Model name: model_name=EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000702440739
cohesive_energy=3.5182750832796934
mass=63.546
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=[1.028240113638618e-19, 1.82494327319136e-19, 2.37373683563538e-19, 2.822234140791e-19, 3.2109542357320795e-19, 3.55710449750778e-19, 3.86577984781422e-19, 4.1270467915205993e-19, 4.352633261587799e-19, 4.5539467556499e-19, 4.7345120623017e-19, 4.8946015515709795e-19, 5.035112442372779e-19, 5.15723034541626e-19, 5.26225302377496e-19, 5.351494262288759e-19, 5.42618773696584e-19, 5.487503036749019e-19, 5.53660975058112e-19, 5.574709510937639e-19, 5.60284373263068e-19, 5.62198974340698e-19, 5.63294863158354e-19, 5.636457398411999e-19, 5.6319713038368e-19, 5.614523600292539e-19, 5.577561385346159e-19, 5.5180885886920795e-19, 5.43836427938424e-19, 5.34160883245698e-19, 5.231939841859679e-19, 5.11405168512996e-19, 4.98839297172534e-19, 4.8519516095739e-19, 4.700946461819399e-19, 4.53066712915788e-19, 4.3352656668752394e-19, 4.10745217128678e-19, 3.8378699308499396e-19, 3.50618732407926e-19, 3.08518336996308e-19, 2.57174984583144e-19, 1.96894690905528e-19, 1.262761922793636e-19, 4.213676482120979e-20, -6.41724613745922e-20, -2.0289324022322398e-19, -3.6783091598698797e-19, -5.685243676917299e-19, -8.3774772056255395e-19, -1.2402433302027658e-18, -1.8455472647046e-18, -3.70445668253676e-18, -1.269122564030616e-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: 0.013568464009327584
Energy: 0.01382413262306063
Energy: 0.013889407540317464
Energy: 0.013832579167823785
Energy: 0.5984020694462561
Energy: 0.013951061496107933
Energy: 0.013824132623374235
Energy: 0.1053763892780668
Energy: 0.1054473229379913
Energy: 0.10544689125048072
Energy: 0.10537688724288108
Energy: 0.10542365723611598
Energy: 0.013889407540596227
Energy: 0.10544732293771254
Energy: 0.10539941177054396
Energy: 0.013810033119364165
Energy: 0.10550764875831645
Energy: 0.10605688461824508
Energy: 0.013832579167510175
Energy: 0.10544689124926111
Energy: 0.01381003311964293
Energy: 0.013769062777052274
Energy: 0.10533947787543113
Energy: 0.014019228286579168
Energy: 0.5984020694444092
Energy: 0.10537688724288108
Energy: 0.10550764875831645
Energy: 0.10533947787452518
Energy: 0.1053210882838457
Energy: 0.10541819095207655
Energy: 0.013951061496700303
Energy: 0.10542365723517516
Energy: 0.10605688461793146
Energy: 0.014019228286265562
Energy: 0.10541819095207655
Energy: 0.01402013388087861

minimum gb energy = 0.013568464009327584 eV
minimum distance =  2.55230259531596 Angstroms
sigma value = 1


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

Energy: 1.4139943864836773
Energy: 0.954498109960013
Energy: 0.9704993623585588
Energy: 0.9989582486844194
Energy: 0.9871900509580348
Energy: 0.9877502246271094
Energy: 1.3972878556547537
Energy: 0.9691596723663861
Energy: 0.9758918189439719
Energy: 0.9696449251943915
Energy: 0.969522062565005
Energy: 0.9682222384248089
Energy: 1.307649791361197
Energy: 0.9742066043417643
Energy: 0.9706996420700421
Energy: 0.9770863325189516
Energy: 0.9746488537831752
Energy: 0.9684573789460975
Energy: 1.0493513970085648
Energy: 0.9397930111849955
Energy: 0.945762185470871
Energy: 0.9764147869738932
Energy: 0.9808893587445771
Energy: 0.9345623361687309
Energy: 1.3264542630260052
Energy: 0.9777751446855487
Energy: 0.9692310481909343
Energy: 0.9657257455119936
Energy: 0.9799700985895751
Energy: 0.9664655833384778
Energy: 1.3114891729410327
Energy: 0.9735169090458226
Energy: 0.9742863153267859
Energy: 0.9635292349859268
Energy: 0.9756537485845366
Energy: 0.977035241817685
Energy: 1.3049944639883722
Energy: 0.9743610177820641
Energy: 0.973699526358104
Energy: 0.9613389971163204
Energy: 0.9740199766742025
Energy: 0.9760111238313653
Energy: 1.1972233473765743
Energy: 0.9663689692672756
Energy: 0.9645830269932004
Energy: 0.9071697874527379
Energy: 0.9411024406081198
Energy: 0.973207113149122
Energy: 1.041315094937442
Energy: 0.9688490927421188
Energy: 0.9721887182701929
Energy: 0.9762547521548701
Energy: 0.9709867299624947
Energy: 0.9720688422194259
Energy: 1.0413300779597625
Energy: 0.9633193075392804
Energy: 0.9667206374448285
Energy: 0.9737176828457214
Energy: 0.9638964120764872
Energy: 0.9692356927083646
Energy: 1.0503609696726643
Energy: 0.9404811958154133
Energy: 0.9379345862345542
Energy: 0.9991011398563158
Energy: 0.9766564761719393
Energy: 0.9415100136243785
Energy: 0.9687819166102888
Energy: 0.9634065466654638
Energy: 0.9665532574695531
Energy: 0.9689457164399918
Energy: 0.9684694816262408
Energy: 0.9692240691634406
Energy: 0.9689572289004128
Energy: 0.966663548602176
Energy: 0.9668332843283521
Energy: 0.9689006234282728
Energy: 0.9636992342279741
Energy: 0.9744181018808314
Energy: 1.0710065949263332
Energy: 0.969542919201244
Energy: 0.9347135919669096
Energy: 0.9906851986798363
Energy: 0.9755299319292692
Energy: 0.9250130743419027
Energy: 0.9970983721053458
Energy: 0.9687963739253267
Energy: 0.9673601366193061
Energy: 0.9698150810621987
Energy: 0.9669675172534401
Energy: 0.9748119242489348
Energy: 0.9956880472412061
Energy: 0.9758079525565284
Energy: 0.9709525977909063
Energy: 0.974778401739751
Energy: 0.9780105968120724
Energy: 0.9752139232456124
Energy: 1.1866564099418062
Energy: 0.9690793874919005
Energy: 0.9709963799771257
Energy: 0.9767735539113946
Energy: 0.9661604583914447
Energy: 0.976534235636948
Energy: 1.1419505510528507
Energy: 0.9790790040708441
Energy: 0.9752824770658787
Energy: 0.9681904593563684
Energy: 0.9474911174275387
Energy: 0.9689489575830637
Energy: 1.1565928505611265
Energy: 0.9718859724214961
Energy: 0.970462469064813
Energy: 0.9638417063434668
Energy: 0.9686151063224337
Energy: 0.9744377690952221
Energy: 1.3108959050907059
Energy: 0.9750698859340039
Energy: 0.9718045087373456
Energy: 0.9729522080521062
Energy: 0.9692212710559843
Energy: 0.9765136070961743
Energy: 1.4029888554010748
Energy: 0.9439764860942046
Energy: 0.9377530057707646
Energy: 0.9726309017308282
Energy: 0.9583387105734409
Energy: 0.9376268495172488
Energy: 1.354708946151881
Energy: 0.9639400246176496
Energy: 0.9750516544199336
Energy: 0.9743671135286511
Energy: 0.9861583841232191
Energy: 0.971935995680583
Energy: 1.3974797848061513
Energy: 0.9756076163836083
Energy: 0.9747479937995887
Energy: 0.962058575903789
Energy: 0.9692880606180276
Energy: 0.9680523856961114

