Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.884859305620196
cohesive_energy=3.9107321447526497
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.87708249151686e-20, 1.6354698644545198e-19, 2.2192229210524197e-19, 2.7662861327317196e-19, 3.24194033183364e-19, 3.6551256639759e-19, 4.0101359625376197e-19, 4.31262691103682e-19, 4.56935969486898e-19, 4.786839151168139e-19, 4.97056074578892e-19, 5.12497852977384e-19, 5.305335553463219e-19, 5.482408115052899e-19, 5.64152027657544e-19, 5.78010855541644e-19, 5.899102214023619e-19, 5.999831059003199e-19, 6.08335252693362e-19, 6.150387597300179e-19, 6.201513053691119e-19, 6.237289657928339e-19, 6.25832623713276e-19, 6.265183553126279e-19, 6.2577814970772e-19, 6.233796912866219e-19, 6.190281795486779e-19, 6.120859481935559e-19, 6.03209889641196e-19, 5.918873073687179e-19, 5.76987064672518e-19, 5.57530231629222e-19, 5.32472189073462e-19, 5.00548819641012e-19, 4.60143527108166e-19, 4.0918629926379594e-19, 3.45075201254286e-19, 2.64597868928466e-19, 1.63836980416206e-19, 4.06975295508876e-20, -1.1404036932550558e-19, -3.0838856068895397e-19, -5.53685007707622e-19, -8.672421902178599e-19, -1.2728091724654499e-18, -1.80598952361114e-18, -2.5183012333212e-18, -3.5006758364582994e-18, -4.916999980914299e-18, -9.14423087735892e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013059457814911916
Energy: 0.013657742344388253
Energy: 0.40533159010982295
Energy: 6.286452391839847
Energy: 0.013657742343845147
Energy: 0.5210737979386089
Energy: 6.2864523935734375
Energy: 0.5210737978744018
Energy: 0.40533159019952564
Energy: 6.286452393427462
Energy: 0.013059457814911916
Energy: 0.013657742343302045
Energy: 6.286452391972547
Energy: 0.5210737979460616
Energy: 0.013657742343302045
Energy: 0.5210737979667597

minimum gb energy = 0.013059457814911916 eV
minimum distance =  2.62243017022244 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.8639821750959402
Energy: 2.138282199989018
Energy: 0.6786988279731427
Energy: 1.4165546639019109
Energy: 0.6303961859705195
Energy: 0.6911027607367277
Energy: 2.1106321120554012
Energy: 0.6911027607307997
Energy: 0.6774045812342153
Energy: 1.4515241309365272
Energy: 0.9479442100315231
Energy: 1.4515241309332338
Energy: 2.1306858487317024
Energy: 0.631536677765537
Energy: 1.4259223912522487
Energy: 0.631536677745777
Energy: 0.8044340121225265
Energy: 2.0987307885819275
Energy: 0.6320909371974874
Energy: 2.0987307885832447
Energy: 1.397834193550409
Energy: 0.6507523484107938
Energy: 0.6327760005974407
Energy: 0.6507523483950156
Energy: 0.6467827834971677
Energy: 0.6511220669499874
Energy: 0.8047720965734869
Energy: 0.6511220669526222
Energy: 0.6542090851448573
Energy: 0.6654914473221262
Energy: 0.6926505127944012
Energy: 0.6654914473241021
Energy: 0.7041765236855603
Energy: 0.6570865794904168
Energy: 1.3038269478460862
Energy: 0.6570865794904168
Energy: 0.6960053978966537
Energy: 0.6724468849163933
Energy: 0.6743118772436408
Energy: 0.6724468849229799
Energy: 0.7430459719665722
Energy: 0.6567931014000424
Energy: 0.7043456219717543
Energy: 0.6567931014007012
Energy: 1.3621258489187902
Energy: 0.6567887246212066
Energy: 0.6896037158508312
Energy: 0.6567887246199191
Energy: 0.6461087862949629
Energy: 1.3675128726981698
Energy: 2.0391495505159725
Energy: 1.3675128726942176
Energy: 1.3898735204747557
Energy: 0.6513160663782921
Energy: 0.6298371214189487
Energy: 0.6513160663473646
Energy: 0.86135146123753
Energy: 0.6292081280834165
Energy: 0.630140036459735
Energy: 0.6292081280011128
Energy: 0.6726985135720003
Energy: 0.6312350042696832
Energy: 1.4236080786617642
Energy: 0.6312350014156126
Energy: 0.6773554492570869
Energy: 2.863768538638347
Energy: 2.1772569672377844
Energy: 2.863768538708136
Energy: 0.6316251461990173
Energy: 0.6313947691920763
Energy: 0.6321806301192597
Energy: 0.6313947692019564
Energy: 0.634377331961272
Energy: 0.6784532548220186
Energy: 0.6783320832818226
Energy: 0.6784532555883495
Energy: 0.6552147387582347
Energy: 0.6315719859419568
Energy: 0.6358013152807032
Energy: 0.6315719859406395
Energy: 0.6323895662807237
Energy: 2.082288395550868
Energy: 0.8034127246798609
Energy: 2.082288385747666
Energy: 0.6308309075043667
Energy: 0.6310531456260831
Energy: 2.099120655874307
Energy: 0.6310531456306937
Energy: 0.8040005294869919
Energy: 0.6516504410873993
Energy: 0.6473811112080993
Energy: 0.651650441147967
Energy: 0.6935500812742987
Energy: 0.651878975259548
Energy: 0.6566424174635092
Energy: 0.6518789752608654
Energy: 1.3155038578054228
Energy: 0.6588849589167566
Energy: 0.7041650521460548
Energy: 0.6588849589174153
Energy: 0.67640026862229
Energy: 0.6572939205241117
Energy: 0.6985779870994634
Energy: 0.6572939205247703
Energy: 0.7042827973569431
Energy: 0.6553249620566557
Energy: 0.6813086419433674
Energy: 0.6553249620579731
Energy: 0.6761682053950123
Energy: 0.6582450126520646
Energy: 1.362900412547403
Energy: 0.6582450126514059
Energy: 2.0374898101708117
Energy: 1.3645780383041661
Energy: 0.6453883116089748
Energy: 1.3645780382890467
Energy: 0.6307328239224396
Energy: 0.6496677457591069
Energy: 0.6563068882880212
Energy: 0.6496677458130878
Energy: 0.6297013987012473
Energy: 1.399375141045112
Energy: 0.6278352379799238
Energy: 1.399375139939028
Energy: 0.6322273858212687
Energy: 0.6314706134834929
Energy: 2.094757735407118
Energy: 0.631471539135918
Energy: 2.170955684143937
Energy: 0.6787244984027081
Energy: 0.6782046495534323
Energy: 0.6787244984375875

minimum gb energy = 0.6278352379799238 eV
minimum distance =  2.45890641375604 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.9975708857946034
Energy: 2.3448088390223805
Energy: 0.7049316347398237
Energy: 0.7052397005784442
Energy: 0.6538215639910749
Energy: 0.7153223672962266
Energy: 2.3728074976020332
Energy: 0.7153223672939736
Energy: 0.7046296370546069
Energy: 0.7053829955027396
Energy: 0.9103876024048766
Energy: 0.7053829954681938
Energy: 2.3254071792246878
Energy: 0.6520187817163974
Energy: 1.5475830822918142
Energy: 0.6520187817156465
Energy: 0.9104724453738147
Energy: 2.3041506517506094
Energy: 0.652064147560812
Energy: 2.3041506517491075
Energy: 0.6840770017620069
Energy: 0.6797736596589741
Energy: 0.6535650046377607
Energy: 0.679773659662729
Energy: 0.679064206758865
Energy: 0.6786412068409956
Energy: 0.7645475620497949
Energy: 0.6786412068424974
Energy: 0.6859116938746623
Energy: 0.6948608634902185
Energy: 0.6800760911575726
Energy: 0.6948608634924714
Energy: 0.7655652536244886
Energy: 0.6889370460599151
Energy: 0.7069843006699106
Energy: 0.6889370460584131
Energy: 0.718514457900236
Energy: 0.6894350754112256
Energy: 0.6855098122155103
Energy: 0.6894350754097237
Energy: 0.6541410993356933
Energy: 0.6775155932699467
Energy: 0.6792879364327221
Energy: 0.6775155932887218
Energy: 0.6530534032513887
Energy: 0.678861208961819
Energy: 0.685081885358044
Energy: 0.6788612089655739
Energy: 0.651102097053816
Energy: 1.5253358987754346
Energy: 0.8214097581745755
Energy: 1.525335899523838
Energy: 0.6519658634580238
Energy: 1.6375904086570325
Energy: 0.6788173007185329
Energy: 1.6375904086585005
Energy: 0.6530050833773193
Energy: 3.2518397332532207
Energy: 0.7053217186822909
Energy: 3.2518397332532207
Energy: 2.3336569771605515
Energy: 0.6519440580750664
Energy: 1.4906980351872214
Energy: 0.6519440580720625
Energy: 0.7067117837558367
Energy: 0.705295897656331
Energy: 0.654492023408668
Energy: 0.7052958071585201
Energy: 0.6568659568550794
Energy: 0.6523690223265528
Energy: 0.6841598679895496
Energy: 0.6523690223295568
Energy: 0.652198312672582
Energy: 1.5317505979004062
Energy: 0.6553019630339026
Energy: 1.5317505983237985
Energy: 2.328320506820383
Energy: 0.6515351132968588
Energy: 0.6527524968972135
Energy: 0.6515351133028666
Energy: 0.6807019426025537
Energy: 0.6804917806695535
Energy: 0.7642832527005363
Energy: 0.6804917806695535
Energy: 0.683760772689416
Energy: 0.680513878977471
Energy: 0.679843290934599
Energy: 0.680513878980475
Energy: 0.7657933001431216
Energy: 0.6879774170343366
Energy: 0.7068452439042369
Energy: 0.6879774170275775
Energy: 0.6849602703139047
Energy: 0.6899648171867179
Energy: 1.4511784485469281
Energy: 0.6899648171874689
Energy: 0.6518804165417951
Energy: 0.6879664393387086
Energy: 0.6790702679243381
Energy: 0.6879664393409616
Energy: 0.6528784405208764
Energy: 0.6767542682783947
Energy: 0.6841259321902687
Energy: 0.6767542682821496
Energy: 0.6506805337999092
Energy: 1.5187669225618303
Energy: 0.6490390109801567
Energy: 1.5187669131875363
Energy: 0.6531500076600361
Energy: 0.6512994061897464
Energy: 2.296705770874659
Energy: 0.6512994061935014
Energy: 0.6518774945362162
Energy: 2.4075163961561903
Energy: 0.7067152474346841
Energy: 2.407516396175716

