Energy: 2.0428576885497
Energy: 1.0977740980184545
Energy: 1.1039511049959116
Energy: 1.0987723171062436
Energy: 1.1037386708670531
Energy: 1.3463564899578921
Energy: 2.226811518256579
Energy: 1.331577635346407
Energy: 1.1063271917122643
Energy: 1.1075561743184044
Energy: 1.1064037391732686
Energy: 1.5593255409315316
Energy: 2.183842976749978
Energy: 1.320156880610517
Energy: 1.3331460446115473
Energy: 1.2988460182777415
Energy: 1.3286227784066285
Energy: 1.3785553471278191
Energy: 2.044934328855703
Energy: 1.3456450861564173
Energy: 1.3395267532351016
Energy: 1.3320319159086411
Energy: 1.3381846074014703
Energy: 1.3622073067432519
Energy: 2.002873489746656
Energy: 1.3428053481214397
Energy: 1.3585647092426087
Energy: 1.3333466592601875
Energy: 1.3583501857006746
Energy: 1.3475515170629602
Energy: 1.7730545278530006
Energy: 1.540072359271207
Energy: 1.6325538414136067
Energy: 1.321228595099885
Energy: 1.4420714475367404
Energy: 1.5533109812688697
Energy: 1.7482583921329269
Energy: 1.6392495175246624
Energy: 1.5822059157209938
Energy: 1.565875906950574
Energy: 1.569658253566192
Energy: 1.613607134557728
Energy: 1.7402039867111738
Energy: 1.5977138936293145
Energy: 1.5295984484637624
Energy: 1.7349434341007441
Energy: 1.5915380524145997
Energy: 1.590752678587166
Energy: 1.7859959494847535
Energy: 1.5595621819256758
Energy: 1.5764648654892959
Energy: 1.7751460755772572
Energy: 1.6027004241262226
Energy: 1.5584949679718703
Energy: 1.7492623890309797
Energy: 1.5889600632834064
Energy: 1.6193277580633547
Energy: 2.002843729302651
Energy: 1.5657560675218585
Energy: 1.5946390811387674
Energy: 1.349951111345371
Energy: 1.3400658069571223
Energy: 1.5230580513530392
Energy: 2.0156249233390993
Energy: 1.542156728846799
Energy: 1.3647999035095013
Energy: 1.3298782581128723
Energy: 1.3310118333914522
Energy: 1.6063284408229694
Energy: 1.9724159600086824
Energy: 1.3624267153360194
Energy: 1.3190280572601616
Energy: 1.3592643772979114
Energy: 1.3811754191592471
Energy: 1.5877455692698073
Energy: 1.7375758298894415
Energy: 1.3782153938699293
Energy: 1.3821212578523365
Energy: 1.2632236362675258
Energy: 1.2630953622131724
Energy: 1.539780798467693
Energy: 2.028592775389539
Energy: 1.3299649941406113
Energy: 1.2635086430503653
Energy: 1.089149656059084
Energy: 1.0886163152607702
Energy: 1.3587298942599417
Energy: 1.927100390734725
Energy: 1.0959825752303924
Energy: 1.0889251973365774
Energy: 1.1028558785273768
Energy: 1.1042903846330216
Energy: 1.346225442549899
Energy: 1.9722054948072554
Energy: 1.0973719382074767
Energy: 1.1039742139603483
Energy: 1.1058407395943752
Energy: 1.1065275139329296
Energy: 1.3553187924180612
Energy: 1.5808646264022634
Energy: 1.33160706544545
Energy: 1.1061040176376318
Energy: 1.2987913906742357
Energy: 1.3326772001128997
Energy: 1.3199013307884255
Energy: 1.3704346043378062
Energy: 1.330635564401088
Energy: 1.3362985251678974
Energy: 1.3434772703423556
Energy: 1.3614700923232665
Energy: 1.3458472177824137
Energy: 1.9723474633404678
Energy: 1.3455344351330023
Energy: 1.3509158525614702
Energy: 1.2929512290974745
Energy: 1.358397266328068
Energy: 1.3661536649848927
Energy: 1.5631262200819556
Energy: 1.3585596961720177
Energy: 1.3272943255547325
Energy: 1.3195402309583446
Energy: 1.4089702964268924
Energy: 1.685266542074067
Energy: 1.9323973712891038
Energy: 1.6453029723006674
Energy: 1.341607917332726
Energy: 1.5656186957835907
Energy: 1.5692377770520396
Energy: 1.6478443706208767
Energy: 1.7379866297029576
Energy: 1.6129314224371802
Energy: 1.5652625946833372
Energy: 1.7970387235392362
Energy: 1.538465142310658
Energy: 1.5763236078401712
Energy: 1.7877777219510784
Energy: 1.6049513063481582
Energy: 1.5289979219898278
Energy: 1.810487273040996
Energy: 1.5983441083639047
Energy: 1.5357230975751566
Energy: 1.7786467448426417
Energy: 1.5701338670151554
Energy: 1.5714333792079394
Energy: 1.9827257967069423
Energy: 1.5825124864297186
Energy: 1.58810339337176
Energy: 1.7790022757676833
Energy: 1.5457005296074031
Energy: 1.5993366760894612
Energy: 2.0020941041804106
Energy: 1.5397661172628314
Energy: 1.340592113956398
Energy: 1.319180318350549
Energy: 1.341329064725371
Energy: 1.523077533349587
Energy: 1.9790703243316017
Energy: 1.3620340704511453
Energy: 1.3322473734476592
Energy: 1.331178448870105
Energy: 1.3615118359425957
Energy: 1.595479527751752
Energy: 1.9891227311504383
Energy: 1.5596622256196537
Energy: 1.3829268695052548
Energy: 1.3603142436967735
Energy: 1.3742526028048458
Energy: 1.613330770411071
Energy: 2.0400765765714772
Energy: 1.324969844535126
Energy: 1.2631648601837981
Energy: 1.263580531741334
Energy: 1.354811712153534
Energy: 1.540181788217024

minimum gb energy = 1.0886163152607702 eV
minimum distance =  2.30090816018673 Angstroms
sigma value = 57


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

Energy: 1.9287714455738139
Energy: 1.6975792806701135
Energy: 1.3479846260494088
Energy: 1.34818475467031
Energy: 1.348924218340992
Energy: 1.7403343550628074
Energy: 2.0983085661521153
Energy: 1.1747713150989219
Energy: 1.162357105373573
Energy: 1.180773567620103
Energy: 1.169482625043652
Energy: 1.4729432265827118
Energy: 2.0396751549936343
Energy: 1.1719301276960103
Energy: 1.1872105180493748
Energy: 1.1981277470113367
Energy: 1.1759574337290006
Energy: 1.4795681626774786
Energy: 2.122672630557783
Energy: 1.470200261671749
Energy: 1.1589079812582552
Energy: 1.1886921697615658
Energy: 1.1588195653266322
Energy: 1.8187354882015172
Energy: 2.1709074800331756
Energy: 1.463035487580402
Energy: 1.4999575217364023
Energy: 1.4624322195158712
Energy: 1.4651021488457832
Energy: 1.5644567757093812
Energy: 2.061891388446748
Energy: 1.4749125144421324
Energy: 1.4761243692638415
Energy: 1.4934676176116817
Energy: 1.4878686521792686
Energy: 1.4740515289373286
Energy: 2.062370788634063
Energy: 1.492865429394883
Energy: 1.4802266881887634
Energy: 1.511183087108509
Energy: 1.4728517639635403
Energy: 1.5596784250550095
Energy: 1.5222758866420938
Energy: 1.760828955056931
Energy: 1.5037970083615417
Energy: 1.4490287354921887
Energy: 1.501734565258579
Energy: 1.793287670304716
Energy: 1.5718831340380972
Energy: 1.822021128655776
Energy: 1.7856936576321154
Energy: 1.8404644450398688
Energy: 1.779173376799174
Energy: 1.7797315955674182
Energy: 1.5300601478915627
Energy: 1.4729052666568465
Energy: 1.7414550089467231
Energy: 1.8016961211401405
Energy: 1.473289495977304
Energy: 1.5126677633436911
Energy: 1.519007343381179
Energy: 1.4763085735878945
Energy: 1.745237548025933
Energy: 1.8405322212911566
Energy: 1.4804476724335305
Energy: 1.5182257188330004
Energy: 1.473731741252851
Energy: 1.4870495365017298
Energy: 1.4776114661912594
Energy: 2.312216416226709
Energy: 1.4692657785151348
Energy: 1.4911331759220396
Energy: 1.3604492016238157
Energy: 1.19296656219573
Energy: 1.4678789702060155
Energy: 1.7298166660042893
Energy: 1.1803244520039764
Energy: 1.1587932146795408
Energy: 1.1899695068406504
Energy: 1.1716589598517366
Energy: 1.4731446675594666
Energy: 1.8688164934144604
Energy: 1.172504583199377
Energy: 1.1960125495195444
Energy: 1.198429494037235
Energy: 1.1689235792713595
Energy: 1.4875538751546835
Energy: 1.877399986502759
Energy: 1.1824738169117357
Energy: 1.168970715499956
Energy: 1.348189570636216
Energy: 1.3484259438991968
Energy: 1.7322947728901281
Energy: 2.2873430570545903
Energy: 1.4651243634819373
Energy: 1.3483135255674343
Energy: 1.469524451979277
Energy: 1.5017087510170402
Energy: 1.4886314621280443
Energy: 1.800333073307975
Energy: 1.4890233445908403
Energy: 1.4955764481567717
Energy: 1.4669894489400646
Energy: 1.465556674551156
Energy: 1.4742653753552837
Energy: 1.8247825750162783
Energy: 1.4802882909415607
Energy: 1.4924451577671451
Energy: 1.4627432210818538
Energy: 1.4734475197737038
Energy: 1.7587413708357138
Energy: 1.805629004147419
Energy: 1.5124914041432973
Energy: 1.510181011617333
Energy: 1.7781481622742656
Energy: 1.7735357656438266
Energy: 1.7966980607116712
Energy: 2.0857346179951057
Energy: 1.7530672327652088
Energy: 1.792237203952728
Energy: 1.8463788808835784
Energy: 1.7465354427550055
Energy: 1.474214299025175
Energy: 1.479161005099927
Energy: 1.5035724960276833
Energy: 1.8061091710747808
Energy: 1.7658003687610075
Energy: 1.473065651094576
Energy: 1.484955649560806
Energy: 1.5089511330894168
Energy: 1.4728038272997532
Energy: 1.7582767787188505
Energy: 1.8792832798271457
Energy: 1.475870108141473
Energy: 1.5310490924128193
Energy: 1.5422522914905281
Energy: 1.4837559667198632
Energy: 1.7454604825609872
Energy: 2.4296200773756693
Energy: 1.464852264368773
Energy: 1.4839886835957299
Energy: 1.4147954327278616
Energy: 1.4918272995315132
Energy: 1.4718457622554169

minimum gb energy = 1.1587932146795408 eV
minimum distance =  2.26778643398556 Angstroms
sigma value = 17