minimum gb energy = 0.9071697874527379 eV
minimum distance =  2.32451706941325 Angstroms
sigma value = 33


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

Energy: 1.6686343615087391
Energy: 1.0297774691862864
Energy: 0.9905219569823001
Energy: 0.9962701617385912
Energy: 0.9986368656933491
Energy: 1.0534387942414438
Energy: 1.0452637855418125
Energy: 0.9841919158420519
Energy: 1.0095200185368658
Energy: 1.0019609780883199
Energy: 0.9811507124519975
Energy: 1.0088164373922854
Energy: 1.0381616647238097
Energy: 0.9815418126359475
Energy: 0.9990409975219141
Energy: 1.0653330718497098
Energy: 0.9958260112227919
Energy: 1.0074090067731813
Energy: 1.392258933413239
Energy: 1.0822816052534465
Energy: 0.9984586019202941
Energy: 1.0632856929045966
Energy: 1.0000175463873662
Energy: 1.0081420301930715
Energy: 0.9759570447486473
Energy: 1.0829053315704993
Energy: 0.9972385740659465
Energy: 0.9955792309205231
Energy: 0.9941452598286851
Energy: 1.0839843563022529
Energy: 1.066756378760034
Energy: 1.1008024253333033
Energy: 1.1063601685899371
Energy: 1.1205274233541458
Energy: 1.0934208530432725
Energy: 1.1187096734664292
Energy: 1.06282606721902
Energy: 1.1084128175380898
Energy: 1.116045334069062
Energy: 1.059280394370002
Energy: 1.0444660506965395
Energy: 1.0661589729790233
Energy: 1.0788970364518002
Energy: 1.0581081308893483
Energy: 1.0513647676579145
Energy: 1.0854530739284554
Energy: 1.0450081468273085
Energy: 1.0464775458335949
Energy: 1.0876880435101697
Energy: 1.065224228872332
Energy: 1.0540731615193861
Energy: 1.0382012707641306
Energy: 1.0393691289916576
Energy: 1.0537161730743783
Energy: 1.0871476680776293
Energy: 1.047676713382054
Energy: 1.0447978517194778
Energy: 1.0297964343660047
Energy: 1.0496134030484752
Energy: 1.0468649402373076
Energy: 1.0632949783163743
Energy: 1.0120982047459655
Energy: 0.9603781240361824
Energy: 1.049596721154427
Energy: 0.9670750614444465
Energy: 0.9208684980202488
Energy: 1.0286528696795882
Energy: 1.0210407721632278
Energy: 1.0504370364395965
Energy: 1.0288613109099203
Energy: 0.998570674298985
Energy: 1.0347045624563984
Energy: 1.0292177503309532
Energy: 1.053594924241357
Energy: 1.0521662231705537
Energy: 1.0297908511947684
Energy: 1.0533816771627194
Energy: 1.0369254933480203
Energy: 1.081482973686823
Energy: 1.0081976075415595
Energy: 1.008185486939579
Energy: 1.0502393942935815
Energy: 1.0486668124333987
Energy: 1.007650389577084
Energy: 1.039283963846438
Energy: 1.1036999470422815
Energy: 1.1060257549055021
Energy: 1.0424654479166824
Energy: 1.042708926613755
Energy: 1.0671707920042175
Energy: 1.101378299483379
Energy: 1.12052295740145
Energy: 1.1178260050030067
Energy: 1.0942768826031983
Energy: 1.1208980505538302
Energy: 1.0689505499822476
Energy: 1.0804069041238242
Energy: 1.11837919503281
Energy: 1.0962964433142846
Energy: 1.0819966930070448
Energy: 1.1191796902521305
Energy: 1.0854200774440677
Energy: 1.0543207141780586
Energy: 1.117165615024392
Energy: 1.112373409848295
Energy: 1.041172674548651
Energy: 1.096537368723932
Energy: 1.0452641112187995
Energy: 1.0606492403102765
Energy: 1.0972995663931904
Energy: 1.0936472159872455
Energy: 1.0361784085109282
Energy: 1.0780164081289958
Energy: 1.0934789144366235
Energy: 1.095783176697102
Energy: 1.090289712253252
Energy: 1.0738486054616352
Energy: 1.1024430617754883
Energy: 1.0729423308562096
Energy: 1.0926126963093807
Energy: 1.534940708199752
Energy: 1.0731098193001891
Energy: 0.9208931362591216
Energy: 1.00169387438339
Energy: 1.0702362795524036
Energy: 0.967155482080238
Energy: 0.9861226993242439
Energy: 1.072570663493867
Energy: 1.0736079831115524
Energy: 0.9999970912324618
Energy: 1.0722083350510212
Energy: 1.0707463196249412
Energy: 1.1546057867776582
Energy: 1.0730909895675336
Energy: 1.073294026373436
Energy: 1.0890644227843982
Energy: 1.07291326768699
Energy: 1.0767210256178896
Energy: 1.402807992129855
Energy: 1.1667788969093238
Energy: 1.1739406240090229
Energy: 1.0079922883005115
Energy: 1.1670219748821304
Energy: 1.0629419518561922
Energy: 1.1067513513402043
Energy: 1.0915992336252118
Energy: 1.0978669811802055
Energy: 1.0975373712633765
Energy: 1.0889623932459285
Energy: 1.106575313126398
Energy: 1.0954293797027683
Energy: 1.1086296623234944
Energy: 1.1146301391650386
Energy: 1.1183175972965522
Energy: 1.0983064113263485
Energy: 1.1185134381223736
Energy: 1.0692403397606622
Energy: 1.0261812046307226
Energy: 1.027488064447004
Energy: 1.1118595357390586
Energy: 1.0221509836976541
Energy: 1.0990476827765336
Energy: 1.0777925312741663
Energy: 1.0652888511228413
Energy: 1.0523057815414474
Energy: 1.0917751237594644
Energy: 1.0396310403842492
Energy: 1.109592361142374
Energy: 1.0911142180907754
Energy: 1.0662325761854397
Energy: 1.044456367415798
Energy: 1.0370574041499183
Energy: 1.0443702021707209
Energy: 1.0572631701680937
Energy: 1.0873917511692832
Energy: 1.0457323672766508
Energy: 1.0492177247155647
Energy: 1.030632306864844
Energy: 1.0605345925919585
Energy: 1.030446821786924
Energy: 1.0362621757318646
Energy: 1.0024283712098052
Energy: 0.9673476919825734
Energy: 1.0472595706937395
Energy: 1.0228786359342696
Energy: 1.0065720070441708
Energy: 1.0378364856350635
Energy: 0.9981964049636756
Energy: 0.9998758692332625
Energy: 1.037787228516328
Energy: 1.0209675708017611
Energy: 1.0285507681758546
Energy: 1.0291982692035324
Energy: 1.0539824559408109
Energy: 1.046192856278322
Energy: 1.0295080349528636
Energy: 1.052501160722029
Energy: 1.0338025215213504
Energy: 1.0398019238178666
Energy: 1.0315931801050935
Energy: 1.0315102968486909
Energy: 1.0398109552643913
Energy: 1.0078703451726565
Energy: 1.0320739736138733
Energy: 1.038195044795654
Energy: 1.0595553342127346
Energy: 1.0553200987712053
Energy: 1.0806829181476265
Energy: 1.1166019075231783
Energy: 1.0878446083348507
Energy: 1.1368394895012535
Energy: 1.079759278232376
Energy: 1.0840762001781648
Energy: 1.1130660373504335
Energy: 1.1180569110856207
Energy: 1.1136136879168124
Energy: 1.0436103712512452
Energy: 1.120752462943136
Energy: 1.0126926163014198
Energy: 0.9799534178657118
Energy: 1.013361415269112
Energy: 1.0848550842917726
Energy: 1.0621417387977847
Energy: 1.108253071649566
Energy: 1.0111766844272498
Energy: 1.0360750680940243
Energy: 1.0108325440129826
Energy: 1.109599587517676
Energy: 1.1661846899452444
Energy: 0.9920262183707846
Energy: 1.013610935273958
Energy: 1.0411309754827192
Energy: 0.9938816602551231
Energy: 1.0541536062096195
Energy: 1.1231024335448963
Energy: 0.9812073584655769
Energy: 1.0060516275950735
Energy: 1.0142779378112805
Energy: 0.980897410300305
Energy: 1.0075015079761014
Energy: 1.0456103266296148
Energy: 0.9930398446569637
Energy: 0.9728522472658487
Energy: 0.9979333718207057
Energy: 0.9896323677494512
Energy: 1.0439766415674374