minimum gb energy = 0.6490390109801567 eV
minimum distance =  0.905169881549651 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.952440055999512
Energy: 0.6719824463629067
Energy: 0.735017401499953
Energy: 0.7334584811340985
Energy: 0.6796054611237953
Energy: 0.7378060377752415
Energy: 2.668440552235416
Energy: 0.7378060377761144
Energy: 0.7338447269394841
Energy: 1.7471509327461061
Energy: 0.8611182429812942
Energy: 1.7471509326378916
Energy: 2.602496438945008
Energy: 0.6732130799141552
Energy: 2.6536244585223927
Energy: 0.6732130799132822
Energy: 0.8611093475164193
Energy: 0.6736424343771763
Energy: 0.6756721590135466
Energy: 0.6736424343780494
Energy: 0.706650426945783
Energy: 0.7435396284017716
Energy: 0.6742972458769835
Energy: 0.7435396284017716
Energy: 1.5279232257904438
Energy: 0.7246618755675555
Energy: 0.7243594430802386
Energy: 0.7246618755675555
Energy: 0.7061321620401032
Energy: 0.7245113797693781
Energy: 0.6896270606277839
Energy: 0.724511379808664
Energy: 0.7251553186031118
Energy: 0.7248549181460344
Energy: 0.7726950306550694
Energy: 0.7248549181460344
Energy: 0.7052910955825026
Energy: 0.7251387249409448
Energy: 1.619764923477287
Energy: 0.7251387249409448
Energy: 2.50535155378716
Energy: 0.6731763803461862
Energy: 0.6726412548986199
Energy: 0.6731763803461862
Energy: 0.6682207453986797
Energy: 1.7512397139205582
Energy: 1.7224080626709586
Energy: 1.7512397139223044
Energy: 0.7332228264817391
Energy: 1.6309682322229158
Energy: 0.6685719135435293
Energy: 1.6309683419141723
Energy: 0.6751861361938815
Energy: 0.6734395065486583
Energy: 2.6408868742502425
Energy: 0.6734395065346899
Energy: 0.6752436972939341
Energy: 1.7477148920247618
Energy: 0.7368986530015478
Energy: 1.747715014345599
Energy: 0.7090019504609563
Energy: 0.6741260940421542
Energy: 0.6811425661582035
Energy: 0.6741260940421542
Energy: 0.6743195369995777
Energy: 0.673208950642121
Energy: 0.678857397902704
Energy: 0.673208950642121
Energy: 0.6735357299705971
Energy: 0.6730468571118275
Energy: 1.6270691265190562
Energy: 0.6730468571118275
Energy: 0.7243364424217809
Energy: 0.7391906050267749
Energy: 1.5440452747079696
Energy: 0.7391906050267749
Energy: 0.6892401866967621
Energy: 0.717342297802144
Energy: 0.7057528849565166
Energy: 0.717342297803017
Energy: 0.7692872567680482
Energy: 0.725491281958473
Energy: 0.7247282094705739
Energy: 0.7254912819576
Energy: 0.6810773882915622
Energy: 0.7232728257861375
Energy: 0.7059625431874299
Energy: 0.7232728257852644
Energy: 0.671965775582542
Energy: 0.6733858202111745
Energy: 2.501508240907194
Energy: 0.6733858202076825
Energy: 0.6742137183162388
Energy: 1.68920858713785
Energy: 0.6683743287701263
Energy: 1.6892085872539215
Energy: 0.669236929358125
Energy: 0.7329109665336023
Energy: 0.7321938011526523
Energy: 0.7329109665344753

minimum gb energy = 0.6682207453986797 eV
minimum distance =  2.46792211057428 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8842557831768283
Energy: 0.6854578987181473
Energy: 0.7645556514769983
Energy: 1.8420422437134343
Energy: 0.7335052966097141
Energy: 0.7557011015789532
Energy: 3.006095959286585
Energy: 0.7557011015789532
Energy: 0.7652903074754108
Energy: 1.9230274961490101
Energy: 0.7642782856017317
Energy: 1.9230220350346394
Energy: 0.7076206218900045
Energy: 0.7003038656113462
Energy: 3.006378485377683
Energy: 0.7003038656082218
Energy: 0.8009871592907694
Energy: 0.7207203914746038
Energy: 0.7045637670674203
Energy: 0.7207203914756452
Energy: 0.7083214305076756
Energy: 0.7789191976252133
Energy: 0.7136957661641329
Energy: 0.7789191976252133
Energy: 0.7218782252678698
Energy: 0.7668546276703143
Energy: 0.8019396962668026
Energy: 0.7668546276692728
Energy: 1.761126270435709
Energy: 0.7668587320255319
Energy: 0.7131970130389544
Energy: 0.7668587320265734
Energy: 0.6996429601519348
Energy: 1.8986813131590803
Energy: 0.6781707699553571
Energy: 1.8986813131622045
Energy: 1.8878468214663622
Energy: 1.8809973744611224
Energy: 0.6787312411251663
Energy: 1.8809973727528662
Energy: 0.8808534545249781
Energy: 1.824728046170652
Energy: 0.7597076724191849
Energy: 1.8247280461540127
Energy: 1.9082728485137537
Energy: 0.7593223031380545
Energy: 0.7137270412890855
Energy: 0.7593223033847588
Energy: 0.7659125994630432
Energy: 3.0111504072633513
Energy: 0.763915038630315
Energy: 3.0111504072633513
Energy: 0.7069089374048074
Energy: 0.7007728168381566
Energy: 0.7057397752349815
Energy: 0.7007728168339908
Energy: 0.8006770480183834
Energy: 0.7424477947269716
Energy: 0.7119631798653188
Energy: 0.7424477947259301
Energy: 0.7078387250468324
Energy: 0.6995672688357056
Energy: 0.7087162886367716
Energy: 0.6995672688325811
Energy: 0.7307101735850732
Energy: 0.777308306939313
Energy: 0.8023303982402991
Energy: 0.7773083069372302
Energy: 0.7321415759048451
Energy: 0.7688032222602545
Energy: 0.7161014600274165
Energy: 0.7688032222623137
Energy: 0.7001082741224203
Energy: 1.868840524479412
Energy: 0.6791491263903936
Energy: 1.8688405243419886
Energy: 0.7125097769026186
Energy: 1.8784005280342875
Energy: 0.6794973795219665
Energy: 1.878400523865141
Energy: 0.6776303143341593
Energy: 1.8462207391281165
Energy: 0.7569640510526897
Energy: 1.8462207811276599

minimum gb energy = 0.6776303143341593 eV
minimum distance =  0.935584340414339 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7966956237089425
Energy: 0.6990366029231333
Energy: 0.7952342612247273
Energy: 0.79394747717777
Energy: 0.7847438336309573
Energy: 0.7480440450024949
Energy: 3.5426828934822114
Energy: 0.7480440450012068
Energy: 0.7931397370093647
Energy: 2.1736148318644313
Energy: 0.8610989997716403
Energy: 2.173632250001895
Energy: 0.7866381203019632
Energy: 0.7485319368186479
Energy: 0.7172115446289153
Energy: 0.748531936816072
Energy: 0.7431754656684018
Energy: 0.7745981056896057
Energy: 1.943411497879717
Energy: 0.774598105688318
Energy: 0.6927688375583623
Energy: 0.7748822966936705
Energy: 0.7123383982744894
Energy: 0.7748822966949585
Energy: 0.797697095284297
Energy: 2.1307848467037966
Energy: 0.7454555114911744
Energy: 2.1307848466780377
Energy: 0.6918201781695462
Energy: 0.7706935291522402
Energy: 0.7154968224290681
Energy: 0.7706935291509522
Energy: 0.7851164301174601
Energy: 2.2488471342222707
Energy: 3.3823220496308855
Energy: 2.2488471342222707
Energy: 0.7155130119117561
Energy: 0.784889902758128
Energy: 0.8044010446744683
Energy: 0.784889902758128
Energy: 0.8409832773667937
Energy: 2.180703151057777
Energy: 0.7943922341496166
Energy: 2.1807030693272584
Energy: 0.6914128103254967
Energy: 0.7506630603750857
Energy: 0.785195815714194
Energy: 0.7506630603750857
Energy: 0.7133058831159476
Energy: 0.7742006948475583
Energy: 0.7440591446204284
Energy: 0.7742006948475583
Energy: 1.942430180779116
Energy: 0.7615208758054469
Energy: 0.6943651352535358
Energy: 0.761520875804159
Energy: 0.7447145526727121
Energy: 0.7613576609147359
Energy: 0.6916371576283955
Energy: 0.7613576609160237
Energy: 0.712860066331624
Energy: 2.1149435341302127
Energy: 0.6912586454798962
Energy: 2.1149441521105348
Energy: 3.39036107026121
Energy: 0.7846443239191819
Energy: 0.7838624080670414
Energy: 0.7846443239178938