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

Energy: 2.513503449015428
Energy: 1.886984353030792
Energy: 1.5135780594819408
Energy: 1.5640540753174967
Energy: 1.5138296168906418
Energy: 1.9995762135776574
Energy: 1.3351446253718737
Energy: 1.246823576168913
Energy: 1.2816527833805602
Energy: 1.2884476070091373
Energy: 1.2804805866811186
Energy: 1.6766468803196033
Energy: 1.3313197390984892
Energy: 1.24665388001222
Energy: 1.2781787812618608
Energy: 1.2770422469377591
Energy: 1.2853904078765437
Energy: 1.7290538430674713
Energy: 1.7876001457920758
Energy: 1.654137519223966
Energy: 1.2572893417444848
Energy: 1.3358315398724199
Energy: 1.2554120060123097
Energy: 1.6567728698267734
Energy: 1.7865097220791293
Energy: 1.6577334211519714
Energy: 1.6766816812497511
Energy: 1.3310342610174597
Energy: 1.6542092465904819
Energy: 1.715590329943502
Energy: 1.8082254503604611
Energy: 1.3918527444979036
Energy: 1.65665451426875
Energy: 1.2350168405792084
Energy: 1.6629464902572286
Energy: 1.3903459989741145
Energy: 1.8318790993833327
Energy: 1.6021950443355635
Energy: 1.5621546300850713
Energy: 1.3559601827999517
Energy: 1.3906792260798044
Energy: 1.7857350080154584
Energy: 1.8507354051496434
Energy: 1.7127081350224438
Energy: 1.6709858232003374
Energy: 1.3784863935940541
Energy: 1.7140511856041292
Energy: 1.7692937297054583
Energy: 1.368935258163668
Energy: 1.6795053157176696
Energy: 1.9940103711932835
Energy: 2.2755050015296345
Energy: 1.6988332503683092
Energy: 1.3064657989827981
Energy: 1.3022971008478037
Energy: 1.3013050113602487
Energy: 1.2541538960141498
Energy: 2.1617700301566427
Energy: 1.2808203750392124
Energy: 1.3034633146480148
Energy: 1.2821664090143232
Energy: 1.2833892459905523
Energy: 1.257801585780825
Energy: 1.3645537768989249
Energy: 1.256019810042923
Energy: 1.2833551791859614
Energy: 1.2975779735218764
Energy: 1.2562164697197493
Energy: 1.6861675192454169
Energy: 1.787907243613338
Energy: 1.2564082056964918
Energy: 1.3081739613925627
Energy: 1.3871156239455082
Energy: 1.6769122423549756
Energy: 1.6543842728284412
Energy: 1.7911592282448636
Energy: 1.654256965331607
Energy: 1.3066012878861872
Energy: 1.2348966863075939
Energy: 1.658053217912676
Energy: 1.3926035789140627
Energy: 1.331832053992216
Energy: 1.3962427059620257
Energy: 1.2350780630352465
Energy: 1.3289065138495917
Energy: 1.3895577093156084
Energy: 1.5972697790330255
Energy: 1.8160996989153257
Energy: 1.3899970476840038
Energy: 1.6783877145507955
Energy: 1.3059476756857897
Energy: 1.3919258466207611
Energy: 1.705480411818563
Energy: 1.7780247603987986
Energy: 1.7065484259081347
Energy: 1.3023201949968306
Energy: 2.3197223394964555
Energy: 1.6555501313389507
Energy: 1.7244525348161046
Energy: 1.3592227889003623
Energy: 1.6768992786848829
Energy: 2.179025421617653

minimum gb energy = 1.2348966863075939 eV
minimum distance =  2.1934010998169 Angstroms
sigma value = 17


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

Energy: 2.8904748829178555
Energy: 1.931820402101457
Energy: 1.5773141320025135
Energy: 1.5790406335632492
Energy: 1.5806930498231961
Energy: 2.0278243119212114
Energy: 1.7240080430498987
Energy: 1.3204876513320325
Energy: 1.3444881138629339
Energy: 1.3421047447990446
Energy: 1.3203273639775832
Energy: 1.60148120594896
Energy: 1.9659328648443979
Energy: 1.3335756429663874
Energy: 1.3416175233357834
Energy: 1.3390782997056359
Energy: 1.3407281339983035
Energy: 1.7985515236279026
Energy: 2.0147827869620625
Energy: 1.9091010726082116
Energy: 1.3384491024194014
Energy: 1.3379311069212951
Energy: 1.3456898056705762
Energy: 1.899985561816702
Energy: 1.9198765850652666
Energy: 2.0889001798909566
Energy: 2.159078385502771
Energy: 1.7936293553821299
Energy: 2.071673329301856
Energy: 2.112256624685155
Energy: 1.3764574827386402
Energy: 1.3450265481489685
Energy: 2.0903523674521196
Energy: 2.2080414879498185
Energy: 2.052170913630785
Energy: 1.3397431544082103
Energy: 1.3428480298009453
Energy: 1.3392757750566298
Energy: 1.3364952615148702
Energy: 1.9964226620787362
Energy: 1.335869362452845
Energy: 1.3465278388291964
Energy: 1.314843116357266
Energy: 1.31546866163591
Energy: 1.3137293320227643
Energy: 1.8362546709849479
Energy: 1.3195123865664633
Energy: 1.3219232640394447
Energy: 1.5658962299167096
Energy: 1.3399045261487548
Energy: 2.047514008169024
Energy: 2.3538013400549183
Energy: 1.585910386783651
Energy: 1.507513938126849
Energy: 1.563988769727557
Energy: 1.5833165240250526
Energy: 1.581056392313354
Energy: 2.0940657064017545
Energy: 1.5730728100046139
Energy: 1.6014499389379109
Energy: 1.6000449919975994
Energy: 1.5810323905772103
Energy: 1.6856078560830718
Energy: 1.969835418697393
Energy: 1.6692081557017804
Energy: 1.5900237644042128
Energy: 1.5602429003133587
Energy: 1.6779600867758848
Energy: 1.861014373361699
Energy: 1.9884019340883479
Energy: 1.8952144874442203
Energy: 1.6093870603108809
Energy: 1.6695232033292715
Energy: 1.853217267109374
Energy: 1.9403553015119825
Energy: 1.9975287154268881
Energy: 1.9207198545837925
Energy: 1.8893913364383732
Energy: 2.2206879064927163
Energy: 1.9828840774852974
Energy: 1.3086384884719933
Energy: 1.3190353839522835
Energy: 1.9332428080494164
Energy: 2.086692382374328
Energy: 1.8085582365997945
Energy: 1.2808277935855708
Energy: 1.285148685150457
Energy: 1.2933573031106511
Energy: 1.2872860141272748
Energy: 1.7479900083199365
Energy: 1.879955619014276
Energy: 1.275264515944748
Energy: 1.2837098174568713
Energy: 1.2856153571514588
Energy: 1.2738059126581824
Energy: 1.2747820703327548
Energy: 2.3133417240419925
Energy: 1.2901256263143863
Energy: 1.2984614262162815
Energy: 1.3359220891748393
Energy: 1.2977468311322728
Energy: 2.103587465306392
Energy: 2.3120889298206873
Energy: 1.9395233265873575
Energy: 2.0123936525169266
Energy: 1.5786673253858174
Energy: 1.7198375414735154
Energy: 1.9174310211982357
Energy: 1.5651864743409385
Energy: 1.897073795549425
Energy: 1.9983788198914658
Energy: 1.797656114582544
Energy: 1.932303709434814
Energy: 1.6739693986008217
Energy: 1.5581229681209356
Energy: 1.6783553151996438
Energy: 1.8612613738143367
Energy: 1.9525113220965125
Energy: 1.8984030963589027
Energy: 1.6011487978473442
Energy: 1.5898202236072703
Energy: 1.5840620086834247
Energy: 1.6477779072239318
Energy: 1.8676426622463482
Energy: 1.6471203375329615
Energy: 1.580035099158507
Energy: 1.5350448766643792
Energy: 1.6238116881546636
Energy: 1.7678276425733606
Energy: 2.479321929884757
Energy: 1.6118439644398834
Energy: 1.6288182260473671
Energy: 1.3430346804219615
Energy: 1.34184721129993
Energy: 1.3184017782521404
Energy: 2.1260341073565976
Energy: 1.335893456268488
Energy: 1.340975790762744
Energy: 1.3174773592643367
Energy: 1.3201007897900652
Energy: 1.3339838262746286
Energy: 1.8910752828329744
Energy: 1.3153608866493482
Energy: 1.3189407602535486
Energy: 1.3425913443895712
Energy: 1.345099794511296
Energy: 1.6868844837207861
Energy: 2.3224379589423667
Energy: 1.345968885847595
Energy: 1.3381111076192986
Energy: 1.3711968681750204
Energy: 1.700655259925663
Energy: 2.0604899995745227
Energy: 1.9908154667182172
Energy: 2.0800544814446615
Energy: 1.7006955574598785
Energy: 2.239211881452433
Energy: 2.0809858923459355
Energy: 1.9912398842485268
Energy: 1.358177231495726
Energy: 2.0437948523739964
Energy: 2.0712736220759185
Energy: 2.162889980071113
Energy: 1.3395582046060128
Energy: 1.3394294087463567
Energy: 1.3361272665047403
Energy: 1.341027517131987
Energy: 2.002325547203516
Energy: 2.037647725104941
Energy: 1.3147635805243
Energy: 1.316204387604828
Energy: 1.3290048240257941
Energy: 1.3158809753265999
Energy: 1.3343552418128064
Energy: 2.3581678040158707
Energy: 1.3290654835424789
Energy: 1.337194868069696
Energy: 1.3428381594790069
Energy: 1.3421374098829775
Energy: 1.7438367453582058
Energy: 2.360632531568696
Energy: 1.3452610611402271
Energy: 1.6211677257047894
Energy: 1.5887220461859668
Energy: 1.343713478039156
Energy: 1.49260393534587
Energy: 2.026222531270536
Energy: 1.643352239024061
Energy: 1.572946830275499
Energy: 1.565928110763214
Energy: 1.5693832410788875
Energy: 1.655872838562902
Energy: 1.947632172590133
Energy: 1.6878139246629529
Energy: 1.5939831194239737
Energy: 1.5601527196354992
Energy: 1.8985568301106757
Energy: 2.005618083664064
Energy: 2.0825337960456882
Energy: 1.9221854783111958
Energy: 1.6799837646927822
Energy: 1.5769453332833605
Energy: 1.883582204633816
Energy: 1.9295371631934353
Energy: 1.5680774168022247
Energy: 1.9713407577199704
Energy: 1.7135761067290545
Energy: 2.1907387381246304
Energy: 1.7230159260171372
Energy: 1.978364830116549
Energy: 1.2900093947654585
Energy: 1.2907051275756414
Energy: 1.5471060058359984
Energy: 2.188584978530698
Energy: 1.2996167732062534
Energy: 1.289752236348024
Energy: 1.2919183296435726
Energy: 1.2806413631820177
Energy: 1.2741189789367202
Energy: 1.9039333623462436
Energy: 1.2747705816581036
Energy: 1.2719880836093223
Energy: 1.2970719845045733
Energy: 1.2961345000183848
Energy: 1.2807358070726353
Energy: 1.968966329030106
Energy: 1.2849976098141138
Energy: 1.2917264609630597
Energy: 1.316365507235164
Energy: 2.0141616244813396
Energy: 1.9070550586767412
Energy: 2.01471232009826
Energy: 2.0449675398349307
Energy: 1.6346633241661965
Energy: 1.803666601178312
Energy: 1.9318530450676057
Energy: 1.6780279342653746
Energy: 1.5682075401297026
Energy: 1.9804469661019406
Energy: 1.9403328482889657
Energy: 1.949705965846801
Energy: 1.9175180182325866
Energy: 1.6767672052446563
Energy: 1.5626736005020632
Energy: 1.897540368500573
Energy: 1.974591359092189
Energy: 1.9321922019977253
Energy: 1.6679839002097936
Energy: 1.5868477393437022
Energy: 1.5963183828546943
Energy: 1.5894070449010829
Energy: 2.0147414908287073
Energy: 1.9423224556958523
Energy: 1.5786924009371457
Energy: 1.5984387670830145
Energy: 1.5854964708668216
Energy: 1.3460518666954795
Energy: 1.5342179895236787

minimum gb energy = 1.2719880836093223 eV
minimum distance =  2.1947000694557 Angstroms
sigma value = 57