minimum gb energy = 0.9208684980202488 eV
minimum distance =  2.23652901647511 Angstroms
sigma value = 51


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

Energy: 1.4616474140344093
Energy: 0.9345456153762376
Energy: 0.9338334472150409
Energy: 1.004830119082361
Energy: 1.0623899035431323
Energy: 1.0038800297966262
Energy: 1.1827764290199536
Energy: 0.9950691654883415
Energy: 0.9972948498734721
Energy: 1.0127786255153144
Energy: 0.9979728590806363
Energy: 1.0416156667986074
Energy: 1.330730587834951
Energy: 0.9952632402719529
Energy: 0.9947538231104937
Energy: 1.0164652566125263
Energy: 0.9954031088945323
Energy: 1.031399162456541
Energy: 1.3202599573622635
Energy: 0.9955619043244902
Energy: 0.9953237074365197
Energy: 1.0367707869186187
Energy: 0.9955343016480139
Energy: 0.9858049881645258
Energy: 1.2367349495352244
Energy: 0.995807762176688
Energy: 1.0313022598299364
Energy: 1.000383362042888
Energy: 0.9961479583236252
Energy: 1.016256494609215
Energy: 1.1165363911961188
Energy: 1.0383390818774312
Energy: 1.0246422967909092
Energy: 1.0280158505475832
Energy: 1.02670043746884
Energy: 1.0175077620408985
Energy: 1.1161514847036984
Energy: 0.9473702976922167
Energy: 1.0165916269876372
Energy: 1.0281628892227255
Energy: 1.0004861889959333
Energy: 1.030317191449719
Energy: 1.0740451193155764
Energy: 1.025443672175579
Energy: 0.956734862442855
Energy: 0.996597147223627
Energy: 1.059981089660299
Energy: 0.9564819118766246
Energy: 0.9958410275051808
Energy: 1.0715471003373833
Energy: 1.0080443093298188
Energy: 0.9959642452137852
Energy: 1.0123346033209983
Energy: 1.0100876747314866
Energy: 0.9949885517596836
Energy: 1.018182013623118
Energy: 0.9957660009952727
Energy: 0.9950259927064102
Energy: 1.0166100623394747
Energy: 0.9953450038174027
Energy: 1.0208440108546353
Energy: 0.978771997987777
Energy: 0.9861984384820566
Energy: 1.0208263164042932
Energy: 0.9767954499342518
Energy: 0.986690889269596
Energy: 1.0256653063730945
Energy: 1.0176249620633535
Energy: 0.995690245681965
Energy: 0.9952658530175469
Energy: 1.0162960030932602
Energy: 0.9955552137844357
Energy: 1.024491854727477
Energy: 1.0409973767154748
Energy: 1.0119530215865007
Energy: 1.0104979098108118
Energy: 1.0600876478321783
Energy: 1.0111859938930996
Energy: 1.0258798890806193
Energy: 0.9885526596293699
Energy: 0.9878783263440878
Energy: 0.9953210180972352
Energy: 1.0418561430565936
Energy: 0.9886618529334152
Energy: 1.1837539592934077
Energy: 1.0120429617948057
Energy: 1.0120246512822546
Energy: 1.053355499302502
Energy: 1.0107390765190747
Energy: 1.0238704350524974
Energy: 1.1832559018957782
Energy: 0.9955868554260691
Energy: 0.9958093071228858
Energy: 0.9204947193886703
Energy: 0.9953967257197669
Energy: 1.0135266481876848
Energy: 1.2388935936575411
Energy: 0.9953777561609525
Energy: 1.0105092162544935
Energy: 1.0241433289658617
Energy: 0.9954581211974943
Energy: 1.0312581226072872
Energy: 1.4543425319385799
Energy: 0.9981771119977031
Energy: 0.980733528969305
Energy: 0.9390623417670084
Energy: 0.9956192103530105
Energy: 1.004118023670322