minimum gb energy = 0.6912586454798962 eV
minimum distance =  2.45131479243218 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.3762750842418083
Energy: 0.7942650383971871
Energy: 0.8645607576953575
Energy: 0.8613353303781282
Energy: 0.7773957855186304
Energy: 0.744301901768313
Energy: 2.316006098865167
Energy: 0.7443019017624776
Energy: 0.7563915021485611
Energy: 1.5949447156278078
Energy: 2.2913146491572323
Energy: 1.5949446911632748
Energy: 0.7578711562645857
Energy: 0.7910340268281417
Energy: 0.7570693288559108
Energy: 0.7910340268288711
Energy: 2.1733782375278015
Energy: 0.8243105694936206
Energy: 0.7204812647008472
Energy: 0.82431056949435
Energy: 0.7591396514550444
Energy: 0.8199239756401007
Energy: 1.5135825354027759
Energy: 0.8199239756401007
Energy: 0.7865795342202477
Energy: 0.7486921573266642
Energy: 0.7486985178851361
Energy: 0.7486921573324996
Energy: 2.350306363010247
Energy: 0.7559191907788702
Energy: 0.7529851668709443
Energy: 0.7559191907723053
Energy: 0.8640925747524564
Energy: 0.8505003276218136
Energy: 0.7937534011547186
Energy: 0.8505003276247313
Energy: 0.8500158733270271
Energy: 0.8126340813607423
Energy: 0.7540739266797586
Energy: 0.8126340813680367
Energy: 0.8014298033249453
Energy: 0.7451311253333773
Energy: 0.7297588872634083
Energy: 0.7451311253326479
Energy: 0.7962723780758104
Energy: 0.743744012057826
Energy: 0.7446977828501338
Energy: 0.7437440120585554
Energy: 0.7877542662684355
Energy: 0.742609582178622
Energy: 0.7434046940334174
Energy: 0.742609582178622
Energy: 0.7861060795287901
Energy: 1.649768085877049
Energy: 0.7317333493469663
Energy: 1.6497680858777786
Energy: 0.8476632848482784
Energy: 0.8498846068135592
Energy: 0.7982520695586134
Energy: 0.8498846068128298
Energy: 0.8720560617956225
Energy: 1.64298928630275
Energy: 0.8620406978377148
Energy: 1.6429892863195268
Energy: 0.8512071015056821
Energy: 1.5746384979046935
Energy: 0.7524000028389745
Energy: 1.5635932868672342
Energy: 0.7950164479852119
Energy: 0.748550023655543
Energy: 0.7472971125050677
Energy: 0.7485500236548136
Energy: 0.7557202592829272
Energy: 0.8256853295018436
Energy: 0.7530230379947422
Energy: 0.8256853295018436
Energy: 0.7710372910308956
Energy: 0.8257625971297531
Energy: 0.7518239585194532
Energy: 0.8257625971290238
Energy: 0.751274160737953
Energy: 0.7562404567347756
Energy: 0.7992958461963791
Energy: 0.7562404567274812
Energy: 0.7526412444781468
Energy: 0.7502359052655302
Energy: 0.7878261427421939
Energy: 0.7502359052596946
Energy: 0.7560853366477716
Energy: 0.7933322548908976
Energy: 1.6048285260826451
Energy: 0.7933322548908976
Energy: 0.8523194902595148
Energy: 0.8499920502273951
Energy: 0.8562747662570345
Energy: 0.8499920501369785
Energy: 0.7334178457151522
Energy: 0.7432882049183301
Energy: 2.283176430180388
Energy: 0.7432882049190594
Energy: 0.7441195998773457
Energy: 0.7436662862421627
Energy: 0.799010674155731
Energy: 0.7436662862421627
Energy: 0.732917543920279
Energy: 0.732034747123089
Energy: 0.805217236778316
Energy: 0.7320347471252774
Energy: 0.731392058246362
Energy: 0.7438387613652719
Energy: 2.2027676961054055
Energy: 0.7438387613681897
Energy: 1.5445331233116701
Energy: 0.7440869300446069
Energy: 0.7860740173578382
Energy: 0.7440869300453363
Energy: 2.3737883641042345
Energy: 1.6033090804185883
Energy: 0.857326416290647
Energy: 1.6033088017332204

minimum gb energy = 0.7204812647008472 eV
minimum distance =  0.924281001549681 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.0463889485724414
Energy: 0.668274974007398
Energy: 0.7946692885239918
Energy: 2.5371855676846304
Energy: 0.8839017069211207
Energy: 0.7203339725600005
Energy: 2.3700108598608347
Energy: 0.7203339725600005
Energy: 0.7885699848828837
Energy: 0.7795225162464455
Energy: 0.8046520989572111
Energy: 0.7795225162464455
Energy: 0.7834995099031004
Energy: 0.7201183437333857
Energy: 0.777068290598682
Energy: 0.7201183437468198
Energy: 0.7954993035167198
Energy: 0.7214169248919723
Energy: 0.6719519095240658
Energy: 0.7214169248919723
Energy: 0.7769022673620353
Energy: 0.7190089021961625
Energy: 0.6679775499758539
Energy: 0.7190089021995212
Energy: 0.8835827608188478
Energy: 2.565246318578308
Energy: 0.784286247642617
Energy: 2.565246318477589
Energy: 0.9177820474738614
Energy: 0.777532508143813
Energy: 0.7766300879934049
Energy: 0.7775325081387754
Energy: 0.7863004362178658
Energy: 0.7787621287411162
Energy: 0.8046261086482229
Energy: 0.7787621287495126
Energy: 0.7768893683733876
Energy: 0.7217872220286013
Energy: 4.239021473541559
Energy: 0.7217872220302806
Energy: 0.7981018371230347
Energy: 0.7197168261988227
Energy: 0.6680509082114419
Energy: 0.7197168261971435
Energy: 0.7829408437560723
Energy: 0.7214895371944811
Energy: 0.6680067334012336
Energy: 0.7214895371911225
Energy: 0.9235719558888847
Energy: 2.5296756288650846
Energy: 0.7756060562546381
Energy: 2.5296763687621757

minimum gb energy = 0.6679775499758539 eV
minimum distance =  0.933563101933778 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.0339553020932086
Energy: 0.8185990232209757
Energy: 0.8986017976989091
Energy: 0.8960341907054996
Energy: 0.781080333967813
Energy: 0.7439038629445464
Energy: 0.9289696583949975
Energy: 0.7439038629451677
Energy: 0.7426086930186206
Energy: 0.7387744062372659
Energy: 0.8850565416433366
Energy: 0.7387744062354014
Energy: 0.7424750304710254
Energy: 0.7389648448136085
Energy: 0.9459196378875426
Energy: 0.7389648448167161
Energy: 0.7420845734870131
Energy: 0.7426155987049873
Energy: 2.1008688431054208
Energy: 0.7426155987068519
Energy: 0.7418332937974592
Energy: 0.7421063805432963
Energy: 2.1082985378919763
Energy: 0.7421063805439178
Energy: 0.9402595550546602
Energy: 2.2374581873498554
Energy: 0.882173638736699
Energy: 2.237458187351099
Energy: 0.895051502571245
Energy: 0.8706960457884603
Energy: 0.8695167047765806
Energy: 0.8706960457928109
Energy: 0.7720689790699469
Energy: 0.835303211903992
Energy: 0.811303453425253
Energy: 0.835303211903992
Energy: 0.7539853019745772
Energy: 0.8299689192216744
Energy: 0.8802461502281018
Energy: 0.8299689192235389
Energy: 0.7655344249622358
Energy: 0.7673233264230901
Energy: 2.2062235906826904
Energy: 0.7673233264373852
Energy: 0.7832943655535523
Energy: 1.4715500944406548
Energy: 0.9455135256072351
Energy: 1.471550094459922
Energy: 1.5538760605558717
Energy: 0.766536941657102
Energy: 0.7926352585384085
Energy: 0.7665369416552374
Energy: 2.1707184342445736
Energy: 0.767017754001086
Energy: 0.7676825280085301
Energy: 0.7670177540060581
Energy: 0.8677997867354588
Energy: 0.8248617785361755
Energy: 0.7828633579356628
Energy: 0.8248617785367971
Energy: 0.8201407397012366
Energy: 0.8298556859980342
Energy: 0.7840342484531443
Energy: 0.8298556860005203
Energy: 1.4667732515362106
Energy: 0.8372106884216144
Energy: 1.4921870744602037
Energy: 0.8372106884216144
Energy: 0.8781101855954266
Energy: 2.182635683129252
Energy: 0.9469492178881456
Energy: 2.182635676675058
Energy: 0.8939462543736929
Energy: 0.7421228775902037
Energy: 0.7573383860040461
Energy: 0.7421228775945544
Energy: 0.8837777183909363
Energy: 0.7434934093320311
Energy: 0.7439545957721783
Energy: 0.7434934093314096
Energy: 0.9357851802660679
Energy: 0.738408996348704
Energy: 0.7431718193148102
Energy: 0.7384089963468395
Energy: 2.126454291963853
Energy: 0.7426176259733672
Energy: 0.7409940367574736
Energy: 0.7426176259696379
Energy: 2.0995132746768923
Energy: 0.7400378412702124
Energy: 0.741289535669184
Energy: 0.7400378412521881
Energy: 0.8830885358032349
Energy: 2.1777922324319805
Energy: 0.8979021870404938
Energy: 2.1777922324419254
Energy: 0.8696089168378682
Energy: 2.1775874718567345
Energy: 0.8973813118141796
Energy: 2.1775874653304994
Energy: 0.7915794378475218
Energy: 0.824325192457592
Energy: 0.7673908308459404
Energy: 0.8243251924638072
Energy: 0.880666526543305
Energy: 0.8340746002581692
Energy: 0.7551881284098438
Energy: 0.8340746002550615
Energy: 0.8822459093643491
Energy: 0.7689232519529168
Energy: 0.7668379889142921
Energy: 0.7689232519554029
Energy: 0.9457782691367992
Energy: 1.4379200106213046
Energy: 0.786225476405456
Energy: 1.4379200106256553
Energy: 0.7927663466759968
Energy: 0.7661825197306666
Energy: 0.9457142101002686
Energy: 0.7661825197598786
Energy: 0.7705882726485586
Energy: 0.7674638844976907
Energy: 0.8849540644037455
Energy: 0.7674638844970691
Energy: 0.7838773581254765
Energy: 0.8267073679189164
Energy: 0.873365437755499
Energy: 0.8267073679201595
Energy: 0.786459366389826
Energy: 0.8301229642500847
Energy: 0.828894794491466
Energy: 0.8301229642513278
Energy: 0.767173746013254
Energy: 0.8358406365843472
Energy: 0.8210751349747522
Energy: 0.8358406365837255
Energy: 0.9448884700426402
Energy: 1.532703960915124
Energy: 0.8760234705504432
Energy: 1.5327039609306623