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

Energy: 2.371125904062523
Energy: 2.0281508350913504
Energy: 1.6178843324812802
Energy: 1.6159336397194823
Energy: 1.6197675533929818
Energy: 2.075728118199827
Energy: 2.347170059815718
Energy: 1.336304871019684
Energy: 1.353756528880927
Energy: 1.3896050199166237
Energy: 1.3420251027201542
Energy: 1.3365983203233631
Energy: 1.7705338484539348
Energy: 1.3604442662818512
Energy: 1.3381075515466725
Energy: 1.3642767321939184
Energy: 1.3366998814843243
Energy: 1.723964982132685
Energy: 1.9343518472705665
Energy: 1.680103095112146
Energy: 1.3727558120504646
Energy: 1.4006971465656586
Energy: 1.3650656601726678
Energy: 2.0908491348087828
Energy: 1.7894199905183068
Energy: 2.010291786477898
Energy: 2.1742573423006926
Energy: 2.1088523235132715
Energy: 2.0783994175881753
Energy: 2.0968027626231254
Energy: 1.3964838447689512
Energy: 1.647480377111535
Energy: 2.0101172208620404
Energy: 2.2429543134625542
Energy: 1.7389850223973013
Energy: 1.4011012452337681
Energy: 1.4090473954817233
Energy: 1.3935520881990555
Energy: 1.3956834871347645
Energy: 2.1128294739501237
Energy: 1.4026755212952706
Energy: 1.4032841663624036
Energy: 1.3740414557703522
Energy: 1.3754372169898705
Energy: 1.3604173697903168
Energy: 2.072780067877696
Energy: 1.3619654979952394
Energy: 1.3686220251155845
Energy: 1.6484422237343812
Energy: 1.4015918070776692
Energy: 2.0593380385219042
Energy: 2.458934556656319
Energy: 1.6281885602429755
Energy: 1.6448240173883026
Energy: 1.4297218756207168
Energy: 1.6638538708410895
Energy: 1.6673697731006272
Energy: 2.2625626662007425
Energy: 1.6603664861699043
Energy: 1.666538495123073
Energy: 1.5824336038153959
Energy: 1.6825498373815369
Energy: 1.876677399581683
Energy: 1.8573085717167561
Energy: 1.6692640240090169
Energy: 1.674456225750083
Energy: 1.4477703106988842
Energy: 1.887919195660269
Energy: 1.8545919383946583
Energy: 1.8650583289876537
Energy: 1.8851799846203912
Energy: 1.7265170656124187
Energy: 1.4427517621896868
Energy: 1.8916890561193873
Energy: 1.8507581202888832
Energy: 1.871452029595309
Energy: 1.8853223335817133
Energy: 1.8806047844505978
Energy: 2.1327468788904476
Energy: 2.116356505552705
Energy: 2.0415493170051224
Energy: 1.4819450427890402
Energy: 2.0411072791991045
Energy: 2.098007593539535
Energy: 2.0016902180643625
Energy: 1.471644370744084
Energy: 1.4778355927860523
Energy: 1.4820635695747764
Energy: 1.4696099724966953
Energy: 1.697608824335146
Energy: 1.5847723766945871
Energy: 1.5437269624872345
Energy: 1.4792116834788223
Energy: 1.4556453042133732
Energy: 1.5079504585929766
Energy: 1.7125944585781745
Energy: 1.9022792531539623
Energy: 1.580410543752266
Energy: 1.5420212929679613
Energy: 1.4644721662197995
Energy: 1.474680432736981
Energy: 1.5833847437405897
Energy: 2.2697732993738198
Energy: 2.016847338936173
Energy: 2.0645769726462717
Energy: 2.0046944385706564
Energy: 2.034816709868543
Energy: 1.9661570781172886
Energy: 1.4098155455446073
Energy: 1.661236836385833
Energy: 2.124071302186573
Energy: 2.3853562995887403
Energy: 2.0478426608248443
Energy: 1.4099033772844254
Energy: 1.40342392331947
Energy: 1.392158169990578
Energy: 1.393499713750273
Energy: 2.0711051729029024
Energy: 1.3946066226684717
Energy: 1.3958393918195353
Energy: 1.382449675966562
Energy: 1.3842299609987363
Energy: 1.3934889259131717
Energy: 2.1045220507087437
Energy: 1.3599668617905027
Energy: 1.3783919901969812
Energy: 1.636743070044493
Energy: 1.3992582749808948
Energy: 2.0580426849633864
Energy: 1.9409003903685436
Energy: 1.4037974609615151
Energy: 1.3915853233984596
Energy: 1.7612300921170396
Energy: 1.7696371550367282
Energy: 1.5320949928542362
Energy: 2.4050524962060646
Energy: 1.3742993156358392
Energy: 1.7633047435099392
Energy: 1.5875481317997882
Energy: 1.7463722441612746
Energy: 1.7358880872843427
Energy: 1.7567230422747657
Energy: 1.5154950730638599
Energy: 1.7349965354833161
Energy: 1.7823917112021486
Energy: 1.730521029596875
Energy: 1.76242732888341
Energy: 1.7680868953670608
Energy: 1.7398293695700175
Energy: 1.7750209031267379
Energy: 1.768862188713823
Energy: 1.7211653929683515
Energy: 1.7253794456879348
Energy: 1.7527877662251
Energy: 1.7607971868002796
Energy: 1.7283493521345559
Energy: 2.2874521296802035
Energy: 1.8095036092973573
Energy: 1.817496412362684
Energy: 1.6129050715799609
Energy: 1.807691204541784
Energy: 1.9302870460600796

minimum gb energy = 1.336304871019684 eV
minimum distance =  2.22195825427642 Angstroms
sigma value = 43


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

Energy: 2.6822097927319595
Energy: 2.0309561779700385
Energy: 1.648888235525335
Energy: 1.652128535785438
Energy: 1.6380609398051205
Energy: 2.0842954493885024
Energy: 1.7523244411431462
Energy: 1.3473464031698374
Energy: 1.4023729156059062
Energy: 1.3946963215441768
Energy: 1.3921473404996525
Energy: 1.3481801560077256
Energy: 2.0733587744919797
Energy: 1.3500200685239936
Energy: 1.4032821941906737
Energy: 1.3978569486083419
Energy: 1.3483586471870013
Energy: 1.6562597583976295
Energy: 2.0389759382639077
Energy: 1.9832906495476001
Energy: 1.3626390870506642
Energy: 1.4299263221194747
Energy: 1.6501314737297845
Energy: 1.9897979668469779
Energy: 2.1490933178320124
Energy: 1.965421655983267
Energy: 1.970594768420754
Energy: 1.6743167304395852
Energy: 1.9722218887456027
Energy: 1.9668345996219643
Energy: 1.380741353013335
Energy: 1.2858458095708851
Energy: 2.066351092782547
Energy: 1.94288154024512
Energy: 1.7402009801811171
Energy: 1.3265963961475393
Energy: 1.3405783823718442
Energy: 1.3014064590109948
Energy: 1.300429966795518
Energy: 1.8034612508785435
Energy: 1.3008416677833317
Energy: 1.334576378710461
Energy: 1.3368999138221138
Energy: 1.3345113388586138
Energy: 1.2851737469948656
Energy: 1.5564833578435677
Energy: 1.2854283547423444
Energy: 1.3391990377507255
Energy: 1.3347660978507352
Energy: 1.2853524633266098
Energy: 1.7129090838321
Energy: 2.1102264125167496
Energy: 1.3217089629156353
Energy: 1.3219290221890299
Energy: 1.9381469808435177
Energy: 1.9932574758566974
Energy: 2.072271769754337
Energy: 1.5394912264455167
Energy: 1.9662921084018286
Energy: 2.0053704771154788
Energy: 1.9418727046357354
Energy: 1.9893528227001447
Energy: 1.3872626321194077
Energy: 1.3992391340305206
Energy: 1.3503914004217323
Energy: 1.910888247309268
Energy: 1.7287705109069722
Energy: 1.3499258169396895
Energy: 1.4009522044174365
Energy: 1.404288337059832
Energy: 1.3691401214397518
Energy: 2.0739525802443626
Energy: 1.9768339582445806
Energy: 1.3624458288499948
Energy: 1.3610125152415837
Energy: 1.3793353632263463
Energy: 1.3615152590696025
Energy: 1.3467901963120446
Energy: 2.2245431214859654
Energy: 1.3623170052103943
Energy: 1.678019452890448
Energy: 1.6486954061882855
Energy: 1.6513750418243418
Energy: 1.7297679255905047
Energy: 1.762351571437584
Energy: 1.6824185462808028
Energy: 1.6764565570267698
Energy: 1.6955511504585437
Energy: 1.676776132585919
Energy: 1.6812646739442167
Energy: 1.7233265645000444
Energy: 1.750588419843328
Energy: 1.66356275779602
Energy: 1.670621945079131
Energy: 1.6793241921488193
Energy: 1.7042234863627663
Energy: 1.7326121414560816
Energy: 1.6865847969834662
Energy: 1.7369261868423576
Energy: 1.6994367694426908
Energy: 1.9770477801951842
Energy: 1.6939863248700475
Energy: 1.7123163569352784
Energy: 1.6975145178797237
Energy: 1.7806361673097466
Energy: 1.762640402018679
Energy: 1.7007551649297445
Energy: 1.7133736088302929
Energy: 1.6521743086761067
Energy: 1.6489106293583253
Energy: 2.1227291979980487
Energy: 2.6811648516549096
Energy: 2.0313526800504493
Energy: 1.6531791669088018
Energy: 1.3961633071162287
Energy: 1.3895735083846406
Energy: 1.3829482998447498
Energy: 1.7626719800226651
Energy: 1.3464935220851943
Energy: 1.3943985059383368
Energy: 1.3859681166647626
Energy: 1.3682736569247211
Energy: 1.6803255508991704
Energy: 1.704417483455369
Energy: 1.367180399513815
Energy: 1.3951949853652446
Energy: 1.3990759913046074
Energy: 1.362720893897501
Energy: 1.9951124821089588
Energy: 1.9605669961923404
Energy: 1.669877710476863
Energy: 1.3781623159263892
Energy: 1.4991646818905382
Energy: 1.9713059615884818
Energy: 1.9640851754944846
Energy: 1.722292472184705
Energy: 1.965761426783587
Energy: 2.064119730583348
Energy: 1.9657540026859128
Energy: 1.712588464699802
Energy: 1.2855184045932708
Energy: 1.326116403871242
Energy: 1.2858236706596968
Energy: 2.0663914656757334
Energy: 1.7772199942426565
Energy: 1.3007330011185858
Energy: 1.3218836609756217
Energy: 1.343253579649401
Energy: 1.3057961755906042
Energy: 1.3003711753370748
Energy: 1.842175545311647
Energy: 1.3003661875500947
Energy: 1.3334381635258072
Energy: 1.3375933761375616
Energy: 1.3214914082110953
Energy: 1.6689311195373897
Energy: 2.151103929502724
Energy: 1.741568681286261
Energy: 1.3186620356945287
Energy: 1.3343660671725586
Energy: 1.3183230426921355
Energy: 1.9901012646152423
Energy: 1.841611578099963
Energy: 2.0126986087175975
Energy: 1.9947124474330817
Energy: 1.7095509533817568
Energy: 1.9679522913648981
Energy: 2.0631396812777605
Energy: 1.3972084907417874
Energy: 1.3623057473232045
Energy: 1.9827200188438063
Energy: 1.9415939629590944
Energy: 1.7031350262781924
Energy: 1.3892887578459636
Energy: 1.4026914424809023
Energy: 1.3853583139681165
Energy: 1.3499901402445775
Energy: 1.7484863257398493
Energy: 1.34698280397995
Energy: 1.4039933384588767
Energy: 1.3832971645040437
Energy: 1.3612205829170392
Energy: 1.3630001530155995
Energy: 2.0245350352802656
Energy: 1.3628484684138273
Energy: 1.3737336737146038
Energy: 1.6612830593671772
Energy: 1.6591754049603753
Energy: 2.0965313989588763
Energy: 2.2031746566776618
Energy: 1.3610882870361094
Energy: 1.6528836671468277
Energy: 1.6844879249304048
Energy: 1.6764207170680832
Energy: 1.6574860715067612
Energy: 2.0937951179888645
Energy: 1.6563989183590677
Energy: 1.7063980914989219
Energy: 1.6591787003981975
Energy: 1.6701348819095154
Energy: 1.7470711545719675
Energy: 1.7237078437848818
Energy: 1.9842478809681703
Energy: 1.6669027501490128
Energy: 1.698112944584825
Energy: 1.9734993236053988
Energy: 1.7034688767687256
Energy: 1.7090688645902161
Energy: 1.7415298929014256
Energy: 1.6933326030208855
Energy: 1.477473182637083
Energy: 1.6780983780713754
Energy: 1.7131128843889925
Energy: 1.707402751475439
Energy: 1.708896240060925
Energy: 1.5691002252025592

minimum gb energy = 1.2851737469948656 eV
minimum distance =  2.25727421663991 Angstroms
sigma value = 81