minimum gb energy = 0.9204947193886703 eV
minimum distance =  2.32540991812555 Angstroms
sigma value = 19


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

Energy: 1.215102418394444
Energy: 0.951791627866214
Energy: 1.0625260411658373
Energy: 1.0767271549662603
Energy: 0.9178077164156997
Energy: 1.0637580215698283
Energy: 1.2569044560066367
Energy: 0.9372021452910013
Energy: 0.9367268623812464
Energy: 0.9685917954433538
Energy: 0.9372919614830926
Energy: 0.9373440657749131
Energy: 1.0991692936724815
Energy: 0.9365208691865567
Energy: 0.9369238707975863
Energy: 0.9169689948565893
Energy: 0.9370408222098249
Energy: 0.9369167578521469
Energy: 1.0590331115524951
Energy: 0.9376146902536823
Energy: 0.9371767844810849
Energy: 0.9913080058708814
Energy: 0.9373026817670916
Energy: 0.9375096226059517
Energy: 1.0647936070718507
Energy: 0.936666156959321
Energy: 0.9366942095221978
Energy: 0.9179746366206866
Energy: 0.9356498132719282
Energy: 0.96901665722409
Energy: 1.1004155445888963
Energy: 0.9018220040310162
Energy: 0.9682825556487977
Energy: 1.0018983307746139
Energy: 0.9018544212171422
Energy: 0.9679433013589303
Energy: 1.0978935203367446
Energy: 0.9172186693020716
Energy: 0.9687830594748829
Energy: 1.0028444123539197
Energy: 0.9173568395656222
Energy: 0.9689646651718049
Energy: 1.0630013740989184
Energy: 0.9016447004764622
Energy: 0.9025688413588802
Energy: 1.063303899016678
Energy: 0.9017677149445578
Energy: 0.9020955467573687
Energy: 0.9373920227432845
Energy: 0.9450946473477252
Energy: 0.9021680414474286
Energy: 0.9372721807304318
Energy: 0.9451316159154384
Energy: 0.9019436032064029
Energy: 0.9359853454414332
Energy: 0.9169190822673532
Energy: 0.935781510781184
Energy: 0.9362803248692445
Energy: 0.9183773158716787
Energy: 0.9377968107553097
Energy: 0.9375979760176767
Energy: 0.9915827067170555
Energy: 0.9916959619582397
Energy: 0.9372146135674966
Energy: 0.9917129070573911
Energy: 0.936863317067711
Energy: 1.0993330627446691
Energy: 0.9180440685810174
Energy: 0.9684937154779063
Energy: 0.937395678273228
Energy: 0.918337355998064
Energy: 0.9367678611877159
Energy: 0.9017690296794032
Energy: 0.9667933575254907
Energy: 0.9682921623242197
Energy: 0.9017964508625635
Energy: 1.003227300594475
Energy: 1.0021402499818013
Energy: 1.0992423587160132
Energy: 1.0007733206940927
Energy: 1.0019426530022517
Energy: 0.9366829693311477
Energy: 1.0004050040489942
Energy: 1.0027627891112214
Energy: 1.217454974157949
Energy: 0.9369997661080008
Energy: 0.9369792385024338
Energy: 0.9449562310414591
Energy: 0.936568178830542
Energy: 0.9018747612479844
Energy: 1.2179623198298564
Energy: 0.9365152997934598
Energy: 0.9018697332766832
Energy: 0.9018122578265457
Energy: 0.9367555133504372
Energy: 0.9019481787677215
Energy: 1.0971665718165664
Energy: 0.9368754105705064
Energy: 0.936691693114277
Energy: 0.9176330493107521
Energy: 0.9363639544906811
Energy: 0.9356988201782726
Energy: 1.0581031092283093
Energy: 0.9374730683482512
Energy: 0.9370372875573745
Energy: 0.9913970434417299
Energy: 0.937202295566183
Energy: 0.9374965859803247
Energy: 1.0580502787542303
Energy: 0.9365544051207569
Energy: 0.9371511187315742
Energy: 0.9918673066129388
Energy: 0.9366897870963262
Energy: 0.9367945060996267
Energy: 1.0980771088697425
Energy: 0.9018461651155983
Energy: 1.0073901992672207
Energy: 0.9686846553367421
Energy: 0.9018027162745673
Energy: 0.9678360633493527
Energy: 1.0685894254365553
Energy: 0.936575341916287
Energy: 0.9669473755840479
Energy: 1.0017923070647652
Energy: 0.936096954228856
Energy: 1.001372016083961
Energy: 1.0988704701265928
Energy: 0.9171916127039068
Energy: 0.9685440981766178
Energy: 0.9360392060156941
Energy: 0.9177323017420904
Energy: 0.9375073461557049
Energy: 1.07211691492566
Energy: 0.9020142517191382
Energy: 0.9018317545055119
Energy: 1.0755357529510992
Energy: 0.9018952945858579
Energy: 0.9019727858999925
Energy: 0.9374630785926351
Energy: 0.9686129798418149
Energy: 0.9379221880322537
Energy: 0.9374215721388699
Energy: 0.9906146586005133
Energy: 0.936913212872956
Energy: 0.9372927506299217
Energy: 0.9173021613056662
Energy: 0.9360357274912733
Energy: 0.9367738788044876
Energy: 0.917851238474303
Energy: 0.9387935738501114
Energy: 1.0647412675365322
Energy: 0.9912841601842055
Energy: 0.9918325539086577
Energy: 0.9371379057976326
Energy: 0.9919113013787567
Energy: 0.9370910795716408
Energy: 1.1380233014556886
Energy: 0.9175923037970577
Energy: 0.9689731162898172
Energy: 0.9357157051613159
Energy: 0.9175127241984404
Energy: 0.9368873065080479
Energy: 0.9018167849699787
Energy: 1.0033890573338107
Energy: 0.966710406615125
Energy: 0.9018358667986176
Energy: 1.0022398065251612
Energy: 0.9684268615640786
Energy: 1.0653050915418834
Energy: 1.0065383656181095
Energy: 0.9681274315820705
Energy: 0.917207714449385
Energy: 1.0026869475929792
Energy: 0.9676474264056816
Energy: 1.2170391049671276
Energy: 0.9372060745714127
Energy: 0.902273829045488
Energy: 0.901779698088311
Energy: 0.9361426204191786
Energy: 0.9018644039975905

minimum gb energy = 0.9016447004764622 eV
minimum distance =  2.41065564166296 Angstroms
sigma value = 27