minimum gb energy = 0.7384089963468395 eV
minimum distance =  0.91954554529793 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.967730089374797
Energy: 0.7894680042213083
Energy: 0.8728236056867307
Energy: 0.8283425055344891
Energy: 0.7902846606641667
Energy: 0.7569685357698726
Energy: 1.3653105639494185
Energy: 0.7569685357679002
Energy: 0.7539493551923464
Energy: 0.7536268252544857
Energy: 0.870921948531185
Energy: 0.7536268252525136
Energy: 0.7528637122609687
Energy: 0.7538599666190848
Energy: 0.9239978807044109
Energy: 0.7538599666180987
Energy: 0.7556607497992578
Energy: 0.757423734829426
Energy: 0.9213089860359038
Energy: 0.7574237348225233
Energy: 0.7885046668868406
Energy: 0.7572675249954193
Energy: 0.9208023836767207
Energy: 0.7572675249973914
Energy: 0.8420818522927668
Energy: 2.525247231202283
Energy: 0.8763643775971336
Energy: 2.5252472312012966
Energy: 0.8247718262272289
Energy: 0.8644771055241519
Energy: 0.8633228728687609
Energy: 0.8644771055241519
Energy: 0.7749965967557446
Energy: 0.7791808691896177
Energy: 0.8678548614457816
Energy: 0.7791808690900656
Energy: 0.8138196479267572
Energy: 0.8491714710586028
Energy: 0.866060359776578
Energy: 0.8491714710586028
Energy: 0.7757554047588311
Energy: 0.7204715967462745
Energy: 2.899419092636758
Energy: 0.7204715967482466
Energy: 0.7778534000678154
Energy: 0.7210162247935696
Energy: 0.9129592139208591
Energy: 0.7210162247935696
Energy: 0.8721608202083553
Energy: 0.7196865274622773
Energy: 0.7828682282576057
Energy: 0.7196865274622773
Energy: 0.8684010900938764
Energy: 0.7997364715617019
Energy: 0.7789778168387388
Energy: 0.7997364715607158
Energy: 0.8700273020175094
Energy: 0.7765538206461725
Energy: 0.7816350106293979
Energy: 0.7765538206451863
Energy: 0.9214265111625808
Energy: 0.7819489249867593
Energy: 0.7812820673340929
Energy: 0.7819489249867593
Energy: 0.922138075204922
Energy: 0.7912429984038137
Energy: 0.780405066893645
Energy: 0.7912429984028275
Energy: 0.8511927925277146
Energy: 0.852634029324662
Energy: 0.8447718098439381
Energy: 0.8526340293532593
Energy: 0.8374955274402343
Energy: 0.8205313047987988
Energy: 0.8393498565282285
Energy: 0.8205313047987988
Energy: 2.2187230515010583
Energy: 0.8212713570817831
Energy: 1.2978031910080212
Energy: 0.8212713570817831
Energy: 0.836662786203636
Energy: 0.836112086936177
Energy: 0.7851933549090812
Energy: 0.8361120869292743
Energy: 0.9287329415178779
Energy: 0.8290215581795206
Energy: 0.8292994062886367
Energy: 0.8290215581805067

minimum gb energy = 0.7196865274622773 eV
minimum distance =  2.43976243544113 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.359972285517017
Energy: 0.7768101062610319
Energy: 0.8771353915282146
Energy: 0.8775886778194263
Energy: 0.7514924181395529
Energy: 0.8113021524590339
Energy: 1.5634133857036754
Energy: 0.8113021524562448
Energy: 0.7550668351815331
Energy: 0.756134163988836
Energy: 0.8338116308464323
Energy: 0.7561341639916251
Energy: 1.460632853259042
Energy: 0.7588663862303027
Energy: 0.9066359614717749
Energy: 0.7588663862309998
Energy: 0.7536753029083106
Energy: 0.7531227194387675
Energy: 0.9001314188648026
Energy: 0.7531227186692832
Energy: 0.8323281558746763
Energy: 0.7550222852819232
Energy: 0.8993247557205231
Energy: 0.7550222851794859
Energy: 1.5634927546412962
Energy: 0.7538284467499478
Energy: 0.7689728338181548
Energy: 0.7538284467478558
Energy: 0.9123712236886719
Energy: 0.7537151322989877
Energy: 0.7512020854263571
Energy: 0.753715132299685
Energy: 0.9098766414129306
Energy: 0.7658309331902506
Energy: 0.7712197144945603
Energy: 0.7658309331888561
Energy: 2.186352454355812
Energy: 0.7538570520745226
Energy: 0.7518642945891005
Energy: 0.7538570520347776
Energy: 0.9071729345264279
Energy: 0.8241784077258774
Energy: 0.7670459499520254
Energy: 0.8241784077286666
Energy: 0.8321907744252782
Energy: 1.6072744599886428
Energy: 0.9092551725603282
Energy: 1.6072744604033367
Energy: 0.8284869627836507
Energy: 0.8087662671388414
Energy: 0.8257725837391379
Energy: 0.8087662671409332
Energy: 1.5250521153044954
Energy: 0.8136701743470456
Energy: 0.7734589762783257
Energy: 0.8136701743421964
Energy: 0.8269184940614529
Energy: 0.8086621679620467
Energy: 0.7699891197142402
Energy: 0.8086621679613493
Energy: 2.3233645089726562
Energy: 0.8261466830970836
Energy: 0.8273188563968489
Energy: 0.8261466830991754
Energy: 0.7751172262641184
Energy: 0.8249681745837631
Energy: 0.901258210440584
Energy: 0.8249681746144435
Energy: 0.7520997454075152
Energy: 0.7544022770078824
Energy: 0.8358914935657242
Energy: 0.7544022770078824
Energy: 1.4367997650752302
Energy: 0.7656340209711014
Energy: 0.91141757960756
Energy: 0.7656340209766798
Energy: 0.7533492196345837
Energy: 0.75386910194427
Energy: 2.2990612745417853
Energy: 0.7538691019428755
Energy: 0.76866729980591
Energy: 0.7537116814276188
Energy: 0.9035900734449718
Energy: 0.7537116814875535
Energy: 0.909519779789027
Energy: 0.7533296012351992
Energy: 0.7681958811605503
Energy: 0.7533296012331075
Energy: 0.9103793096731188
Energy: 0.7533038345354292
Energy: 0.7529735404988351
Energy: 0.7533038345354292
Energy: 0.9013396021284958
Energy: 0.7591261275953947
Energy: 0.7616847325959388
Energy: 0.7591261275933028
Energy: 2.1711515856407244
Energy: 0.7553674152647155
Energy: 0.7600283075639034
Energy: 0.7553674152612291
Energy: 0.8933504680005793
Energy: 0.7667476875681896
Energy: 1.557094336627062
Energy: 0.766747687578617
Energy: 0.8773361572942067
Energy: 2.4409759617268927
Energy: 0.9497062150305386
Energy: 2.4409759617303797
Energy: 0.8248324735406494
Energy: 0.8135606803053078
Energy: 1.5543209364278063
Energy: 0.8135606803115835
Energy: 2.149559612013524
Energy: 0.8093591578606522
Energy: 1.4969814196825235
Energy: 0.8093591578627441
Energy: 0.8227095009792464
Energy: 0.8143792528804167
Energy: 0.7745375113872528
Energy: 0.8143792528769619
Energy: 0.9146218415272968
Energy: 1.5809754558131
Energy: 0.8260658723002456
Energy: 1.5804514725599892

minimum gb energy = 0.7512020854263571 eV
minimum distance =  0.910744757778143 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.7606657320849822
Energy: 0.8246625657497344
Energy: 0.796016779114078
Energy: 3.2221373527926573
Energy: 0.7170059887682695
Energy: 0.7697836553105317
Energy: 0.7275649761003599
Energy: 0.7697836553110176
Energy: 3.175370292645212
Energy: 0.7727853874147947
Energy: 0.7200659414260485
Energy: 0.7727853874076702
Energy: 0.7173961389446422
Energy: 0.7261137504059537
Energy: 0.7257346035458099
Energy: 0.7261137504308898
Energy: 0.7217242071153667
Energy: 3.2276180552438865
Energy: 0.7191344087200333
Energy: 3.2276180552448306
Energy: 0.7248085875229527
Energy: 3.2084539237602407
Energy: 0.718328840071664
Energy: 3.2084539734148767
Energy: 0.7198485515251565
Energy: 0.7731950897808748
Energy: 0.7254125549727758
Energy: 0.7731950897787159
Energy: 3.2241983549594293
Energy: 0.726946829730189
Energy: 0.7168751729280579
Energy: 0.7269468297275982
Energy: 0.715750810486064
Energy: 0.7277043704368505
Energy: 0.725702372981013
Energy: 0.7277043704382539