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

Energy: 1.2720122426493679
Energy: 1.6908711816687154
Energy: 1.8975605861619553
Energy: 1.6140856795516756
Energy: 1.8987536401858767
Energy: 1.2734118063623465
Energy: 1.3395391235808196
Energy: 1.677636324050847
Energy: 1.6797458752114673
Energy: 1.3396482244043886
Energy: 1.669048803311546
Energy: 1.4921209057275546
Energy: 1.544541597759689
Energy: 1.749642466837905
Energy: 1.3398990781494096
Energy: 1.3399924943007528
Energy: 1.3406634075499617
Energy: 1.7490832103880516
Energy: 1.5511222107277185
Energy: 1.5447296601922726
Energy: 1.6756329868171078
Energy: 1.6750308020253402
Energy: 1.612574544002179
Energy: 1.5515000442647797
Energy: 1.5504673845546701
Energy: 1.5437286810201123
Energy: 1.612054100726654
Energy: 1.2731906077958777
Energy: 1.6127201019711126
Energy: 1.544520088417669
Energy: 1.6118309416558665
Energy: 1.6774964430115444
Energy: 1.273349106963465
Energy: 1.2746593902823513
Energy: 1.6148643316412663
Energy: 1.6127289898294945
Energy: 1.3404371562649777
Energy: 1.6766963487377617
Energy: 1.7073684528621882
Energy: 1.6125373733346207
Energy: 1.6763207880112005
Energy: 1.3395344797776185
Energy: 1.3401904894295686
Energy: 1.3611411175237236
Energy: 1.7473784493151585
Energy: 1.544609671593104
Energy: 1.6124972865445997
Energy: 1.3401793228453964
Energy: 1.6697592937824834
Energy: 1.897569227940247
Energy: 1.5626718706248692
Energy: 1.551122942999451
Energy: 1.4985553867159942
Energy: 1.6751075897776093
Energy: 1.2740810199495443
Energy: 1.6126563922573662
Energy: 1.546845511072374
Energy: 1.5424189525001615
Energy: 1.4856082301920324
Energy: 1.6129830884129603

minimum gb energy = 1.2720122426493679 eV
minimum distance =  2.34674000608915 Angstroms
sigma value = 3


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

Energy: 2.662950240185055
Energy: 2.1540199257512405
Energy: 1.7410844271024244
Energy: 1.7403467512039257
Energy: 1.7283984752417372
Energy: 2.174495818581227
Energy: 1.3234344322101905
Energy: 1.6035839092338533
Energy: 1.5875271059602931
Energy: 1.5762110117615626
Energy: 1.5938491336082152
Energy: 1.576005871702482
Energy: 1.6126691517190939
Energy: 1.5425043219508565
Energy: 1.5791835318501943
Energy: 1.5737977333884616
Energy: 1.6911724367499772
Energy: 1.686239436475613
Energy: 1.582088312077434
Energy: 1.5891032774953715
Energy: 1.7514492462747042
Energy: 1.6113791564764695
Energy: 1.566313683830163
Energy: 1.5875179168195162
Energy: 1.5470433615617836
Energy: 1.6034769705932828
Energy: 1.6031237842616337
Energy: 1.7340500078790302
Energy: 1.6209102150317598
Energy: 1.592909715065211
Energy: 1.7495551459811798
Energy: 1.7402103131433024
Energy: 2.242835080569864
Energy: 2.0850404358875307
Energy: 1.7343449136050832
Energy: 1.7520243469258978
Energy: 1.9132733767411227
Energy: 1.8886489029350086
Energy: 1.8523007205366369
Energy: 1.3488230748872703
Energy: 1.8553493340957186
Energy: 1.563420600287157
Energy: 1.9033895406804733
Energy: 1.8315401826038091
Energy: 1.3179429662948074
Energy: 1.3330244659051478
Energy: 1.3008855102068067
Energy: 1.98088488541277
Energy: 1.9781226855406515
Energy: 1.3020594809402186
Energy: 1.326768995690165
Energy: 1.3143903447595608
Energy: 1.3319058935613288
Energy: 2.1429823531681143
Energy: 2.087690764981025
Energy: 1.304762369307915
Energy: 1.3335142469981829
Energy: 1.3389162861185089
Energy: 1.318712630048517
Energy: 1.7268410802170147
Energy: 2.2012833826263947
Energy: 2.161149891676562
Energy: 1.333782711682634
Energy: 1.3391873838866237
Energy: 2.180217401575393
Energy: 2.0543348079321166
Energy: 1.589622355941187
Energy: 1.755163469713271
Energy: 2.1289927199707175
Energy: 2.262384434370251
Energy: 2.120840410348789
Energy: 1.4597557938087087
Energy: 1.4184775611783746
Energy: 1.3845775885069915
Energy: 1.412959929765438
Energy: 2.259071406449209
Energy: 1.4258538893129402
Energy: 1.38318164519936
Energy: 1.4032793182387544
Energy: 1.3877695995139379
Energy: 1.539204040684703
Energy: 1.9697461156273375
Energy: 1.3852324277880257
Energy: 1.3851249859812262
Energy: 1.4054749536386844
Energy: 1.481062654252535
Energy: 1.5508538763874187
Energy: 2.0606467335792296
Energy: 1.535878939496821
Energy: 1.3965354915175916
Energy: 1.4595384711738508
Energy: 1.581743898360516
Energy: 1.92860107406726
Energy: 2.0549837535318867
Energy: 1.9443134370688004
Energy: 1.4064899678045102
Energy: 2.2180611830431616
Energy: 1.9482568811647434
Energy: 1.6701991624346297
Energy: 1.6225129549541637
Energy: 1.344496996192549
Energy: 2.096867230360988
Energy: 2.218322287418627
Energy: 1.5394685652587532
Energy: 1.327121751318779
Energy: 1.6214044584922986
Energy: 1.3422058870531905
Energy: 2.0024622285494567
Energy: 1.696446677914227
Energy: 1.578649516790158
Energy: 1.5684759341277072
Energy: 1.5812792832963098
Energy: 1.5573435607021544
Energy: 1.620739146027762
Energy: 1.6362478329821275
Energy: 1.701064846760855
Energy: 1.3417099812529978
Energy: 1.5799825550562587
Energy: 1.5741831730641818
Energy: 1.6999481143978554
Energy: 1.6171520820166847
Energy: 1.67124977137768
Energy: 1.6080658652958455
Energy: 1.5930200403851722
Energy: 1.6719850504955984
Energy: 1.6536040491230124
Energy: 1.8503576594928435
Energy: 1.6273469324477066
Energy: 2.254638116149214
Energy: 1.8111795109110458
Energy: 1.629967396669202
Energy: 1.7620546799297938
Energy: 1.9285640487053
Energy: 1.9051387141436953
Energy: 1.9237304491794358
Energy: 1.7807982170252
Energy: 1.9643388998402997
Energy: 1.9523215675834489
Energy: 1.96098431293249
Energy: 1.977622467219073
Energy: 1.3241014450751407
Energy: 1.3390586475114963
Energy: 1.3235492407509368
Energy: 1.9053643424225966
Energy: 1.9832251469637725
Energy: 1.3273473647572136
Energy: 1.3227071566762
Energy: 1.3307980951881062
Energy: 1.3060297460574082
Energy: 2.0643186379762457
Energy: 1.7152115503913652
Energy: 1.327092990895285
Energy: 1.3371433814118932
Energy: 1.3153014130423095
Energy: 1.340249984879439
Energy: 2.1209677112642185
Energy: 2.3281797457033195
Energy: 1.4946485623040568
Energy: 1.317043373515667
Energy: 1.3385489978145175
Energy: 1.317632100421272
Energy: 2.0668727183479048
Energy: 2.1762250504780445
Energy: 1.9739705769852411
Energy: 2.224088058982623
Energy: 2.2123589434847903
Energy: 2.117018960778005
Energy: 1.936957032639679
Energy: 1.3325287738528815
Energy: 1.3116664295458982
Energy: 2.13700116323918
Energy: 2.0748641197895297
Energy: 1.3115256115946303
Energy: 1.3188567626406116
Energy: 1.3075377890854063
Energy: 1.295632445354854
Energy: 1.305434404534828
Energy: 2.095002893927305
Energy: 1.2894960600528877
Energy: 1.3101532541246133
Energy: 1.3198542986941493
Energy: 1.2874188145965255
Energy: 1.7204418387788531
Energy: 2.017405575352583
Energy: 1.328496563585242
Energy: 1.315216542923995
Energy: 1.3628434535514413
Energy: 1.3027959601469465
Energy: 1.9752123492923654
Energy: 1.989529037295816
Energy: 1.6917862480551522
Energy: 1.3422835842975864
Energy: 1.3176454265247233
Energy: 1.9534227040639556
Energy: 2.0552479151164587
Energy: 2.0120700504607947
Energy: 1.5869500399638605
Energy: 1.8297480460461908

minimum gb energy = 1.2874188145965255 eV
minimum distance =  2.23303186875542 Angstroms
sigma value = 67