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

Energy: 1.0590415797938348
Energy: 1.041780682319623
Energy: 1.0424408691320508
Energy: 0.977280039153811
Energy: 0.9481263937019568
Energy: 1.0400645455042272
Energy: 1.2452775288524385
Energy: 0.9487404564695769
Energy: 0.949459482167114
Energy: 0.903733063349725
Energy: 0.9487326856596977
Energy: 0.895619026743611
Energy: 0.9811616251476091
Energy: 0.9388528686211548
Energy: 0.9385441024944323
Energy: 0.9157351402809601
Energy: 0.937973808117462
Energy: 0.9442944717423658
Energy: 0.9818656543699065
Energy: 0.9384884744912143
Energy: 0.9386743885805133
Energy: 0.9256204575028585
Energy: 0.938572296621401
Energy: 0.8939006084088196
Energy: 1.084165797218168
Energy: 0.995736515729787
Energy: 0.9224187248162797
Energy: 0.9004742861153083
Energy: 0.9833522802054735
Energy: 0.8946750074269488
Energy: 0.9485535469728836
Energy: 0.9745186953073934
Energy: 0.9753588449682206
Energy: 0.9479495624612742
Energy: 0.9750768175352215
Energy: 0.843605557121139
Energy: 0.9565135636457225
Energy: 0.8932088104712873
Energy: 0.8945440939718223
Energy: 0.9557546750989079
Energy: 0.9247119186341353
Energy: 0.9384108980458724
Energy: 0.9786139167509148
Energy: 0.905630978719045
Energy: 0.9713554260559174
Energy: 0.9783114659733617
Energy: 0.9249172119643468
Energy: 0.9118243635606805
Energy: 0.9806363963207987
Energy: 0.9224131977888812
Energy: 0.893556347379681
Energy: 0.9487992803901739
Energy: 0.9228091803739578
Energy: 0.8936722335983234
Energy: 0.8898675449095474
Energy: 0.9096022776625583
Energy: 0.9305916381731338
Energy: 0.9516114401156374
Energy: 0.9467798686255212
Energy: 0.9537352035672727
Energy: 0.9815471939045498
Energy: 0.9427629968659043
Energy: 0.9441149011425077
Energy: 0.9384763983044315
Energy: 0.9428229134739686
Energy: 0.9429277157879639
Energy: 1.245277528806215
Energy: 0.9522485420045098
Energy: 0.9544956581968308
Energy: 0.9117028188905654
Energy: 0.9509562322993725
Energy: 0.9303833079970688

minimum gb energy = 0.843605557121139 eV
minimum distance =  2.30868402355124 Angstroms
sigma value = 9