minimum gb energy = 0.715750810486064 eV
minimum distance =  2.44501715773013 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.0758372134662944
Energy: 0.7114527297344292
Energy: 0.8377027948791441
Energy: 0.7339492834429913
Energy: 2.153772382218987
Energy: 0.7315156630334516
Energy: 0.8435272988884807
Energy: 0.7315156630327929
Energy: 1.4278874183941905
Energy: 0.797563375827506
Energy: 2.0650839450812692
Energy: 0.7975633758268473
Energy: 0.7587647931802154
Energy: 0.7313890072330493
Energy: 0.830002161191457
Energy: 0.7313890072356541
Energy: 0.8246435733767082
Energy: 0.7317510956115583
Energy: 0.846513824096745
Energy: 0.7317510915223945
Energy: 0.7336295089812053
Energy: 0.7347177379281812
Energy: 0.8464295560499553
Energy: 0.7347178251636758
Energy: 0.7300383484866445
Energy: 0.7303701215456153
Energy: 0.8584924709338995
Energy: 0.7303701215469327
Energy: 0.7345791115582867
Energy: 0.7332680026242571
Energy: 2.1075105415376933
Energy: 0.7332680026203051
Energy: 2.2159704916902294
Energy: 0.7419456638941384
Energy: 0.9234771477301841
Energy: 0.7419456638941384
Energy: 0.8532932590972201
Energy: 0.703335474034397
Energy: 0.7079598616481256
Energy: 0.7033354740488577
Energy: 0.828363887375384
Energy: 0.7020574144911542
Energy: 0.7019669669798453
Energy: 0.7020574144898369
Energy: 0.9254885637187085
Energy: 0.7030756073496733
Energy: 0.7007943333223636
Energy: 0.7030756073503321
Energy: 0.9366775819236084
Energy: 0.7019038368976026
Energy: 0.8566353652416872
Energy: 0.7019038369443682
Energy: 0.8219576692869256
Energy: 0.7396019600985799
Energy: 0.846896254164302
Energy: 0.7396019601005559
Energy: 1.3745053279160007
Energy: 0.7318535265129229
Energy: 0.8446740856913479
Energy: 0.7318535265142403
Energy: 0.7319698301579887
Energy: 0.7313136642107037
Energy: 1.576622046041801
Energy: 0.7313136642100448
Energy: 0.7356781459393517
Energy: 1.5062786286450023
Energy: 2.2686728227122397
Energy: 1.5062786223331615
Energy: 0.8289207010886066
Energy: 0.7320409822689797
Energy: 1.51737237126701
Energy: 0.7320409822709557
Energy: 2.072911596780903
Energy: 0.7989334217064233
Energy: 1.4301239754195445
Energy: 0.7989334217064233
Energy: 0.8294568675143944
Energy: 0.7321039923167305
Energy: 0.760322840044066
Energy: 0.732103992314096
Energy: 0.8455019583027834
Energy: 0.7334795617569871
Energy: 0.8281780533754176
Energy: 0.733479561518639
Energy: 0.8466656530539632
Energy: 2.2307163358916418
Energy: 0.7313071564870861
Energy: 2.2307163358916418
Energy: 0.8556009503356855
Energy: 0.7317734013739665
Energy: 0.7299953776639789
Energy: 0.7317734013700145
Energy: 2.0901702074106105
Energy: 0.7313826317356982
Energy: 0.731973928250166
Energy: 0.7313826317304287
Energy: 0.9264319203721569
Energy: 0.7391498552080524
Energy: 0.8281208737844008
Energy: 0.7391498552093697
Energy: 0.7114534982255839
Energy: 0.7036629572557511
Energy: 0.8456879737406855
Energy: 0.7036629568501911
Energy: 0.7113593824362933
Energy: 0.7037467531303313
Energy: 2.2135656609842016
Energy: 0.7037467531303313
Energy: 0.7004126958757733
Energy: 0.703296968958869
Energy: 1.5178026152446913
Energy: 0.7032969689483304
Energy: 0.7724158630233094
Energy: 0.7030207697261285
Energy: 0.9403415611634199
Energy: 0.7030207697880134
Energy: 0.8453734763535186
Energy: 0.7382505196826802
Energy: 0.8258900209300161
Energy: 0.7382505196826802
Energy: 0.8456133949850639
Energy: 0.7316944000559998
Energy: 1.3747474032987201
Energy: 0.7316944000566585
Energy: 1.579423390375015
Energy: 0.7314518708915444
Energy: 1.3788617722803607
Energy: 0.7314518708928617
Energy: 2.3169056398119974
Energy: 0.731811853061777
Energy: 0.7349275486958295
Energy: 0.7318118530525557

minimum gb energy = 0.7004126958757733 eV
minimum distance =  2.41150574863334 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.1530914464869797
Energy: 0.6604401200373672
Energy: 0.813491478920568
Energy: 1.7816477204651398
Energy: 0.8363896411768514
Energy: 0.6957403402627476
Energy: 0.8342495371773719
Energy: 0.6957403402600155
Energy: 1.6610805371855064
Energy: 0.7767965299430587
Energy: 2.5435479284602436
Energy: 0.776796529942148
Energy: 0.7239338564110647
Energy: 0.7778935434949261
Energy: 0.8365818738965343
Energy: 0.7778935434958367
Energy: 0.8327216529640004
Energy: 2.753921997165018
Energy: 0.8326907585506902
Energy: 2.753921997621081
Energy: 0.6946801725382113
Energy: 0.6980827579611771
Energy: 0.8312381222312594
Energy: 0.6980827579593557
Energy: 0.6930931721222172
Energy: 0.6949257447797881
Energy: 0.8818174704040159
Energy: 0.694925744777056
Energy: 0.6995193202722074
Energy: 0.6960883095127065
Energy: 2.5673920990240906
Energy: 0.6960883103210519
Energy: 0.8392959620792325
Energy: 0.7147629648907178
Energy: 0.9292651779994283
Energy: 0.7147629648907178
Energy: 0.8294444356251681
Energy: 0.698341347250861
Energy: 0.7031940923572715
Energy: 0.6983413472499502
Energy: 0.8881288685808044
Energy: 0.6975174744275975
Energy: 1.5816883153402193
Energy: 0.6975174744285082
Energy: 0.9282941634922772
Energy: 1.7540043349100745
Energy: 0.6976619734313707
Energy: 1.7516842031723503
Energy: 0.9265043937783143
Energy: 0.6949351954111792
Energy: 0.6972649753748957
Energy: 0.6949351954175542
Energy: 0.8856798837980043
Energy: 0.7787324150108427
Energy: 2.5372792437650813
Energy: 0.7787324150108427
Energy: 0.7234600108758096
Energy: 0.7760493843378353
Energy: 0.8401578728744789
Energy: 0.7760493843378353
Energy: 0.7266535075549576
Energy: 0.695167097147583
Energy: 2.775279800430796
Energy: 0.6951670971466724
Energy: 0.6988944072198757
Energy: 2.877078162739049
Energy: 2.7289252832833064
Energy: 2.877078162739049
Energy: 0.6963167939636946
Energy: 0.6973564430058038
Energy: 0.83631447270091
Energy: 0.6973564430076252
Energy: 0.6936348790553726
Energy: 0.6949715772359614
Energy: 0.9305582631815174
Energy: 0.6949715772359614
Energy: 0.6994415790962104
Energy: 0.6997078485720252
Energy: 2.5694317590572147
Energy: 0.6997078485720252
Energy: 0.831992929820871
Energy: 0.7131404489940204
Energy: 1.8926873409138358
Energy: 0.7131404489994847
Energy: 0.831386031425455
Energy: 0.6955432371255632
Energy: 0.6959707564675951
Energy: 0.6955432371319381
Energy: 0.8857674221710492
Energy: 0.694489859610391
Energy: 1.581709146014617
Energy: 0.694489859610391
Energy: 0.9255656178169356
Energy: 1.7750141524373777
Energy: 0.6966629965889812
Energy: 1.7750141523599665

minimum gb energy = 0.6604401200373672 eV
minimum distance =  0.950590947938683 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.9101869229082201
Energy: 0.6709948480885028
Energy: 0.8273069100588121
Energy: 0.6996267770676761
Energy: 2.049435293125683
Energy: 0.6964587267405539
Energy: 0.7884952650844986
Energy: 0.6964587267338503
Energy: 0.8526080591776862
Energy: 0.8094187034438954
Energy: 1.8365012952093616
Energy: 0.8094187034438954
Energy: 1.8475556089965466
Energy: 0.7279885475662035
Energy: 0.7878217472178606
Energy: 0.7279885475611374
Energy: 0.8584019629555097
Energy: 0.6724635638920035
Energy: 0.8703876515855234
Energy: 0.6724635638953808
Energy: 0.6729148516637076
Energy: 0.6727472570214021
Energy: 2.122486750456206
Energy: 0.672747257022528
Energy: 0.6723859028531832
Energy: 0.6732831891464075
Energy: 0.7201283068418957
Energy: 0.6732831891480962
Energy: 0.6794410444653203
Energy: 0.6754675230687556
Energy: 2.0765260302553266
Energy: 0.6754675230800136
Energy: 0.8608890646989628
Energy: 0.6748335607991734
Energy: 2.1573871415605574
Energy: 0.6748335607969218
Energy: 0.794153966733856
Energy: 0.730642439987309
Energy: 0.786300750849623
Energy: 0.7306424399878719
Energy: 0.8575008792381629
Energy: 0.6950206903973839
Energy: 0.7177007163789267
Energy: 0.6950206903973839
Energy: 0.864647790423019
Energy: 0.6990826980806758
Energy: 0.7789153089627442
Energy: 0.6990826980829274
Energy: 1.4497431813115333
Energy: 1.3782654622111248
Energy: 0.6983449209271178
Energy: 1.3782654621705965
Energy: 0.8021401029396745
Energy: 0.6953965331438057
Energy: 0.6939302550228057
Energy: 0.6953965331449314
Energy: 0.8615676544250918
Energy: 0.695693571314865
Energy: 0.697794174027363
Energy: 0.6956935713154279
Energy: 2.0458602026945014
Energy: 0.6945044890882611
Energy: 0.7962114627614414
Energy: 0.6945044890325857
Energy: 0.7061465908980294
Energy: 0.6984030067112209
Energy: 1.9568338574456572
Energy: 0.6984030068299409
Energy: 1.2404953701856187
Energy: 0.6960937579492716
Energy: 2.0880015545880872
Energy: 0.6960937579492716
Energy: 0.6996205630064751
Energy: 0.698425659362799
Energy: 0.7846444212050373
Energy: 0.6984256593594218
Energy: 0.6980649437388324
Energy: 0.7007701931163122
Energy: 0.8696267069399151
Energy: 0.7007701930392467
Energy: 0.7872659188364104
Energy: 0.6953800999609708
Energy: 1.4591887424668806
Energy: 0.6953800999671627
Energy: 0.7961582074696604
Energy: 0.8107541248342911
Energy: 0.8551635811362318
Energy: 0.8107541248326025
Energy: 0.7192467930757572
Energy: 0.7266561737816257
Energy: 0.8575551203540326
Energy: 0.7266561737889434
Energy: 0.8748676442624962
Energy: 0.6740768172859061
Energy: 0.760176158888296
Energy: 0.6740768170192466
Energy: 1.4747517783970538
Energy: 0.6733418902059506
Energy: 0.6715265184795214
Energy: 0.6733418902098909
Energy: 1.3910451318338657
Energy: 0.6726385793869364
Energy: 0.6780484763570392
Energy: 0.6726385793953797
Energy: 2.0764412348798014
Energy: 0.6747338391052705
Energy: 0.6803222208291261
Energy: 0.674733839270711
Energy: 0.7253773127229584
Energy: 0.675314695667197
Energy: 0.8658998464798139
Energy: 0.675314695667197
Energy: 0.7887415834959128
Energy: 0.8131837313126865
Energy: 0.7923416719249049
Energy: 0.8131837313115607
Energy: 0.715271485633713
Energy: 0.6948426696813605
Energy: 0.8585268694572314
Energy: 0.694842669662785
Energy: 0.7811793989302004
Energy: 1.9966876374109344
Energy: 0.8700817230503243
Energy: 1.996475775448373
Energy: 0.695749294112531
Energy: 1.3699466091920443
Energy: 0.8701027714804473
Energy: 1.369946609267421
Energy: 0.6943648684191577
Energy: 0.6960258350457462
Energy: 0.799919976781221
Energy: 0.6960258350446203
Energy: 0.7008440158316128
Energy: 0.6963584242637197
Energy: 0.8659354042662885
Energy: 0.6963584236999533
Energy: 0.7995877618790556
Energy: 0.7041492742249885
Energy: 2.029108963586327
Energy: 0.7041492742266771
Energy: 1.991260276655949
Energy: 0.6987797656117202
Energy: 0.7021191390658476
Energy: 0.6987797656027137
Energy: 1.4760627833242932
Energy: 0.6985970161129961
Energy: 1.2435344046454486
Energy: 0.698597016109107
Energy: 0.8495935080662723
Energy: 0.6995296530912897
Energy: 0.7013217773287576
Energy: 0.6995296530890381