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

Energy: 2.1463535841603814
Energy: 2.1618495995069873
Energy: 1.6862406832474321
Energy: 1.693747452855819
Energy: 1.6867298625775373
Energy: 2.2286494427895938
Energy: 1.7812094858421104
Energy: 1.6311121565742859
Energy: 1.6101614834853104
Energy: 1.5767255109450462
Energy: 1.6334125886932076
Energy: 1.6070569503856502
Energy: 1.6881895019613669
Energy: 1.7569707782332225
Energy: 1.6126364257144887
Energy: 1.591606665092872
Energy: 1.5161971214456755
Energy: 1.7294244073803593
Energy: 1.6186853777695627
Energy: 1.6460022665599554
Energy: 1.6979578314136439
Energy: 1.6432058284202427
Energy: 1.3819741868359061
Energy: 1.6490411219051335
Energy: 1.5903145937012257
Energy: 1.6261753958913694
Energy: 1.6382399573332733
Energy: 1.4129778685706333
Energy: 1.6225269470282948
Energy: 1.60870401680628
Energy: 1.7432653572852517
Energy: 1.7396674148803153
Energy: 2.224713420453795
Energy: 2.161237077851853
Energy: 2.1361117208842693
Energy: 1.7392640081223472
Energy: 2.022297192507059
Energy: 1.9750799970255073
Energy: 1.4308072279340012
Energy: 1.588279833479942
Energy: 2.029257422818252
Energy: 1.610651172009328
Energy: 2.019970492414652
Energy: 1.4168782317160273
Energy: 1.398640032546339
Energy: 1.3806471361507828
Energy: 1.3983953550469213
Energy: 2.0139002035341202
Energy: 1.9128493686291208
Energy: 1.956958799961595
Energy: 1.4039489552765678
Energy: 1.3977119819223713
Energy: 1.403344079077407
Energy: 2.007312956805568
Energy: 2.0378686632411482
Energy: 1.554842360887712
Energy: 1.4406489111185414
Energy: 1.4255832739395242
Energy: 1.4462852865427975
Energy: 1.3096059450175719
Energy: 2.1720972038523447
Energy: 2.0241958117817824
Energy: 1.5333745843335211
Energy: 1.4510147858593174
Energy: 1.5837694974330394
Energy: 2.0170915327260484
Energy: 1.5873906599182528
Energy: 1.7380913351258396
Energy: 2.0225088879748268
Energy: 2.138663596746292
Energy: 2.0365272909461667
Energy: 1.6468688847269928
Energy: 1.5803983699116126
Energy: 1.2535545317215517
Energy: 1.555169519582148
Energy: 2.109266700230173
Energy: 1.5732110998950015
Energy: 1.608933324931228
Energy: 1.6062428201788677
Energy: 1.5590364463842377
Energy: 1.9280864533054354
Energy: 1.7896433841648975
Energy: 1.5530768830456214
Energy: 1.5455987500309656
Energy: 1.5746942893202007
Energy: 1.5513658074983327
Energy: 1.8519157457611126
Energy: 1.744923413477163
Energy: 1.5349311110034296
Energy: 1.2532439460312896
Energy: 1.5750364320116432
Energy: 1.4676081583058236
Energy: 1.7479636942676233
Energy: 1.7346908638651994
Energy: 1.7637934544070384
Energy: 1.593418402227199
Energy: 2.2503491072335153
Energy: 1.7980119267859846
Energy: 1.7481325782467259
Energy: 1.8294323939085946
Energy: 1.752106651808139
Energy: 2.172794992377622
Energy: 2.266802597334363
Energy: 1.9830827820743016
Energy: 1.9424359266703344
Energy: 1.9206333359423033
Energy: 1.9945323938622113
Energy: 1.71552765340077
Energy: 1.3030153488259284
Energy: 1.308678634959746
Energy: 2.061879868501726
Energy: 2.1244629994536974
Energy: 2.1209764059415823
Energy: 1.3469511824376583
Energy: 1.2934848617046535
Energy: 1.2962842870010256
Energy: 1.2967117427887234
Energy: 2.0941903021279216
Energy: 1.2839434294958958
Energy: 1.2979472083445334
Energy: 1.325714129152543
Energy: 1.317240493213642
Energy: 1.689687603849534
Energy: 2.0091949828340754
Energy: 1.3036894352724229
Energy: 1.3158522578959577
Energy: 1.3371188646667986
Energy: 1.3177959615256853
Energy: 1.682595384549819
Energy: 2.221366275722281
Energy: 1.594071435316186
Energy: 1.2987230346337997
Energy: 2.0233687315243287
Energy: 1.679593700904826
Energy: 1.6039225523996066
Energy: 2.1773800231541323
Energy: 2.142239653091178
Energy: 1.7880122574190316

minimum gb energy = 1.2532439460312896 eV
minimum distance =  2.28339831449125 Angstroms
sigma value = 33


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

Energy: 2.60182895945347
Energy: 2.0551005986388535
Energy: 1.7890062107848153
Energy: 1.807778430767173
Energy: 1.789725658686105
Energy: 2.2175376214098566
Energy: 1.3851313730123445
Energy: 1.707222240589852
Energy: 1.7883003170837364
Energy: 1.7177187225844397
Energy: 1.7936759931644737
Energy: 1.4957938182062245
Energy: 1.3886839246590206
Energy: 1.4508428076117883
Energy: 1.7936725858136056
Energy: 1.5623446793003959
Energy: 1.4596018722225554
Energy: 1.4699577499961416
Energy: 1.3587915950868288
Energy: 1.3781561699462177
Energy: 1.5130785075794917
Energy: 1.7848004885972917
Energy: 1.4854507667252794
Energy: 1.3750509595252263
Energy: 1.3691439798933636
Energy: 1.3741357273475014
Energy: 1.3848976642817443
Energy: 1.7321109615554335
Energy: 1.381930020793319
Energy: 1.3718278639773538
Energy: 1.4176758090549888
Energy: 1.3945658703822184
Energy: 1.4117481032969432
Energy: 2.278467133936474
Energy: 1.409712390467862
Energy: 1.412799125918836
Energy: 2.221806144405568
Energy: 2.06364434960858
Energy: 1.45919703024084
Energy: 1.658550417297148
Energy: 1.939668572746713
Energy: 1.5394791680746862
Energy: 2.221475377257741
Energy: 1.4803763831020926
Energy: 1.4162466256688113
Energy: 1.408562178872126
Energy: 1.4023278111664423
Energy: 1.9058917231638253
Energy: 1.7771097918171868
Energy: 1.3752896636689136
Energy: 1.4046528460885022
Energy: 1.3805706769382722
Energy: 1.4026828104053486
Energy: 1.9191170623054188
Energy: 1.759459772573075
Energy: 1.468300060022585
Energy: 1.4370722003691325
Energy: 1.383396463178225
Energy: 1.465349777411062
Energy: 1.4463727468882146
Energy: 1.756652563238903
Energy: 1.8098352256745973
Energy: 1.4621780219445406
Energy: 1.4325695983449898
Energy: 1.4910202278398084
Energy: 1.7949162690352194
Energy: 1.7682356365464802
Energy: 1.75729300931494
Energy: 1.8312858659040112
Energy: 1.9098214073736848
Energy: 1.8166923924171567
Energy: 1.7590042654300202
Energy: 1.8664935912400833
Energy: 1.7639991806700845
Energy: 2.0242657674637394
Energy: 1.911059836873949
Energy: 1.9799803697429526
Energy: 1.760578461577699
Energy: 1.9578755069770593
Energy: 1.68547751983889
Energy: 1.2081456785393516
Energy: 1.2497724740265517
Energy: 1.1974033105305943
Energy: 1.9790079578675348
Energy: 1.9094172491783608
Energy: 1.2006647562468755
Energy: 1.2346496217334693
Energy: 1.194503611736592
Energy: 1.1971228531812108
Energy: 1.934479353204863
Energy: 2.0026280176126163
Energy: 1.2013702072619
Energy: 1.1903717502145892
Energy: 1.1959495082454932
Energy: 1.202290138099849
Energy: 2.1174859698766713
Energy: 1.752596566291045
Energy: 1.2021199395515496
Energy: 1.2146422299568223
Energy: 1.2027119090616316
Energy: 1.197817435040934
Energy: 1.9845883578282664
Energy: 2.1062354066679942
Energy: 1.7897271113809543
Energy: 1.6612145115425647
Energy: 1.2180481235183898
Energy: 2.100113376528983
Energy: 1.8318645296354525
Energy: 1.8085734758716017
Energy: 1.78962795703743
Energy: 1.8731352010545606
Energy: 2.589948346926246
Energy: 1.7717924747397127
Energy: 1.8076522654813287
Energy: 1.7033541986342025
Energy: 1.7889886661912495
Energy: 1.8436588214690959
Energy: 1.5724877919582354
Energy: 1.7141853047428282
Energy: 1.7490013209671649
Energy: 1.542551770282462
Energy: 1.7857549678763034
Energy: 1.4621909575767478
Energy: 1.4163527740024375
Energy: 1.5370014441402429
Energy: 1.7768900132851382
Energy: 1.7874980788428079
Energy: 1.5152267444888792
Energy: 1.3676736525870332
Energy: 1.3612519983687308
Energy: 1.4207287290207133
Energy: 1.9189605626760604
Energy: 1.7789173293588203
Energy: 1.382699280953498
Energy: 1.3719404860682076
Energy: 1.3861629304624905
Energy: 1.3834688039633847
Energy: 1.3784878067883726
Energy: 2.268828434435307
Energy: 1.6813022614345587
Energy: 1.4139640287913329
Energy: 1.4180741222190774
Energy: 1.3919166738624786
Energy: 2.0996007739677407
Energy: 1.5867754927394455
Energy: 1.9306636423089576
Energy: 1.3751717523912956
Energy: 2.1185017860239013
Energy: 1.9553848295540022
Energy: 1.947855325417039
Energy: 1.4088280590335112
Energy: 1.4108820433995635
Energy: 1.5771504203237263
Energy: 1.9567789798164408
Energy: 1.4025755382741323
Energy: 1.3947251598140038
Energy: 1.3878856984417387
Energy: 1.410953280899578
Energy: 1.3757429810403734
Energy: 1.849125390770012
Energy: 1.3815197672035298
Energy: 1.3986041523399557
Energy: 1.371641933224133
Energy: 1.4095023874317278
Energy: 1.5021625734296649
Energy: 1.7528469663192128
Energy: 1.517964933639831
Energy: 1.4326455180364657
Energy: 1.4533326068347536
Energy: 1.4916432246894378
Energy: 1.8065510631146855
Energy: 1.7611556755372277
Energy: 1.8086129976104808
Energy: 1.460245942517332
Energy: 1.9099007331033508
Energy: 1.8705347156242234
Energy: 1.756396641003668
Energy: 1.7372382704022542
Energy: 1.7563240322920557
Energy: 1.4653564501332543
Energy: 1.910129237340524
Energy: 1.9987807046671886
Energy: 1.7679190139011873
Energy: 1.803269807143251
Energy: 2.031768250118778
Energy: 2.1640522263052415
Energy: 1.2490111433884212
Energy: 1.2356077698344134
Energy: 1.783107014082045
Energy: 1.9567519763333896
Energy: 1.6660775918983484
Energy: 1.2078892973733806
Energy: 1.1950697912271113
Energy: 1.1988951530003482
Energy: 1.204450601622695
Energy: 1.9109402695666522
Energy: 1.188159075397271
Energy: 1.2026074696147753
Energy: 1.2227183823845411
Energy: 1.2008900966091554
Energy: 2.0795907846103785
Energy: 2.0689250432151063
Energy: 1.195488365669523
Energy: 1.189041451078142
Energy: 1.1999378261846405
Energy: 1.2081808946158064
Energy: 1.2069636657873783
Energy: 2.09352182472011
Energy: 1.2024915179559539
Energy: 1.2075672389520837
Energy: 1.2201367103070566
Energy: 1.656792155030969
Energy: 2.129021247066381
Energy: 2.0930116143732307
Energy: 2.137433942854857
Energy: 1.236393243351238
Energy: 2.219846897455175
Energy: 1.8816468243615647
Energy: 1.7554721196822478
Energy: 1.8084158705259588
Energy: 1.7777507950383726
Energy: 1.7570315424986496

minimum gb energy = 1.188159075397271 eV
minimum distance =  2.26587411335501 Angstroms
sigma value = 41