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

Energy: 1.5875874502750786
Energy: 1.0424988845253984
Energy: 0.9921535539527921
Energy: 0.9526998443804725
Energy: 1.0722298716220635
Energy: 0.9541276454119625
Energy: 0.799727184202769
Energy: 0.8366809674875569
Energy: 0.8365470015170329
Energy: 0.8120184196610631
Energy: 0.8366956818177899
Energy: 0.8170934283971621
Energy: 0.8487965477044082
Energy: 0.8381405006672521
Energy: 0.8276634963623554
Energy: 0.844469591788731
Energy: 0.8372125273863736
Energy: 0.8367089396724728
Energy: 0.8483591976238212
Energy: 0.8367250081141496
Energy: 0.8226648319009706
Energy: 0.8267321067958323
Energy: 0.8995083284959362
Energy: 0.8492844792551918
Energy: 1.0809529035666603
Energy: 0.835569142184756
Energy: 0.8235222969187473
Energy: 0.8644970864187301
Energy: 0.8356149244454972
Energy: 0.8049381151449323
Energy: 0.8644855994546725
Energy: 0.7894039977029802
Energy: 0.823860186694177
Energy: 0.8644354366030882
Energy: 0.7930741673672533
Energy: 0.8577460416107104
Energy: 0.8637913436794754
Energy: 0.8054662820511798
Energy: 0.8049707789418021
Energy: 0.8641761478196046
Energy: 0.8290842982367909
Energy: 0.8628735473792851
Energy: 0.8730867925476155
Energy: 0.8165961420641669
Energy: 0.9003468623698894
Energy: 0.8727431209977666
Energy: 0.8153436268521534
Energy: 0.8751064842808899
Energy: 1.1031942113178328
Energy: 0.8493461451538391
Energy: 0.8244953168559872
Energy: 0.8619658750360284
Energy: 0.8497466593211715
Energy: 0.8049228087429346
Energy: 0.7994506978685507
Energy: 0.8683604826610428
Energy: 0.8693389790368136
Energy: 0.7919819200099351
Energy: 0.8923559753354969
Energy: 0.8541168955195628
Energy: 0.7996739050369559
Energy: 0.8620381286507628
Energy: 0.8570507184440693
Energy: 0.8197098195682233
Energy: 0.862287445432218
Energy: 0.8053851969626222
Energy: 1.0991683418493816
Energy: 0.8638707716257682
Energy: 0.8637029751996324
Energy: 0.8133872558814189
Energy: 0.8639312747667023
Energy: 0.8481085711731746
Energy: 1.4099639016480439
Energy: 0.9235147105455337
Energy: 0.9349353139877846
Energy: 0.8201192521956346
Energy: 0.922293779446089
Energy: 0.9022485766094908
Energy: 1.0992168316367905
Energy: 0.8632179148106517
Energy: 0.8228608313924803
Energy: 0.8284525498980019
Energy: 0.8634152924513079
Energy: 0.8273589867608422
Energy: 0.8368412704845912
Energy: 0.8457246002995711
Energy: 0.8480650065296204
Energy: 0.8368523945136892
Energy: 0.8464044750130252
Energy: 0.8674313073831327
Energy: 0.8379756050413646
Energy: 0.8234296149233172
Energy: 0.8375411136044194
Energy: 0.8365636299046357
Energy: 0.8440690138414124
Energy: 0.8278050618934908
Energy: 0.8375750764591352
Energy: 0.8104995191635748
Energy: 0.8015591299281848
Energy: 0.8376272107296353
Energy: 0.8104106273045988
Energy: 0.8380107739719987
Energy: 0.902105112575327
Energy: 0.8192305102719933
Energy: 0.8021576011399805
Energy: 0.8371129489276801
Energy: 0.8195578391686159
Energy: 0.8636042914514389
Energy: 0.8499938565064006
Energy: 0.8146817358584586
Energy: 0.7990574711318829
Energy: 0.8366600031812098
Energy: 0.8141489941284905
Energy: 0.8360056943014792
Energy: 0.848034663561648
Energy: 0.8229902471968868
Energy: 0.8245955592104085
Energy: 0.825793442356978
Energy: 0.8221169034360158
Energy: 0.8065989447719116
Energy: 0.995915994643891
Energy: 0.8241174933865131
Energy: 0.8235571983565676
Energy: 0.8436924780605201
Energy: 0.8356971645120863
Energy: 0.8290989912554592
Energy: 0.8825223564571545
Energy: 0.8378410373584363
Energy: 0.8654991521076321
Energy: 0.8350946925586242
Energy: 0.8372712538231889
Energy: 0.8582171271225472
Energy: 0.8826871580129928
Energy: 0.8366851255475303
Energy: 0.8378849681855491
Energy: 0.8352954806380903
Energy: 0.8365685242996956
Energy: 0.7769214596763601
Energy: 0.8483455139140187
Energy: 0.8375962393784279
Energy: 0.8361052041731037
Energy: 0.8437499857474036
Energy: 0.8370750060426417
Energy: 0.8375588138418112
Energy: 1.0629770183295044
Energy: 0.8284657927081396
Energy: 0.8567862670192602
Energy: 0.8232388612492647
Energy: 0.8281253749479496
Energy: 0.8826323143770579
Energy: 0.8478286934219667
Energy: 0.8128951854074236
Energy: 0.8135755682102598
Energy: 0.8633572081265212
Energy: 0.8133689193759538
Energy: 0.8182370712543404
Energy: 0.8037418745958352
Energy: 0.7863358785797386
Energy: 0.8936333891140643
Energy: 0.8037319496330406
Energy: 0.7895963917445019
Energy: 0.7656200916473584
Energy: 0.8650441822156844
Energy: 0.8051015031296664
Energy: 0.8042435483185318
Energy: 0.8643535298890257
Energy: 0.813591571212334
Energy: 0.8444439283980586
Energy: 0.8631693935700674
Energy: 0.8293309624546045
Energy: 0.8053166560019254
Energy: 0.8630844472474427
Energy: 0.829295072481515
Energy: 0.8583334960331256
Energy: 0.8323127329068711
Energy: 0.8163413232988002
Energy: 0.9009038446295558
Energy: 0.8445118340593946
Energy: 0.8151515108789757
Energy: 0.8730162444086425
Energy: 0.799589542477492
Energy: 0.8484814832279935
Energy: 0.8051743820337449
Energy: 0.8189360331603638
Energy: 0.8480905482229586
Energy: 0.8048569517656762
Energy: 0.8035901900687813
Energy: 0.87883252490168
Energy: 0.862284346554888
Energy: 0.7926965598740733
Energy: 0.8787255390727823
Energy: 0.864999552669704
Energy: 1.0999247629251736
Energy: 0.8635133169384626
Energy: 0.8631824513202624
Energy: 0.8432774577102011
Energy: 0.8641010828996865
Energy: 0.869768376133792
Energy: 0.8442753321090711
Energy: 0.8649436520718615
Energy: 0.8646420218129278
Energy: 0.8200101303347054
Energy: 0.8645157934634524
Energy: 0.866113324309351
Energy: 0.8424722591746077
Energy: 0.8652497738265568
Energy: 0.8707382430617392
Energy: 0.8281815822860473
Energy: 0.8652886134567012
Energy: 0.804594905539101
Energy: 0.8456785038871629
Energy: 0.8358580981459157
Energy: 0.9264515146022395
Energy: 0.8973172535840633
Energy: 0.8370905650922186
Energy: 0.865297986186273
Energy: 0.8521183904285886
Energy: 0.8342719184426491
Energy: 0.8007321498003392
Energy: 0.8367459114847651
Energy: 0.8327793435535942
Energy: 0.8357117965804013
Energy: 0.8364122841039594
Energy: 0.8154359953254914
Energy: 0.8144051972868351
Energy: 0.8365720755185828
Energy: 0.8088301057041797
Energy: 0.837529170772471
Energy: 1.0961522330116658
Energy: 0.8890600443204169
Energy: 0.9009333997864627
Energy: 1.096047533030643
Energy: 0.8164916378653118
Energy: 0.8635343616044164
Energy: 0.8485596023275922
Energy: 0.8160373247339386
Energy: 0.8151184809106213
Energy: 0.8366816508870242
Energy: 0.8088928399629103
Energy: 0.811506759687447
Energy: 0.8457941558602032
Energy: 0.8256767389769146
Energy: 0.8087171361285126
Energy: 0.823860752037511
Energy: 0.8232987783548318
Energy: 0.8249571018904113
Energy: 0.8504882197565813
Energy: 0.8228264632691153
Energy: 0.8242594787005917
Energy: 0.8367990591056146
Energy: 0.8231305003655915
Energy: 0.8248562927786518
Energy: 0.8824890295623157
Energy: 0.8365062482703789
Energy: 0.8378254313313241
Energy: 0.8354213743505606
Energy: 0.8365896060045033
Energy: 0.7771320767429739

minimum gb energy = 0.7656200916473584 eV
minimum distance =  2.26786188552459 Angstroms
sigma value = 57