minimum gb energy = 0.6709948480885028 eV
minimum distance =  2.42265599689622 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 3.63482317938334
Energy: 0.6345056135245049
Energy: 0.7786659274217973
Energy: 0.6389763111802383
Energy: 0.6315498561757976
Energy: 0.691530807215903
Energy: 0.6469521832768712
Energy: 0.691530807215903
Energy: 0.6429825664401234
Energy: 0.6916700686673202
Energy: 0.6446085103977706
Energy: 0.6916700686673202
Energy: 0.631620045940321
Energy: 0.6935021078950871
Energy: 0.6481086835651451
Energy: 0.6935021078950871
Energy: 0.6464736996964598
Energy: 0.6375407523255281
Energy: 0.6402718180115041
Energy: 0.6375407523255281
Energy: 0.6406522963235745
Energy: 0.6372737647292701
Energy: 0.6404513962621845
Energy: 0.6372737647292701
Energy: 0.6394547162083958
Energy: 0.6396772920100633
Energy: 2.4119417743383225
Energy: 0.6396772920085905
Energy: 0.6492253701945117
Energy: 2.3079948328678768
Energy: 0.6323089445775572
Energy: 2.3079949707973078
Energy: 0.6403533356945914
Energy: 0.6406943393510185
Energy: 0.6326901423776412
Energy: 0.6406943393510185
Energy: 2.3807980397172264
Energy: 0.697049218116278
Energy: 2.17805205834769
Energy: 0.697049218116278
Energy: 0.6505727918359785
Energy: 0.6897567954016984
Energy: 0.6320323241721448
Energy: 0.6897567954002256
Energy: 0.6519200707751827
Energy: 0.6368819646598081
Energy: 2.148012005181168
Energy: 0.6368819646671723
Energy: 0.6401144762403287
Energy: 0.6391302672685016
Energy: 0.6434535166407429
Energy: 0.6391302672685016
Energy: 0.6487143034816707
Energy: 0.6376497866979804
Energy: 2.1542702839149723
Energy: 0.6376497866979804
Energy: 0.634829702012983
Energy: 2.2893253405262213
Energy: 0.6437579811072625
Energy: 2.289325436411848

minimum gb energy = 0.6315498561757976 eV
minimum distance =  0.901375921884343 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.6325271614533168
Energy: 2.0571813031870216
Energy: 0.7741513839458793
Energy: 2.932621279034621
Energy: 2.216543989325313
Energy: 0.61018287871106
Energy: 0.7070595283557817
Energy: 0.6101828787036523
Energy: 0.6166723508488444
Energy: 0.6081259127172992
Energy: 0.7172036320844585
Energy: 0.6081259127240897
Energy: 0.8145971185506925
Energy: 0.6116820512305609
Energy: 0.7097856709958641
Energy: 0.6116820561921561
Energy: 0.8099445541423478
Energy: 0.6096573438156715
Energy: 0.707246095336582
Energy: 0.6096573438150541
Energy: 0.7055841373266368
Energy: 0.6094220477850966
Energy: 0.7076554628664944
Energy: 0.6094220477894178
Energy: 1.2456893243291474
Energy: 0.6087335732214402
Energy: 0.8044021695783036
Energy: 0.6087335732226749
Energy: 0.7077231763589459
Energy: 2.0924603509885205
Energy: 0.7230536072808564
Energy: 2.0924603507157786
Energy: 0.6061058114853842
Energy: 0.6107148675574128
Energy: 2.2631808481046067
Energy: 0.6107148675685244
Energy: 0.6094752870424514
Energy: 0.6098525218170819
Energy: 2.9461855478445904
Energy: 0.6098525218226378
Energy: 0.6205548638204063
Energy: 0.6101822794335067
Energy: 0.6259793180779274
Energy: 0.6101822789812382
Energy: 0.7089995229361422
Energy: 0.6386235506494101
Energy: 1.5188159726071877
Energy: 0.6386235506413851
Energy: 1.9886737449060337
Energy: 0.6392989503648573
Energy: 1.4246482805023748
Energy: 0.6392989503704131
Energy: 0.808423922836677
Energy: 0.6346875791116514
Energy: 0.8167601026241182
Energy: 0.6346875791073301
Energy: 2.195891591928351
Energy: 0.6106677277417809
Energy: 0.8075194241052183
Energy: 0.6106677277423982
Energy: 2.168876114008748
Energy: 0.6088903218042993
Energy: 0.6131004553410278
Energy: 0.6088903218024473
Energy: 1.550285449695757
Energy: 0.6089695299387873
Energy: 0.6086358084469716
Energy: 0.6089695299455776
Energy: 0.6263679782253682
Energy: 1.3912884456522296
Energy: 0.6100019329389808
Energy: 1.3912884441441824
Energy: 0.7883981421494206
Energy: 0.611369708168801
Energy: 0.7012212295171613
Energy: 0.6113697081700356
Energy: 1.6052140045777588
Energy: 0.6079634935827322
Energy: 0.7184341498063963
Energy: 0.607963493582115
Energy: 0.8183666263514844
Energy: 0.6101540657729327
Energy: 0.7046422423990049
Energy: 0.6101540657457708
Energy: 1.6465625286291035
Energy: 0.6087752163789223
Energy: 0.7083577708670024
Energy: 0.6087752163813915
Energy: 0.7075738722303019
Energy: 0.6104194331306815
Energy: 0.7209909144865398
Energy: 0.6104194331325334
Energy: 0.6174988747582967
Energy: 0.6082090653834605
Energy: 0.8089517843396548
Energy: 0.608209065378522
Energy: 0.7059739859257935
Energy: 1.3679104950376773
Energy: 0.7205555433034875
Energy: 1.3679104947785725
Energy: 0.6115768007637477
Energy: 1.3298548925783162
Energy: 0.7198544280961121
Energy: 1.3298548924123144
Energy: 0.6100424397774984
Energy: 0.6097124178022864
Energy: 0.809334492511734
Energy: 0.6097124178078421
Energy: 0.6150252232163197
Energy: 0.611562476036084
Energy: 0.6257517306536665
Energy: 0.6115624760552208
Energy: 0.7062355997480056
Energy: 0.609216647546862
Energy: 2.268446401856974
Energy: 0.6092166475511832
Energy: 0.7179184164114985
Energy: 0.6348796058180843
Energy: 1.4389205329181356
Energy: 0.6348796058187017
Energy: 0.8053877866988445
Energy: 0.6365744765043272
Energy: 0.8645719079030549
Energy: 0.6365744765061793
Energy: 0.7222494597241224
Energy: 0.6089268622037116
Energy: 0.7021724700621614
Energy: 0.6089268622043289
Energy: 2.1750355091654106
Energy: 0.6105816083522003
Energy: 0.6184828832014213
Energy: 0.6105816083608427
Energy: 0.8099500642569258
Energy: 0.6078858968137922
Energy: 0.6079845174757109
Energy: 0.6078858968137922
Energy: 2.290018669851148
Energy: 1.3613719605828978
Energy: 0.6130833924843461
Energy: 1.361371317176379

minimum gb energy = 0.6061058114853842 eV
minimum distance =  0.922136920192663 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.8949076458510472
Energy: 0.5655037231738034
Energy: 0.5632885458632458
Energy: 1.8981286211039414
Energy: 0.8730810407756271
Energy: 0.559199253133031
Energy: 0.7225347331159901
Energy: 0.5591992531319689
Energy: 0.8711746698800424
Energy: 0.6236302742359975
Energy: 0.7211892052842342
Energy: 0.6236302742168801
Energy: 0.872053966944488
Energy: 1.9789990142886866
Energy: 0.7177232600703471
Energy: 1.9789990142886866
Energy: 0.8848316321796973
Energy: 0.6237149586385365
Energy: 0.7173695352895585
Energy: 0.6237149586374744
Energy: 1.6357579896893175
Energy: 0.5597643303696241
Energy: 1.8517712813414877
Energy: 0.5597643302369135
Energy: 0.5578495085138171
Energy: 0.5588235261246112
Energy: 0.8818390908920931
Energy: 0.5588235261256732
Energy: 0.5648720549216478
Energy: 1.7579153289489087
Energy: 0.8821043714711098
Energy: 1.7762748372308574
Energy: 0.5619038312336462
Energy: 0.5615317729390971
Energy: 0.8816284843159762
Energy: 0.5615317729390971
Energy: 0.5633727094471616
Energy: 0.559362239228057
Energy: 2.131377419279938
Energy: 0.5593622392269949
Energy: 0.5632885456020729
Energy: 1.898128621125159
Energy: 0.8949076458319299
Energy: 0.5655037231759276
Energy: 0.7225347331170523
Energy: 0.559199253133031
Energy: 0.8730810407798754
Energy: 0.559199253134093
Energy: 0.7211892052842342
Energy: 0.6236302742370595
Energy: 0.8711746698800424
Energy: 0.6236302742391837
Energy: 0.7177232600767196
Energy: 1.9789990142886866
Energy: 0.8720539669434259
Energy: 1.9789990142886866
Energy: 0.7173695352895585
Energy: 0.6237149586374744
Energy: 0.8848316321775731
Energy: 0.6237149586374744
Energy: 1.8517712813606049
Energy: 0.5597643305044347
Energy: 1.6357579895778485
Energy: 0.5597643305925626
Energy: 0.8818390908963414
Energy: 0.5588235261256732
Energy: 0.5578495085148792
Energy: 0.5588235261256732
Energy: 0.8821043713904165
Energy: 1.7763339632988724
Energy: 0.5648720549216478
Energy: 1.776285169503034
Energy: 0.8816284843149141
Energy: 0.5615317729390971
Energy: 0.5619038312347082
Energy: 0.5615317729390971
Energy: 2.131377379072921
Energy: 0.559362239228057
Energy: 0.5633727094471616
Energy: 0.559362239228057