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

Energy: 1.9645406304051858
Energy: 1.3826311582976714
Energy: 1.3848744164537325
Energy: 1.3849753287883602
Energy: 1.397770439063373
Energy: 2.070441354546998
Energy: 1.451414960691335
Energy: 1.0595623492839805
Energy: 1.5039940806835639
Energy: 1.449917216530745
Energy: 1.0594892389979143
Energy: 1.4904659262724862
Energy: 1.448788188809008
Energy: 1.0587465378214833
Energy: 1.0648895424487779
Energy: 0.9798814914916737
Energy: 1.059895545023302
Energy: 1.493971048037138
Energy: 1.4802936676018048
Energy: 1.07369441539549
Energy: 1.0730550546426962
Energy: 1.4853099215424586
Energy: 1.0771877500878893
Energy: 1.5426956691931273
Energy: 1.3663416712469982
Energy: 1.5102764249701657
Energy: 1.5378699684106636
Energy: 1.4698968255634652
Energy: 1.5094097722368212
Energy: 1.3705699594633116
Energy: 1.384725390300195
Energy: 1.3923612493646773
Energy: 1.363730393116077
Energy: 1.4746804743072093
Energy: 1.3835328842591434
Energy: 1.3836544091782883
Energy: 1.9031837667428104
Energy: 1.504594454756507
Energy: 2.0456228272908854
Energy: 1.4682455054488177
Energy: 1.5373662182620245
Energy: 1.5369148410545281
Energy: 1.9025009864100908
Energy: 1.0638087838634398
Energy: 1.352629277549482
Energy: 1.3657647608594594
Energy: 1.4905995817094333
Energy: 2.0328672946641446
Energy: 1.463597502635399
Energy: 1.498043568297713
Energy: 1.0609724790239756
Energy: 0.978707868962627
Energy: 1.0635526145617564
Energy: 1.498961392570031
Energy: 1.4494367421502736
Energy: 1.0668766972192196
Energy: 1.063527135886449
Energy: 1.4635999092531364
Energy: 1.0644119948629247
Energy: 1.0562884953921907
Energy: 1.4504422705699225
Energy: 1.5378094520422685
Energy: 1.0774609801580144
Energy: 1.4854163976476658
Energy: 1.0789229586689977
Energy: 1.5074330345330207
Energy: 1.3921263625765026
Energy: 1.3692179161707685
Energy: 1.501255905235199
Energy: 1.5158695567537128
Energy: 1.5089524189600243
Energy: 1.3825525949682866
Energy: 1.3561049986046625
Energy: 1.3686626850273487
Energy: 1.5096925913045804
Energy: 1.4677924535264186
Energy: 1.5033413448942436
Energy: 1.3575380036631521
Energy: 1.9681116064720392
Energy: 1.5371882301059636
Energy: 1.3581706663422477
Energy: 1.3546988001914169
Energy: 1.3557193430649457
Energy: 2.073569569990759

minimum gb energy = 0.978707868962627 eV
minimum distance =  2.23017660017842 Angstroms
sigma value = 11


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

Energy: 2.2523486088214097
Energy: 1.760411760399951
Energy: 1.7406712766715642
Energy: 1.7374188241387936
Energy: 1.740475569855929
Energy: 2.2231966333516744
Energy: 1.3389784125275777
Energy: 1.6829241988370138
Energy: 1.6578800011866472
Energy: 1.6575475752427216
Energy: 2.0578195279991616
Energy: 1.963216268434
Energy: 1.3374131693596203
Energy: 1.3172504570876031
Energy: 1.6215287375217158
Energy: 1.7398968195103428
Energy: 1.593783655210202
Energy: 1.3249405583144795
Energy: 1.2935594888629796
Energy: 1.3150258762756053
Energy: 1.5689170735825957
Energy: 1.6348733161980993
Energy: 1.3146398701003206
Energy: 1.329392883235676
Energy: 1.3353786457939627
Energy: 1.3646948062230675
Energy: 1.584480512846063
Energy: 1.7202473638257632
Energy: 1.3177047006868816
Energy: 1.344605807756702
Energy: 1.3297612898266866
Energy: 1.3652802678724487
Energy: 2.0094923852957454
Energy: 1.720207121320674
Energy: 1.624944948076795
Energy: 1.3314162153424691
Energy: 1.6848275314669081
Energy: 1.9387673224889237
Energy: 1.6584266302264963
Energy: 1.7076622099468373
Energy: 1.7699435181959895
Energy: 1.7504900214659997
Energy: 1.721463394144289
Energy: 1.9663573891355115
Energy: 1.7197311228403336
Energy: 1.716478500400092
Energy: 1.7637895290587202
Energy: 1.805467553289667
Energy: 1.4222485853594065
Energy: 1.4353061456987104
Energy: 1.9448284331724095
Energy: 1.8305941303466098
Energy: 2.0432836376896777
Energy: 1.3379116958733368
Energy: 1.4719291675672141
Energy: 1.4030914481960741
Energy: 1.5734162001961332
Energy: 1.8298986932799979
Energy: 1.6615323767150567
Energy: 1.4283620910886043
Energy: 1.4615896167275504
Energy: 1.545381975308817
Energy: 1.4615607154133023
Energy: 1.46686764910464
Energy: 1.6112428720853695
Energy: 1.5442902385485384
Energy: 1.461817925827676
Energy: 1.566766083210541
Energy: 1.5651571883109636
Energy: 1.478112206473917
Energy: 1.700605703890666
Energy: 1.5333958150498597
Energy: 1.4733600614809805
Energy: 1.662784511830491
Energy: 1.5631461988619417
Energy: 1.4350749937797997
Energy: 1.5510234609235867
Energy: 1.4855465269636243
Energy: 1.7189532886436647
Energy: 1.4502841126567796
Energy: 1.4414946434218323
Energy: 1.4435835922388864
Energy: 1.4471643473832283
Energy: 1.757569647681261
Energy: 1.688885594626703
Energy: 1.9750050773594114
Energy: 1.868867173063894
Energy: 1.4410392865630817
Energy: 1.4365189664930398
Energy: 1.6925116910481228
Energy: 1.7712393045422103
Energy: 1.740676102133673
Energy: 1.8771145228949968
Energy: 2.2428618230820336
Energy: 1.8088228523160095
Energy: 1.7530835560337221
Energy: 1.6574974956337098
Energy: 1.7697798621149292
Energy: 2.000803262211157
Energy: 1.41495838236781
Energy: 1.6856978956830204
Energy: 1.658505504953641
Energy: 1.7530117422064622
Energy: 2.0615386258480672
Energy: 1.330702595312987
Energy: 1.3441324636135736
Energy: 1.5803519282794016
Energy: 1.779191930530713
Energy: 1.7492718998865866
Energy: 1.4915758389723897
Energy: 1.315223209086283
Energy: 1.2870734548172464
Energy: 1.3609670436922057
Energy: 1.7043894204230483
Energy: 1.720403138348915
Energy: 1.3616443970046197
Energy: 1.3649093648226347
Energy: 1.3374656727486711
Energy: 1.3606409480507957
Energy: 1.8354520606064966
Energy: 1.854795757219013
Energy: 1.9953259148044566
Energy: 1.33041666809971
Energy: 1.3422889660702104
Energy: 1.3545436880886665
Energy: 2.0044244728642573
Energy: 1.7227212137257308
Energy: 1.6580293686957632
Energy: 1.9455081660015587
Energy: 1.6847110107392582
Energy: 2.002232927158835
Energy: 1.6572643134587794
Energy: 1.7053998238981525
Energy: 1.7634599414395504
Energy: 1.8897303936554695
Energy: 1.687304083879647
Energy: 1.7629172511069848
Energy: 1.7591512544844798
Energy: 1.8297977805016217
Energy: 1.955515643015586
Energy: 1.5734005949407746
Energy: 1.4357452241075124
Energy: 2.0485828151265215
Energy: 1.9654305969445391
Energy: 2.1106952417140104
Energy: 1.6611357016057027
Energy: 1.4259939571369888
Energy: 1.4610905080868817
Energy: 1.4412635231580881
Energy: 1.7094372978909902
Energy: 1.458058751487768
Energy: 1.6104862619007334
Energy: 1.5453958354394008
Energy: 1.4637650939843498
Energy: 1.5860510717631047
Energy: 1.587263801351324
Energy: 1.435291250007449
Energy: 1.7019828832527943
Energy: 1.5414685147073208
Energy: 1.460918278257508
Energy: 1.6049335471123078
Energy: 1.5499672305412184
Energy: 1.4339125530034913
Energy: 1.5902646490148737
Energy: 1.6555510733000551
Energy: 1.4577740074433103
Energy: 1.7171982651718998
Energy: 1.4885043899758528
Energy: 1.460842034459551
Energy: 1.4422906352167495
Energy: 1.4149820020078516
Energy: 1.7165456513606303
Energy: 1.450160905568203
Energy: 1.4413433676359073
Energy: 1.4405556528120476
Energy: 1.8956959242850517
Energy: 1.9615814894485966
Energy: 1.5893442715950614
Energy: 1.6826662773659173
Energy: 1.5675461816390206
Energy: 2.256692963544972
Energy: 2.081464857667739
Energy: 1.7068854231591974
Energy: 1.722066159298466
Energy: 1.716845277442548
Energy: 2.1431144588708704

minimum gb energy = 1.2870734548172464 eV
minimum distance =  2.28408341053774 Angstroms
sigma value = 57


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

Energy: 2.349177936218206
Energy: 1.7096950505208703
Energy: 1.7068995469969854
Energy: 1.5699382553245482
Energy: 1.706319659973416
Energy: 2.1779272685273936
Energy: 1.8386531872109273
Energy: 1.6220851494265995
Energy: 1.657770172186556
Energy: 1.6563164802962702
Energy: 1.6594357972088947
Energy: 1.6368747309808502
Energy: 1.3532156383113705
Energy: 1.5857214424379402
Energy: 1.562753390676778
Energy: 1.494529614565197
Energy: 1.4988134452222754
Energy: 1.409842967810863
Energy: 1.4141772250598155
Energy: 1.437139447029651
Energy: 1.8184252190190924
Energy: 1.3484181852923647
Energy: 1.6731096388342817
Energy: 1.4003581334951127
Energy: 1.4433720228986797
Energy: 1.5098986131389553
Energy: 1.7225703426987757
Energy: 1.3478433334991236
Energy: 1.6060717259940573
Energy: 1.4958031641262082
Energy: 1.3911036568597515
Energy: 1.515784054901864
Energy: 1.8876921791132522
Energy: 1.8928204581565442
Energy: 1.5395381327282864
Energy: 1.6483508476278206
Energy: 1.6852217308060893
Energy: 1.8300086940698868
Energy: 1.5683353439318473
Energy: 1.5612697518623442
Energy: 1.5193429700710674
Energy: 2.0205967082795775
Energy: 1.8015375521284018
Energy: 1.6545515634043113
Energy: 1.6625999465641765
Energy: 1.6197743766840087
Energy: 1.6611279600728133
Energy: 2.0169381872796284
Energy: 1.5716811237061754
Energy: 1.6354320359811532
Energy: 1.8706365769526725
Energy: 1.9733812883937103
Energy: 1.9076615976291738
Energy: 1.3929882158026803
Energy: 1.5992704774956426
Energy: 1.6229503722855918
Energy: 1.8715485973037342
Energy: 1.9605684299963884
Energy: 1.5681055246525475
Energy: 1.386654991544027
Energy: 1.4826965818536835
Energy: 1.50089184257173
Energy: 1.6352773932419782
Energy: 1.4341610041866526
Energy: 1.6662564679546397
Energy: 1.6588310632115182
Energy: 1.449455666333874
Energy: 1.7794867012471365
Energy: 1.4357116437551627
Energy: 1.4081692469744882
Energy: 1.5697593740353215
Energy: 1.659080942364934
Energy: 1.3864139196686724
Energy: 1.6726828329429246
Energy: 1.510420854710457
Energy: 1.4112111128551168
Energy: 1.5508716065620076
Energy: 1.8097114356536579
Energy: 1.6555707186120745
Energy: 1.53880795077462
Energy: 1.495577936658477
Energy: 1.3917306057676893
Energy: 1.5860377499747056
Energy: 1.5693892126375746
Energy: 1.5611433465849864
Energy: 1.7555786420343242
Energy: 1.662274723140732
Energy: 1.3913556821611535
Energy: 1.637018718175932
Energy: 1.7545505861870072
Energy: 1.6154411107257614
Energy: 1.688149693358604
Energy: 1.7740678924005906
Energy: 1.8968349243024218
Energy: 1.6495863453749686
Energy: 1.688304232511858
Energy: 1.591818850456085
Energy: 1.522611077034422
Energy: 1.6577976849916554
Energy: 1.7266882462509823
Energy: 1.6594702356196456
Energy: 1.557634371625221

minimum gb energy = 1.3478433334991236 eV
minimum distance =  2.27442057788956 Angstroms
sigma value = 9