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

Energy: 0.6767764985330049
Energy: 0.454035347380536
Energy: 0.4683328880554205
Energy: 0.4454964108237555
Energy: 0.7439534585543942
Energy: 0.6762463832136665
Energy: 0.6788395693386953
Energy: 0.7316948378628905
Energy: 0.6817888508181206
Energy: 0.7316147782828897
Energy: 0.7312930803904498
Energy: 0.6984119725260381
Energy: 0.902495987602579
Energy: 0.8636701580453403
Energy: 0.7195216643949914
Energy: 0.6985295642189924
Energy: 0.732962136358355
Energy: 0.8556351948066047
Energy: 0.8961838577626682
Energy: 0.855813515922862
Energy: 0.8812256831867719
Energy: 0.8483638441845357
Energy: 0.8432612012549333
Energy: 0.8456945526982897
Energy: 0.8711366168570642
Energy: 0.5627919047953664
Energy: 0.5617955959369912
Energy: 0.8726731747944317
Energy: 0.44523041462874513
Energy: 0.84724098850159
Energy: 0.9230321884827426
Energy: 0.5636041369813852
Energy: 0.564248282416491
Energy: 0.8439948160928389
Energy: 0.4453788164498544
Energy: 0.46736827247678203
Energy: 0.8405422339671939
Energy: 0.8485834443439887
Energy: 0.8495395420936093
Energy: 0.8409312526727913
Energy: 0.8348834912017244
Energy: 0.8578378028907626
Energy: 0.8927151441732747
Energy: 0.8604401431213743
Energy: 0.8669233661995267
Energy: 0.8936795377926743
Energy: 0.879119669534861
Energy: 0.8703860871685137
Energy: 0.8557832510091793
Energy: 0.8661046281344454
Energy: 0.9651886301129519
Energy: 1.0058769284311657
Energy: 0.9083986163159922
Energy: 0.8723003852787158
Energy: 0.44483054647090525
Energy: 1.0056699730765233
Energy: 0.4687763900257825
Energy: 0.4451443100775484
Energy: 1.0067736141933807
Energy: 0.44588753777200885
Energy: 0.44472114816049324
Energy: 0.9704966355247464
Energy: 0.9651270667208812
Energy: 0.44497790205637455
Energy: 0.9554390408106747
Energy: 0.44657934221799606
Energy: 0.8815973424171832
Energy: 0.8791254047441891
Energy: 0.894691795490724
Energy: 0.8706728299029546
Energy: 0.866604872920947
Energy: 0.8358780895916877
Energy: 0.9293123759749483
Energy: 0.9072166768192357
Energy: 0.8977520922020222
Energy: 0.8653135985819207
Energy: 0.9114838882646
Energy: 0.8821834552209723
Energy: 0.8643498351314157
Energy: 0.8423879910702186
Energy: 0.846473840123691
Energy: 0.8405051657637467
Energy: 0.8408610015603828
Energy: 0.844050690342195
Energy: 0.8707206571749196
Energy: 0.44536977849490694
Energy: 0.446018905294467
Energy: 0.872644854495038
Energy: 0.5624701603299108
Energy: 0.5634783848385777
Energy: 0.8637650967026105
Energy: 0.8357034191259577
Energy: 0.8537073101753107
Energy: 0.8414175646431894
Energy: 0.5615370199041617
Energy: 0.8443466942837236
Energy: 0.836071151019884
Energy: 0.847549503572842
Energy: 0.8478826868125015
Energy: 0.8360680191322033
Energy: 0.8673536659204301
Energy: 0.8401389515503968
Energy: 0.8987739547313528
Energy: 0.7522213750754236
Energy: 0.7193140932668036
Energy: 0.6967256488778726
Energy: 0.7317372961829487
Energy: 0.8341736880864801
Energy: 0.6786971619936933
Energy: 0.7394451814219529
Energy: 0.7417712958802511
Energy: 0.4449400560182982
Energy: 0.7396068783816112
Energy: 0.697192112821465

minimum gb energy = 0.44472114816049324 eV
minimum distance =  2.32792239713371 Angstroms
sigma value = 11


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

Energy: 1.3340461742947514
Energy: 0.724013936293546
Energy: 0.8079820599503272
Energy: 0.9282351268168128
Energy: 0.9719692297610693
Energy: 0.8081132093506453
Energy: 0.7050990763450653
Energy: 0.7192460653504341
Energy: 0.70685061352961
Energy: 0.6995200847187042
Energy: 0.6911368290997044
Energy: 0.7035262758616813
Energy: 0.6930217169849642
Energy: 0.6927749254000896
Energy: 0.6918040710716051
Energy: 0.6941671928253954
Energy: 0.6920903874958382
Energy: 0.6929740415212068
Energy: 0.6926136176724401
Energy: 0.6999998093294469
Energy: 0.7237081707211074
Energy: 0.6937035455793648
Energy: 0.7059157635368245
Energy: 0.6923420123776883
Energy: 0.6912854955613355
Energy: 0.7913510368462727
Energy: 0.7549142757641611
Energy: 0.6914238571199187
Energy: 0.7932503504772495
Energy: 0.7070581418789623
Energy: 0.7292563450361295
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Energy: 0.7446204531493749
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Energy: 0.7614181946226871
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Energy: 0.6906774034835486
Energy: 0.7630004082221052
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Energy: 0.7615894196640022
Energy: 0.7628384118884186
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Energy: 0.7605485152230805
Energy: 0.78675228846479
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Energy: 0.7050011067046597
Energy: 0.7729791756034428
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Energy: 0.6920185080219479
Energy: 0.7796100313740247
Energy: 1.1255060577665639
Energy: 0.7483799021863584
Energy: 0.7438865789852946
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Energy: 0.7433665683391643
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Energy: 0.7484327456380225
Energy: 0.744946044851907
Energy: 0.7925452198233162
Energy: 0.7344090099876405
Energy: 0.8027329476112008
Energy: 1.057885294451237
Energy: 0.6810707099067144
Energy: 0.7262984753690322
Energy: 0.9043074290746262
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Energy: 0.8577752789203535
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Energy: 0.8265259315996648
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Energy: 0.6814161924888436
Energy: 0.7665960292990945
Energy: 0.7914311614421257
Energy: 0.7452265512125672
Energy: 0.8098669599968827
Energy: 0.7927970027129854
Energy: 0.7444362736182834
Energy: 0.8035644090913873
Energy: 0.7930699445180585
Energy: 0.7741133083531121
Energy: 1.0846109401721287
Energy: 0.7933368490853812
Energy: 0.8295328167007376
Energy: 0.7445167976509388
Energy: 1.1336740841213586
Energy: 0.7922540734008189
Energy: 0.8032989703605091
Energy: 0.7487074941402396
Energy: 0.7947595715262925
Energy: 0.8111582000612245
Energy: 0.9732622289804308
Energy: 0.7439983082306384
Energy: 0.704353249891461
Energy: 0.9478377561466234
Energy: 0.796211569162436
Energy: 0.7025344883034317
Energy: 1.179600088420901
Energy: 0.7405896792511202
Energy: 0.7482099804967854
Energy: 0.7027533273407186
Energy: 0.7938325679893189
Energy: 0.8129836314393334
Energy: 1.1223063984013917
Energy: 0.7625826427083133
Energy: 0.769903092425624
Energy: 0.69105366876173
Energy: 0.8585537710155398
Energy: 0.738547139342665
Energy: 0.8383016245072529
Energy: 0.8579916598685481
Energy: 0.7708895392806299
Energy: 0.8314063371140924
Energy: 0.944092698877364
Energy: 0.7669478438906858
Energy: 0.9516962821583835
Energy: 0.8017811284370132
Energy: 0.7608180164501747
Energy: 0.6920956936840896
Energy: 0.7945353022521495
Energy: 0.7450996094962681
Energy: 0.6907078860964454
Energy: 0.7020152499398885
Energy: 0.735309723058461
Energy: 0.6907738745845982
Energy: 0.7030963045101987
Energy: 0.729031655054845
Energy: 0.6906211814341867
Energy: 0.7086383972206127
Energy: 0.7558557527967696
Energy: 0.6916454467665156
Energy: 0.7048973421793207
Energy: 0.7545773266860778
Energy: 0.7572366120267449
Energy: 0.691818487987738
Energy: 0.7557941257926253
Energy: 0.7582184494466351
Energy: 0.6956615921806918
Energy: 0.7556501460990225
Energy: 0.8433970790512012
Energy: 0.6918257248676197
Energy: 0.6918089389438484
Energy: 0.7925799594692041
Energy: 0.6933401453078337
Energy: 0.6990212935674547
Energy: 1.1059922725163447
Energy: 0.7157187670931191
Energy: 0.7050996281032306
Energy: 0.8833869753841128
Energy: 0.6916373281368684
Energy: 0.7516382705509675