minimum gb energy = 0.5578495085138171 eV
minimum distance =  2.44173215394529 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.9742370481652982
Energy: 0.5178332083883235
Energy: 0.5191092274811697
Energy: 0.5191050204204894
Energy: 1.467254548572115
Energy: 0.5166270999468396
Energy: 0.6525139876084621
Energy: 0.5166270999443517
Energy: 0.9532712233989095
Energy: 0.5158631284874537
Energy: 0.6524826618790863
Energy: 0.5158631284841365
Energy: 0.8341678077955903
Energy: 0.517211548198114
Energy: 0.7664446647774301
Energy: 0.517211446885523
Energy: 1.5374915965685805
Energy: 0.6344758863328238
Energy: 2.0143042916523477
Energy: 0.6344758863137491
Energy: 0.834563432589205
Energy: 0.567232019612288
Energy: 1.2586426852995443
Energy: 0.5672320196139468
Energy: 0.838101581146144
Energy: 0.509357072135925
Energy: 0.8945577103121003
Energy: 0.5093570721549621
Energy: 0.7799508644201809
Energy: 0.5105647496146452
Energy: 0.9515143293384976
Energy: 0.5105647496121949
Energy: 1.0146887174944093
Energy: 0.5068728879254681
Energy: 2.299328859345269
Energy: 0.5068728879238095
Energy: 0.6427355166326005
Energy: 0.5072888129523249
Energy: 2.299944136515944
Energy: 0.5072888129548129
Energy: 0.5751561946056454
Energy: 1.526568274513606
Energy: 0.971058293528393
Energy: 1.526568275053279
Energy: 0.5794822667107844
Energy: 0.5071042219814589
Energy: 2.295189285556455
Energy: 0.5071042219839469
Energy: 0.5762599400081961
Energy: 0.506839427451688
Energy: 2.8070440639929646
Energy: 0.5068394274492
Energy: 0.7088769522857826
Energy: 0.5128717144289914
Energy: 1.0065865210556977
Energy: 0.5128717144289914
Energy: 0.7089284912928595
Energy: 0.5061123272704461
Energy: 1.012527935778391
Energy: 0.5061123272712754
Energy: 0.705993936680873
Energy: 0.5061316005392915
Energy: 2.078833529912588
Energy: 0.5061316005392915
Energy: 0.893095907959349
Energy: 0.6244335250444131
Energy: 2.595340018819936
Energy: 0.6244335250634878
Energy: 0.7175284985577206
Energy: 0.6361209104185677
Energy: 0.7717987025435096
Energy: 0.6361209104210557
Energy: 0.8898973829720902
Energy: 0.5569351590091691
Energy: 0.8369537964318797
Energy: 0.5569351590091691
Energy: 1.0228804443075372
Energy: 0.5586967774385357
Energy: 0.8349278910916326
Energy: 0.5586967774393651
Energy: 0.9511167949372153
Energy: 0.5171797930589623
Energy: 0.6508614546597756
Energy: 0.517179793053157
Energy: 0.9019343681913546
Energy: 0.5165018381768367
Energy: 0.5803147000963835
Energy: 0.5165018381710313
Energy: 0.8360203296825488
Energy: 0.5176569091772476
Energy: 0.6472578776162519
Energy: 0.517656909178077
Energy: 0.9516780114412792
Energy: 0.5157546012666356
Energy: 0.5225661815052941
Energy: 0.5157546012799051
Energy: 1.0216682793955554
Energy: 0.5168384670527381
Energy: 0.5157504204229557
Energy: 0.5168384670543967
Energy: 0.9525356585282417
Energy: 0.5168531535785826
Energy: 0.5194578424428408
Energy: 0.5168531535843881

minimum gb energy = 0.5061123272704461 eV
minimum distance =  2.43599815162961 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.4429885274766403
Energy: 0.4754035787745051
Energy: 0.6830509514248537
Energy: 1.3022219016623386
Energy: 2.580296691709924
Energy: 0.46729574755665254
Energy: 0.5833167550182943
Energy: 0.4672957475546128
Energy: 2.3552022602341833
Energy: 0.47075818492711197
Energy: 0.5809303961127265
Energy: 0.4707581849257521
Energy: 0.9014994306889692
Energy: 0.4670026971942124
Energy: 0.7041089243941314
Energy: 0.46700269708208725
Energy: 1.841004645834762
Energy: 0.4690593082753217
Energy: 1.3979942911333925
Energy: 0.469059308298439
Energy: 0.8939647631336956
Energy: 0.5830311751566174
Energy: 0.793347168340732
Energy: 0.5830311751566174
Energy: 2.125499351585358
Energy: 0.5086789878330074
Energy: 0.9011835524544524
Energy: 0.5086789878200888
Energy: 0.7933117115355718
Energy: 0.5100976199178735
Energy: 0.7994647294208611
Energy: 0.5100976199008753
Energy: 0.6923356879364984
Energy: 0.6708582127219731
Energy: 2.238213316265154
Energy: 0.6708582127212933
Energy: 0.6913233285590349
Energy: 0.4694434071665278
Energy: 2.4691384270769334
Energy: 0.4694434071719672
Energy: 0.5883371951078602
Energy: 0.47104630820278
Energy: 2.283572162214148
Energy: 0.4710696652154059
Energy: 1.1465702797005588
Energy: 0.4664962504989553
Energy: 2.4759292884770336
Energy: 0.46649625049762644
Energy: 0.5797713792722279
Energy: 0.4676446632085486
Energy: 2.487081417215757
Energy: 0.46764466320922854
Energy: 0.47459413537226397
Energy: 1.3322131852390837
Energy: 0.9947863113324816
Energy: 1.3322131850766754
Energy: 0.46655059446095765
Energy: 0.4677401677418029
Energy: 2.638295026029351
Energy: 0.46774016774112304
Energy: 0.4714141465528911
Energy: 0.46859039865553903
Energy: 1.1019704858346817
Energy: 0.46859039863446145
Energy: 0.5864631223781627
Energy: 0.46993455596084066
Energy: 1.75382929082174
Energy: 0.46993455072096524
Energy: 0.5811383896801577
Energy: 0.46571865208637225
Energy: 0.9004707697034409
Energy: 0.465718652089092
Energy: 0.5811264292245494
Energy: 0.47311099621247654
Energy: 0.8966822508199043
Energy: 0.4731109961852797
Energy: 0.7937122706386992
Energy: 1.3888009525710445
Energy: 0.895104027277816
Energy: 1.3888009525561176
Energy: 1.972243136512683
Energy: 0.4693928997603565
Energy: 0.9955009889849716
Energy: 0.4693928997589966
Energy: 0.7964551501807283
Energy: 0.4700245605519741
Energy: 2.1077845065253045
Energy: 0.4700245605737316
Energy: 2.237218543613071
Energy: 0.6659390635415146
Energy: 0.8921009441088615
Energy: 0.6659390635421945
Energy: 0.798478621660597
Energy: 0.5846354636747202
Energy: 0.7956208509830534
Energy: 0.5846354636754001
Energy: 0.9954921013947512
Energy: 0.4694368027354228
Energy: 0.6986205851609838
Energy: 0.46943680267290094
Energy: 0.9979935232076645
Energy: 0.47040280760499686
Energy: 0.7930117956600884
Energy: 0.4704028076015972
Energy: 2.2470827625131418
Energy: 0.46795182830678006
Energy: 0.5816259662607389
Energy: 0.46795182744232194
Energy: 0.8995492815100612
Energy: 0.4668840020450451
Energy: 1.146445746881903
Energy: 0.46688400204368513
Energy: 1.0016113115177356
Energy: 0.46978773547137015
Energy: 0.5849557345708641
Energy: 0.4697877314935523
Energy: 0.9983120408228334
Energy: 1.3128303834165014
Energy: 0.4722199133800603
Energy: 1.3128303495000788
Energy: 1.6945976926254822
Energy: 0.4672553569589037
Energy: 0.46624840405004825
Energy: 0.46725535695958365
Energy: 2.375485642906152
Energy: 0.46900666584461737
Energy: 0.4731619075640785
Energy: 0.4690066656692904