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

Energy: 2.556095424476131
Energy: 1.6953771806684128
Energy: 1.7226057221511872
Energy: 1.6604356562428542
Energy: 1.6927651153467174
Energy: 1.5626071680680438
Energy: 1.6116207891483394
Energy: 1.7208018075023366
Energy: 1.7206864735556466
Energy: 1.6936899960133454
Energy: 1.720863900317448
Energy: 1.7197060678694096
Energy: 1.5992337706229693
Energy: 1.6305074120247107
Energy: 1.6307440261576396
Energy: 1.67818087882728
Energy: 1.6515365949136955
Energy: 1.673022335709712
Energy: 1.481576714008657
Energy: 1.5918710415512611
Energy: 1.8073524811669779
Energy: 1.4805740808239336
Energy: 1.71572250765644
Energy: 1.4916922306817035
Energy: 1.567320946066085
Energy: 1.644058837717841
Energy: 1.7601123008766608
Energy: 1.5332746142455214
Energy: 1.6458981942774407
Energy: 1.5692210245796134
Energy: 1.5955438470340886
Energy: 1.8186220795624
Energy: 1.6228013333494264
Energy: 1.5638531262281536
Energy: 1.604772775888422
Energy: 1.813748487112214
Energy: 1.7532212077805487
Energy: 1.6497339373896127
Energy: 1.5814933783737812
Energy: 1.5001320602651202
Energy: 1.582496773516916
Energy: 1.8425926965300248
Energy: 1.5887399933754192
Energy: 1.9709996970335952
Energy: 1.6637031811968865
Energy: 1.5064748441857645
Energy: 1.5715192687714394
Energy: 1.6482223532687565
Energy: 1.6819641103465937
Energy: 1.6941366767132813
Energy: 1.6270608046421686
Energy: 1.7219388943333087
Energy: 1.695598306836435
Energy: 1.694679116744514
Energy: 1.6818718510497002
Energy: 1.803792384320519
Energy: 1.629926710970877
Energy: 1.8137591823939803
Energy: 1.629722339812574
Energy: 1.8046338685192385
Energy: 2.0431644785529643
Energy: 1.9733397026625958
Energy: 1.687571702978627
Energy: 1.6841173824643252
Energy: 1.6360278009757747
Energy: 1.9530827287744832
Energy: 1.922797150087491
Energy: 1.628546305557012
Energy: 1.6748892090152039
Energy: 1.67360936717666
Energy: 1.6118500261330007
Energy: 1.8583731467272526
Energy: 1.5992722027969064
Energy: 1.8503576790303915
Energy: 1.627837137622874
Energy: 1.6652307977966114
Energy: 1.611660225879708
Energy: 1.6772002894908147
Energy: 1.481498978439241
Energy: 1.5701722461957637
Energy: 1.7158935004146068
Energy: 1.5792925529320854
Energy: 1.650310275657235
Energy: 1.4592515468963325
Energy: 1.5560743985637977
Energy: 1.60572672503225
Energy: 1.7759233168227222
Energy: 1.4742816362398132
Energy: 1.7650434685677736
Energy: 1.5857624283646443
Energy: 1.5750891208396152
Energy: 1.7279071950309037
Energy: 1.6090407905259814
Energy: 1.5655487608658756
Energy: 1.6533074236864795
Energy: 1.7804840223176075
Energy: 1.5631570023009054
Energy: 1.7390457027838289
Energy: 1.5849260880697578
Energy: 1.510453335251832
Energy: 1.5815961654435269
Energy: 1.640670780908193
Energy: 2.0795534998487955
Energy: 1.6276847169123392
Energy: 1.5686034411391678
Energy: 1.51278307277462
Energy: 1.6549490012957766
Energy: 2.0093418544012724
Energy: 1.6301425588565759
Energy: 1.7314680315018545
Energy: 1.7207371264385165
Energy: 1.6796396040996984
Energy: 1.6125673008886332
Energy: 1.630217685612322
Energy: 1.6819166251258073
Energy: 1.6954811967492185
Energy: 1.6937988937458706
Energy: 1.965321618970328
Energy: 1.6790529166130077
Energy: 1.6952855293258253
Energy: 1.9301273244398336
Energy: 1.7299758939698453
Energy: 1.8219386883613047
Energy: 1.6841473218311989
Energy: 1.6121910530256989
Energy: 1.6477018099848943

minimum gb energy = 1.4592515468963325 eV
minimum distance =  2.27912619868792 Angstroms
sigma value = 27


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

Energy: 1.7951798077160235
Energy: 1.7374689595438906
Energy: 1.7377938382962308
Energy: 1.626859673406228
Energy: 1.7379601889999972
Energy: 1.6634759507139887
Energy: 1.446868782030542
Energy: 1.7109351050793928
Energy: 1.7022618291817007
Energy: 1.7158155864786877
Energy: 1.7025122728606048
Energy: 1.7545636132305567
Energy: 1.5334332187643311
Energy: 1.6667451464984868
Energy: 1.7381039186038785
Energy: 1.6999227169141093
Energy: 1.660050755841222
Energy: 1.5312276028200067
Energy: 1.5240373500271756
Energy: 1.578915075694798
Energy: 1.7212042680231627
Energy: 1.5139168066683575
Energy: 1.7519518837179693
Energy: 1.577526316910316
Energy: 1.646861446530853
Energy: 1.6760991389220534
Energy: 1.6940151565530803
Energy: 1.4788080848751528
Energy: 1.6706716925921568
Energy: 1.6762875975750517
Energy: 1.5433757007522642
Energy: 1.7434663770719876
Energy: 1.5507545472344917
Energy: 1.4827144697676207
Energy: 1.7210488047360033
Energy: 1.7178237358161679
Energy: 1.5542804793610117
Energy: 1.6729006487812583
Energy: 1.5965611038859988
Energy: 1.5243627293395425
Energy: 1.6752388242704188
Energy: 1.6921997471083134
Energy: 1.5540570775324438
Energy: 1.6729207294359074
Energy: 1.5928456043832862
Energy: 1.470702288069811
Energy: 1.7314226878291648
Energy: 1.5416330606443684
Energy: 1.5451518439573964
Energy: 1.611786281364464
Energy: 1.696470461000637
Energy: 1.5578024014405312
Energy: 1.6948358906803895
Energy: 1.589021136239389
Energy: 1.44697885165976
Energy: 1.5965446093950433
Energy: 1.6962802703289885
Energy: 1.76005724757562
Energy: 1.7103700936550397
Energy: 1.6252871834834173
Energy: 1.8017678207346506
Energy: 1.7031754686284228
Energy: 1.6827346712205034
Energy: 1.6230995272003674
Energy: 1.737197501060631
Energy: 1.7011402894584784
Energy: 1.8458795544804203
Energy: 1.7106795172961007
Energy: 1.6683192418941777
Energy: 1.6270992000856495
Energy: 1.5908324023407538
Energy: 1.7017162620689434
Energy: 1.620438041668712
Energy: 1.6264410444433
Energy: 1.6297734316610302
Energy: 1.603594846600469
Energy: 1.6906314722984779
Energy: 1.6213234676087804
Energy: 1.7189468864600963
Energy: 1.7401774435566422
Energy: 1.692907581884832
Energy: 1.6845204539089114
Energy: 1.71088130731501
Energy: 1.7270967604031
Energy: 1.6029824795883283
Energy: 1.710686657721351
Energy: 1.5967092297772132
Energy: 1.442831476764342
Energy: 1.5909398626701647
Energy: 1.73534787366526
Energy: 1.602717860534456
Energy: 1.78308313511637
Energy: 1.5779591290549857
Energy: 1.5049874408679598
Energy: 1.6605935438161104
Energy: 1.7199049824846273
Energy: 1.478893253505132
Energy: 1.6705675447393376
Energy: 1.6411904456530757
Energy: 1.61765528079581
Energy: 1.6652637170643998
Energy: 1.7289791444738547
Energy: 1.5748547341519505
Energy: 1.5722671977935474
Energy: 1.7305069761336935
Energy: 1.5527800449689584
Energy: 1.7127154682594754
Energy: 1.5726380387572427
Energy: 1.496328460027996
Energy: 1.6376932500345127
Energy: 1.7478591228676685
Energy: 1.5389943015196144
Energy: 1.7129077395196386
Energy: 1.5762883250526547
Energy: 1.471236335697982
Energy: 1.6935993601177295
Energy: 1.6736710400333434
Energy: 1.5544970788502939
Energy: 1.6808133380062928
Energy: 1.6478868005693885
Energy: 1.5130830664888142
Energy: 1.7455832368846276
Energy: 1.6117449861309885
Energy: 1.5678088651551567
Energy: 1.5860880887377815
Energy: 1.7203868808206764
Energy: 1.745817651292313
Energy: 1.7409812508488072
Energy: 1.5966307027909903
Energy: 1.4471436199860548
Energy: 1.695677117995036
Energy: 1.711102969825855
Energy: 1.7154040516686881
Energy: 1.5701895310711163
Energy: 1.7013614046612988
Energy: 1.799934022376752
Energy: 1.711064347857189
Energy: 1.7616312379913357
Energy: 1.622856585533377
Energy: 1.626388312253996
Energy: 1.7278414539058937
Energy: 1.760100669328493
Energy: 1.710360973721719
Energy: 1.6280056024845144
Energy: 1.686279805707316
Energy: 1.7106911677964132
Energy: 1.627171994483633
Energy: 1.6208449013196424
Energy: 1.5903332710826112
Energy: 1.7228697995659796

minimum gb energy = 1.442831476764342 eV
minimum distance =  2.24574704050256 Angstroms
sigma value = 19


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

Energy: 1.8051584458345824
Energy: 1.6985017927099895
Energy: 1.6992042621536658
Energy: 1.6984724321594349
Energy: 1.6979517525025312
Energy: 1.9014324988168132
Energy: 1.4097909780908495
Energy: 1.7325843260012765
Energy: 1.7555469027826627
Energy: 1.5083822883569213
Energy: 1.7269680800292495
Energy: 1.7618375337485985
Energy: 1.5077526264078513
Energy: 1.5757333915057679
Energy: 1.753747687200585
Energy: 1.7794434514179134
Energy: 1.8087574052513797
Energy: 1.424109678284779
Energy: 1.5583996754169547
Energy: 1.5780599673883724
Energy: 1.7364250319315206
Energy: 1.5093457970594313
Energy: 1.7082674794516264
Energy: 1.577916015745023
Energy: 1.6641895525308976
Energy: 1.6434897552701881
Energy: 1.6429683696480955
Energy: 1.4344042729738706
Energy: 1.6422278749271073
Energy: 1.6628979887916873
Energy: 1.5584251982572526
Energy: 1.6810103622939851
Energy: 1.4250661576524875
Energy: 1.4180699862736978
Energy: 1.6261142281539556
Energy: 1.679748931969126
Energy: 1.4329573143287881
Energy: 1.5852030244178972
Energy: 1.566864169088394
Energy: 1.6328815840947484
Energy: 1.5669604473579006
Energy: 1.593301777363642
Energy: 1.4159973000124308
Energy: 1.5628892855776635
Energy: 1.649179585370707
Energy: 1.534150279507239
Energy: 1.6782762776353608
Energy: 1.463050910470265
Energy: 1.4241560661631867
Energy: 1.625181773205891
Energy: 1.6633814935851146
Energy: 1.5387614399972165
Energy: 1.645791925183936
Energy: 1.5747070247560717
Energy: 1.539875380023706
Energy: 1.7145301585910515
Energy: 1.676579329352304
Energy: 1.5135021787115657
Energy: 1.6662036493001247
Energy: 1.7067925451345354
Energy: 1.5389556691655604
Energy: 1.660126680705908
Energy: 1.6645055038779233
Energy: 1.5018994276796032
Energy: 1.660548170712783
Energy: 1.8080564229771843
Energy: 1.7612478435650836
Energy: 1.8085610464457482
Energy: 1.5763166986512305
Energy: 1.4101200528564397
Energy: 1.8474718881234717
Energy: 1.740928714363797
Energy: 1.6001891183049315
Energy: 1.72912458402974
Energy: 1.8146022950734333
Energy: 1.7359152183947093
Energy: 1.6772272216601443
Energy: 1.7292972326604032
Energy: 1.662124917249696
Energy: 1.5396937240703088
Energy: 1.7270126108935515
Energy: 1.7367075581805647
Energy: 1.7264892885808978
Energy: 1.631706553845262
Energy: 1.5695934798132491
Energy: 1.670518069607954
Energy: 1.4980416521754156
Energy: 1.725405047880534
Energy: 1.8211241513168537
Energy: 1.883063718509493
Energy: 1.6654357753359526
Energy: 1.9185836010306878
Energy: 1.5609362792453676
Energy: 1.718611405590375
Energy: 1.742150447483558
Energy: 1.783627180681396
Energy: 1.4096897827299244
Energy: 1.576550415125203
Energy: 1.7606243980320144
Energy: 1.6079659203359626
Energy: 1.68292954019832
Energy: 1.5152376545021708
Energy: 1.5646230013589042
Energy: 1.5786179447685422
Energy: 1.7163902656917198
Energy: 1.573531227789238
Energy: 1.6659308254556546
Energy: 1.5776412282874335
Energy: 1.4781430948519882
Energy: 1.6603883635542007
Energy: 1.6425443205327361
Energy: 1.3955810764022594
Energy: 1.6362447472034982
Energy: 1.6600328514334415
Energy: 1.5383117879573143
Energy: 1.6648790412450911
Energy: 1.57536839218514
Energy: 1.4248210274451203
Energy: 1.6190992032798328
Energy: 1.6489895023254146
Energy: 1.4330719041249873
Energy: 1.5850214862481604
Energy: 1.596024076493638
Energy: 1.4168725931338928
Energy: 1.5819374960963881
Energy: 1.495600923731344
Energy: 1.4164389182864743
Energy: 1.5725166115684595
Energy: 1.6218642317268765
Energy: 1.4178942036080182
Energy: 1.5596265793022503
Energy: 1.5675583701998943
Energy: 1.4241753656529275
Energy: 1.5975075827286276
Energy: 1.7373583866099318
Energy: 1.4996516336487706
Energy: 1.6438821517602102
Energy: 1.5348579960981716
Energy: 1.394599723990097
Energy: 1.6634995723576176
Energy: 1.6735897045945862
Energy: 1.5388296720695775
Energy: 1.66075417689155
Energy: 1.5032293327364605
Energy: 1.5080770856249313
Energy: 1.8024798340022463
Energy: 1.5812684117574178
Energy: 1.502240370473506
Energy: 1.5777223698141822
Energy: 1.705444983563686
Energy: 1.5389129331088274
Energy: 1.6935762000031798
Energy: 1.576831764103386
Energy: 1.4971917622864221
Energy: 1.7993446281827399
Energy: 1.8077551428030938
Energy: 1.6429100288965641
Energy: 1.4094418243204376
Energy: 1.8961335964953752
Energy: 1.7362042582613832
Energy: 1.7267743306714907
Energy: 1.740012370962551
Energy: 1.6065222024799042
Energy: 1.618438232080864
Energy: 1.8377840449216742
Energy: 1.7360642197014227
Energy: 1.7020470774541352
Energy: 1.6181014225105435
Energy: 1.6573330987875574
Energy: 1.829032785884871
Energy: 1.4103196428558273
Energy: 1.6320879101423587
Energy: 1.8216222425990387
Energy: 1.7533872525900367

minimum gb energy = 1.394599723990097 eV
minimum distance =  2.25683096370408 Angstroms
sigma value = 101


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

Energy: 1.775090856288236
Energy: 1.671233935417306
Energy: 1.6748197680398789
Energy: 1.669979827864166
Energy: 1.6698427424781859
Energy: 1.7838718687369517
Energy: 1.3946748701215403
Energy: 1.509484775583926
Energy: 1.4797019456681346
Energy: 1.4781981821191588
Energy: 1.4776484169911934
Energy: 1.5464051479174385
Energy: 1.5758530657397714
Energy: 1.6263557104140245
Energy: 1.7195466075588686
Energy: 1.7612399690939031
Energy: 1.7549865098444257
Energy: 1.4764672384979154
Energy: 1.5029560337744432
Energy: 1.5649639264346582
Energy: 1.5767625502030975
Energy: 1.4783442750230416
Energy: 1.6503723709155478
Energy: 1.522218770630147
Energy: 1.6451986842162072
Energy: 1.6438934587547438
Energy: 1.6329896586242243
Energy: 1.382582076871685
Energy: 1.6214769092940164
Energy: 1.5863168123351001
Energy: 1.5293898137220994
Energy: 1.6341802028974828
Energy: 1.4421878910253751
Energy: 1.3892612871448937
Energy: 1.5341905634866875
Energy: 1.4659480226321675
Energy: 1.3520398033357814
Energy: 1.533466293478714
Energy: 1.5528502846741947
Energy: 1.5131586976936924
Energy: 1.5230615573596786
Energy: 1.5291217915286321
Energy: 1.3991880748947512
Energy: 1.5692364367486156
Energy: 1.6231948169633559
Energy: 1.5198583374220471
Energy: 1.6257881131980025
Energy: 1.3524754558265726
Energy: 1.352665724055491
Energy: 1.5368459238509375
Energy: 1.5393838215840965
Energy: 1.4064565987910627
Energy: 1.5253926679234358
Energy: 1.550328066664169
Energy: 1.452025782837627
Energy: 1.5714300220883737
Energy: 1.4186112048846211
Energy: 1.4264200364921593
Energy: 1.6032744173974554
Energy: 1.4652346170421833
Energy: 1.5043314209045788
Energy: 1.6212054185054712
Energy: 1.5420019610305096
Energy: 1.474770103508058
Energy: 1.6246824973730458
Energy: 1.6220562545724881
Energy: 1.503407528100892
Energy: 1.6734833460710077
Energy: 1.663565009791285
Energy: 1.6520698320547786
Energy: 1.6580266856106924
Energy: 1.4947948799404287
Energy: 1.4745408205216401
Energy: 1.6256368916637314
Energy: 1.690820589416288
Energy: 1.5422425906561374
Energy: 1.663973043616308
Energy: 1.4749447087887626
Energy: 1.4683312087765759
Energy: 1.7876618728243086
Energy: 1.6629797716347174
Energy: 1.5416282770015184
Energy: 1.7798186618591956
Energy: 1.6269301518757733
Energy: 1.723787322061224
Energy: 1.6432020396607614
Energy: 1.679687085108896
Energy: 1.6834815977674775
Energy: 1.6808873395353807
Energy: 1.6708036341903956
Energy: 1.7242318105383845
Energy: 1.8946220307114217
Energy: 1.5090594827675854
Energy: 1.6229915309822
Energy: 1.5112824236414384
Energy: 1.641679659046094
Energy: 1.6850123294323933
Energy: 1.3942884170341252
Energy: 1.544895778289874
Energy: 1.6080393964859991
Energy: 1.759122632540278
Energy: 1.3947142335874776
Energy: 1.6926178621577361
Energy: 1.4776722624219938
Energy: 1.5446979752437058
Energy: 1.7885820163885802
Energy: 1.4774258114827934
Energy: 1.478896469843724
Energy: 1.5447742455744344
Energy: 1.763535922695157
Energy: 1.5536360982417006
Energy: 1.4977678624272561
Energy: 1.636334511853956
Energy: 1.7384367314532758
Energy: 1.544619481550063
Energy: 1.671674242009888
Energy: 1.5612892720226916
Energy: 1.5167676327858244
Energy: 1.4752956473200807
Energy: 1.5111189725112089
Energy: 1.3685089587831307
Energy: 1.6195630999340909
Energy: 1.625630026559449
Energy: 1.5700703275682366
Energy: 1.6265141095455238
Energy: 1.651826737835301
Energy: 1.3788909612284415
Energy: 1.534987632617325
Energy: 1.6692896941285784
Energy: 1.5033694192118003
Energy: 1.647736114201825
Energy: 1.4341409344787746
Energy: 1.4210655069181326
Energy: 1.5340332341301455
Energy: 1.533247331420195
Energy: 1.3764269787444139
Energy: 1.5232957009381607
Energy: 1.5393766797344368
Energy: 1.5194609159052497
Energy: 1.634836581817669
Energy: 1.530721489074104
Energy: 1.3554558386703155
Energy: 1.513840307367652
Energy: 1.5302378582997
Energy: 1.4062400825359136
Energy: 1.5218107027237886
Energy: 1.5473110171078068
Energy: 1.3531360400268422
Energy: 1.5352384807011294
Energy: 1.5862521967696062
Energy: 1.405490498590473
Energy: 1.559938885767999
Energy: 1.5413120522372532
Energy: 1.3387699318703161
Energy: 1.568256560753372
Energy: 1.5511963467266625
Energy: 1.4322630114229866
Energy: 1.5425461237983866
Energy: 1.6216301393397077
Energy: 1.5047049220201347
Energy: 1.6222981245545474
Energy: 1.507964119402798
Energy: 1.6526407163889323
Energy: 1.6286193460718708
Energy: 1.6835337794577692
Energy: 1.5032729472310504
Energy: 1.6572822249285009
Energy: 1.3689812363963474
Energy: 1.5413768339403513
Energy: 1.7780915691557913
Energy: 1.521161154304249
Energy: 1.475348551670356
Energy: 1.4753872233555931
Energy: 1.671051380741883
Energy: 1.5413932415486045
Energy: 1.7765884623026178
Energy: 1.5522812743000802
Energy: 1.476121767860537
Energy: 1.8093632961981294
Energy: 1.7784637516304007
Energy: 1.6835726304925225
Energy: 1.674215992436595
Energy: 1.6743712873366847
Energy: 1.6597012903937953
Energy: 1.478423542765294
Energy: 1.7131427474242487
Energy: 1.6078609599712235
Energy: 1.5969428500083693
Energy: 1.8157786272010494
Energy: 1.7241116916687111
Energy: 1.4775669866485936
Energy: 1.592408541959925
Energy: 1.6069500643025907
Energy: 1.8162566590346971
Energy: 1.3943624809858552
Energy: 1.6883945543322445
Energy: 1.753269094196373
Energy: 1.3901768443656186

minimum gb energy = 1.3387699318703161 eV
minimum distance =  2.26898041373816 Angstroms
sigma value = 33


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

Energy: 0.014278254032015682
Energy: 0.07604507201303452
Energy: 0.07695459332437159
Energy: 0.07429917705729361
Energy: 0.07565266710243373
Energy: 0.015051459900154008
Energy: 0.11589748567333585
Energy: 0.1159842222782183
Energy: 0.11601104003233777
Energy: 0.11662039730689497
Energy: 0.11588534914480693
Energy: 0.11590985651585727
Energy: 0.8727879963296905
Energy: 0.07653776415240371
Energy: 0.01490746453894989
Energy: 0.016118479364431722
Energy: 0.07479840156060906
Energy: 0.07450915103797646
Energy: 0.014384883565385653
Energy: 0.1159842222782183
Energy: 0.11601104003233777
Energy: 0.11662039730620037
Energy: 0.11588534914480693
Energy: 0.11590985651516268

minimum gb energy = 0.014278254032015682 eV
minimum distance =  2.47510272018886 Angstroms
sigma value = 1