minimum gb energy = 0.46571865208637225 eV
minimum distance =  2.45140908072849 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.0002358248948713
Energy: 2.0841892139488807
Energy: 0.6621016088507219
Energy: 2.6159261848029547
Energy: 2.427446622668818
Energy: 0.43893968257011484
Energy: 0.5352360854423817
Energy: 0.43893968257011484
Energy: 2.232463494302367
Energy: 0.4344248261203566
Energy: 0.5348294513872955
Energy: 0.4344248261779031
Energy: 2.068561900662141
Energy: 0.4362713679792641
Energy: 0.7279213332843579
Energy: 0.43627138112327846
Energy: 1.693702676457229
Energy: 0.43458738800286867
Energy: 0.7189522860041481
Energy: 0.43458738799826085
Energy: 2.0344863588281767
Energy: 0.5464474058237009
Energy: 0.7171173149335553
Energy: 0.5464474058185169
Energy: 0.8087041873552674
Energy: 0.5477892902891411
Energy: 0.8978923371332426
Energy: 0.5477892902730658
Energy: 0.902773920513218
Energy: 0.5474249026399869
Energy: 0.7203966317406778
Energy: 0.5474249026348029
Energy: 0.8061060425151099
Energy: 0.6365335718512674
Energy: 0.8948225948136113
Energy: 0.6365335718512674
Energy: 0.8046778111316744
Energy: 0.5491008928089897
Energy: 1.0712689028736013
Energy: 0.5491008928326051
Energy: 0.7264037226596586
Energy: 0.5448059939752427
Energy: 1.9537866490033808
Energy: 0.5448059939873384
Energy: 0.6285818603128748
Energy: 0.43635478815013856
Energy: 2.136483191281447
Energy: 0.4363547743768824
Energy: 0.7180611527169062
Energy: 0.4351890111226917
Energy: 1.073702106091152
Energy: 0.43518901107776453
Energy: 0.5398184981353907
Energy: 1.1649418273803767
Energy: 0.9023175601007587
Energy: 1.158230869605574
Energy: 1.0123976486027313
Energy: 0.43418421108904814
Energy: 2.3515825750421686
Energy: 0.43418421112879146
Energy: 0.5356127976867385
Energy: 0.43704152180955474
Energy: 1.0756652594529745
Energy: 0.4370415222217533
Energy: 0.44025710238026533
Energy: 0.43821068879890124
Energy: 1.0803651563700571
Energy: 0.438210688980809
Energy: 0.43490466782424414
Energy: 0.4352044038247352
Energy: 0.9912925267909195
Energy: 0.4352044038264631
Energy: 0.44002981457432605
Energy: 0.4383474151956268
Energy: 0.9907774347156739
Energy: 0.4383474148651663
Energy: 0.5367456895806731
Energy: 0.4377968439689537
Energy: 1.715664846285904
Energy: 0.43779684390219126
Energy: 0.5380322856422654
Energy: 0.43455390363181357
Energy: 1.7872282704809854
Energy: 0.43455390362490176
Energy: 0.5385675820494122
Energy: 1.2635017129437964
Energy: 0.9933843100711294
Energy: 1.2635017980285106
Energy: 0.7182445732973363
Energy: 0.4355192798432419
Energy: 0.9848967423682115
Energy: 0.4355192812209549
Energy: 1.2196470620459292
Energy: 0.43839600626525815
Energy: 1.6120666440488973
Energy: 0.43839600622205893
Energy: 0.7250661129998005
Energy: 0.5453186503516058
Energy: 0.8131559641336513
Energy: 0.5453186502157248
Energy: 1.9332877728655617
Energy: 0.5465628873449363
Energy: 1.6084323910507121
Energy: 0.5465628873495442
Energy: 0.7178467757505023
Energy: 0.6354679904069017
Energy: 1.4247858890860052
Energy: 0.6354679904069017
Energy: 0.9016361087150316
Energy: 0.547415262253346
Energy: 1.8143770760638254
Energy: 0.5474152622498901
Energy: 0.898465018131179
Energy: 0.5472835491954358
Energy: 0.8970629065916063
Energy: 0.5472835491919797
Energy: 0.8970105856656724
Energy: 0.5459596155953257
Energy: 1.232197930410303
Energy: 0.5459596155935977
Energy: 0.9912934845317053
Energy: 0.43429791375191845
Energy: 0.6286154764594565
Energy: 0.4342979137536464
Energy: 0.9013418171905272
Energy: 0.43695086825887264
Energy: 0.7262579222894319
Energy: 0.43695086875401357
Energy: 1.0739572585233972
Energy: 0.43488477223873195
Energy: 0.5337050604355574
Energy: 0.4348847722467435
Energy: 3.608408030003368
Energy: 0.435513543809527
Energy: 0.5328270186120537
Energy: 0.43551354381067897
Energy: 2.160095587656594
Energy: 0.4384653251950955
Energy: 0.44541847003955065
Energy: 0.4384650433564469
Energy: 2.3278880833790665
Energy: 0.4372366474317827
Energy: 0.4399347527878237
Energy: 0.43723664742717483
Energy: 1.160967457384321
Energy: 0.43792579895982137
Energy: 0.4367294853738729
Energy: 0.43792579895982137

minimum gb energy = 0.43418421108904814 eV
minimum distance =  2.44628110339151 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.062296801160367
Energy: 1.6554606650230244
Energy: 0.39451984047728594
Energy: 1.7944367425991572
Energy: 2.286300840989546
Energy: 0.39413301095708353
Energy: 0.48188172175920446
Energy: 0.39413301095658393
Energy: 1.0357867112084311
Energy: 0.39510642525502737
Energy: 0.4819669155070459
Energy: 0.3951064252470345
Energy: 0.8776578433514287
Energy: 0.39437107293336243
Energy: 0.6425124056368845
Energy: 0.3943710729453518
Energy: 1.039222568797085
Energy: 0.39349296951318385
Energy: 0.6429762448513131
Energy: 0.3934929695136834
Energy: 0.8778609088166796
Energy: 0.39477207858253516
Energy: 0.642664821807875
Energy: 0.3947720785835343
Energy: 0.8768007647678111
Energy: 1.1219009993122964
Energy: 0.7987642240136766
Energy: 1.1219009993177915
Energy: 0.9571566091423865
Energy: 0.3945071361090157
Energy: 0.6432222407186283
Energy: 0.3945071361190068
Energy: 1.8000444156144164
Energy: 0.5859927399050524
Energy: 0.7995862922122731
Energy: 0.5859927399050524
Energy: 1.349728092479462
Energy: 0.5845185628292869
Energy: 0.9566175773495799
Energy: 0.5845185628297865
Energy: 0.7991238207342076
Energy: 0.5838779623061072
Energy: 0.7979638118322543
Energy: 0.5838779623066067
Energy: 0.7215170627927998
Energy: 0.5851053752471158
Energy: 0.9572194229709489
Energy: 0.5851053752471158
Energy: 1.250791908917036
Energy: 0.3943639449345927
Energy: 0.9569007403596016
Energy: 0.3943639449595705
Energy: 0.6416766306461867
Energy: 0.3942890939019743
Energy: 0.7978241760920978
Energy: 0.39428909387849514
Energy: 0.5644691138898967
Energy: 0.39338677051867355
Energy: 1.1098585472163995
Energy: 0.39338677050820553
Energy: 0.6460280120059397
Energy: 0.3958699160266664
Energy: 0.9590422017689516
Energy: 0.3958699160251677
Energy: 0.4818861282905332
Energy: 1.6437096676170608
Energy: 0.9563829777775544
Energy: 1.6437096677164271
Energy: 0.48090376771200716
Energy: 0.39367878082326
Energy: 1.0382378673298378
Energy: 0.39367878082326
Energy: 0.4793286617159974
Energy: 1.6497880801842226
Energy: 2.042952125178894
Energy: 1.649788023526238
Energy: 0.3946832429171661
Energy: 0.3965049661247744
Energy: 1.585773539461415
Energy: 0.3965049659774734
Energy: 0.39393402893934154
Energy: 0.3939877610288648
Energy: 2.7316254389451307
Energy: 0.39398776102836525
Energy: 0.3952371585106713
Energy: 2.21934572301428
Energy: 1.0340027323446424
Energy: 2.219345722583867
Energy: 0.4821590181885661
Energy: 0.3945131555394328
Energy: 1.6602911260419784
Energy: 0.39451315553543637
Energy: 0.4791307360312174
Energy: 0.39464407231847015
Energy: 2.6894940036117356
Energy: 0.3946440723164719
Energy: 0.4797225729306962
Energy: 0.39481019330817874
Energy: 0.8779505984672267
Energy: 0.39481019379052296
Energy: 0.6417741554928349
Energy: 0.39379972977784733
Energy: 2.126619042930449
Energy: 0.3937997297603856
Energy: 0.6421386217410601
Energy: 0.39475730779920715
Energy: 1.4965971584641646
Energy: 0.39475730780368046
Energy: 0.7358901166135439
Energy: 0.3947970701696171
Energy: 0.8767797515213174
Energy: 0.3947970679430724
Energy: 1.6904675443056227
Energy: 0.393715801993055
Energy: 1.5891293459161582
Energy: 0.393715802026003
Energy: 1.6920143529864047
Energy: 0.5839052210491629
Energy: 0.8773490573735034
Energy: 0.583905221050162
Energy: 0.959067995136839
Energy: 0.5824540048198202
Energy: 0.721145480520803
Energy: 0.5824540048203197
Energy: 0.7980142081292038
Energy: 0.582772113774315
Energy: 0.8873931760768533
Energy: 0.582772113773316
Energy: 1.8719149588619013
Energy: 0.5836255006013855
Energy: 0.7183603516882981
Energy: 0.583625500601885
Energy: 1.1102949710231096
Energy: 0.39466927604475116
Energy: 0.7196033193911419
Energy: 0.39466927604575025
Energy: 0.7980578322111538
Energy: 0.3938716573892318
Energy: 0.6427356626997921
Energy: 0.39387165738973134
Energy: 2.037698112146831
Energy: 0.3945842454454492
Energy: 1.0796399185097987
Energy: 0.3945842454394545
Energy: 1.5840085191169972
Energy: 0.3939965353751444
Energy: 0.6419503438413193
Energy: 0.3939965353776421
Energy: 0.9561083548610311
Energy: 0.39457865104946305
Energy: 0.48001842407213996
Energy: 0.3945786495165067
Energy: 2.209024810905806
Energy: 0.3947174266675749
Energy: 0.4794072492460751
Energy: 0.3947174266665985
Energy: 1.1098827525469759
Energy: 0.3948396203235543
Energy: 0.48303494384610574
Energy: 0.3948396203245534
Energy: 0.9559119303117871
Energy: 1.049005103907955
Energy: 0.39463748127994874
Energy: 1.030818373308128
Energy: 1.6598282407113663
Energy: 0.39391678771345356
Energy: 0.39374750973734646
Energy: 0.3939167877124545
Energy: 1.033621962682987
Energy: 0.39708926739931466
Energy: 0.3938520470652515
Energy: 0.3970892675546085

minimum gb energy = 0.39338677050820553 eV
minimum distance =  2.45306852435689 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014775089898859449
Energy: 0.016281382776053992
Energy: 0.9347407754161329
Energy: 4.314835066416145
Energy: 0.015436215771505645
Energy: 0.0875388793947656
Energy: 0.673085034823018
Energy: 0.08753887939214139
Energy: 0.015486481590127036
Energy: 4.329386636376634
Energy: 0.6711418696791567
Energy: 4.32938672902698
Energy: 0.016409165545439634
Energy: 4.324381361975814
Energy: 0.6740436153640147
Energy: 4.324380930415208
Energy: 4.363588201079168
Energy: 0.08898428862166853
Energy: 0.6748022087886714
Energy: 0.08898428862053777
Energy: 0.015235348639129537
Energy: 4.320597124399184
Energy: 0.6710862967789479
Energy: 4.320594431238517

minimum gb energy = 0.014775089898859449 eV
minimum distance =  0.892419064890594 Angstroms
sigma value = 1