minimum gb energy = 0.6775899495927904 eV
minimum distance =  2.27794395459237 Angstroms
sigma value = 41


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

Energy: 1.2980139640437773
Energy: 0.7779705782605221
Energy: 0.7777640452046856
Energy: 1.0568146888277739
Energy: 0.9106282836427513
Energy: 0.9785137727294417
Energy: 0.7642027100199186
Energy: 0.780484351296074
Energy: 0.7686946969710529
Energy: 0.751232184805984
Energy: 0.7483420371984641
Energy: 0.7678600484195521
Energy: 0.7496964942512971
Energy: 0.7503423819212226
Energy: 0.7526062683357003
Energy: 0.7496172313781818
Energy: 0.7487049819508924
Energy: 0.7570883006278301
Energy: 0.750179738041088
Energy: 0.7669586406645429
Energy: 0.7691687957657898
Energy: 0.7503984965324982
Energy: 0.7631438642251527
Energy: 0.7503939770231881
Energy: 0.7472051454327249
Energy: 0.7819239985814872
Energy: 0.7859909800749522
Energy: 0.7474936916379914
Energy: 0.7480454205206598
Energy: 0.763723178938397
Energy: 0.8052462872141193
Energy: 0.7671163622749948
Energy: 0.8561176094482024
Energy: 0.7511291633328283
Energy: 0.748017876665073
Energy: 0.8617798510229178
Energy: 1.0251893560773873
Energy: 0.7478295219569967
Energy: 0.7491915881207819
Energy: 0.7490334192078993
Energy: 0.8577231773802416
Energy: 0.7693229323337011
Energy: 0.7666437804066139
Energy: 0.864488721206911
Energy: 0.8646648885445364
Energy: 0.7663284737845841
Energy: 0.8646203567666922
Energy: 0.8075462389361645
Energy: 0.8085175255486287
Energy: 0.7497643646290659
Energy: 0.7861377425928151
Energy: 0.7793024986675606
Energy: 0.7520344600372593
Energy: 0.7686961995528945
Energy: 0.9779488314667589
Energy: 0.8645828048647061
Energy: 0.8584083072918122
Energy: 0.745960844685133
Energy: 0.8457287422344193
Energy: 0.8576551140707506
Energy: 1.0210160141575222
Energy: 0.8587788884341907
Energy: 0.8617945586980064
Energy: 0.745872628249925
Energy: 0.8458217597748765
Energy: 0.7861879039935643
Energy: 1.0389566734469318
Energy: 0.7447435292029319
Energy: 0.7271936032317871
Energy: 0.8457633829751304
Energy: 0.727250887899746
Energy: 0.8578004057260776
Energy: 0.8454951166373676
Energy: 0.7446594691691298
Energy: 0.8659360394692218
Energy: 0.8455797954576648
Energy: 0.7271018746492255
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Energy: 0.8451148505362924
Energy: 0.7652604821287871
Energy: 0.7649605527157318
Energy: 0.8455217215548934
Energy: 0.7705902872383582
Energy: 0.7858237946416549
Energy: 0.8625262079476343
Energy: 0.8443565155161137
Energy: 0.8643579040171465
Energy: 0.8631783428013783
Energy: 0.8924835060628102
Energy: 0.8633392337608731
Energy: 0.7474839985575585
Energy: 0.7673647856685016
Energy: 0.7690935942800433
Energy: 0.8575413025033556
Energy: 0.749186454952418
Energy: 0.7693487964619569
Energy: 1.1902188895945556
Energy: 0.7712737057151804
Energy: 0.7639129614385373
Energy: 0.9576540428783497
Energy: 0.760542095217353
Energy: 0.9582538938537437
Energy: 0.7639661928382189
Energy: 0.7654626331148341
Energy: 0.763574168964425
Energy: 0.7700055560401387
Energy: 0.7479280633664187
Energy: 0.761428593425855
Energy: 0.7503308865467345
Energy: 0.749780171293275
Energy: 0.7507119921390477
Energy: 0.7504720479602234
Energy: 0.749789598022981
Energy: 0.7695013568054364
Energy: 0.748757168089285
Energy: 0.7506288199940093
Energy: 0.7570485989335538
Energy: 0.7487996921930777
Energy: 0.7504047320315321
Energy: 0.7533346730569626
Energy: 0.7472250582098874
Energy: 0.7708258406910178
Energy: 0.7688596930841831
Energy: 0.7475392573893098
Energy: 0.7526541302702693
Energy: 0.7688339017779126
Energy: 1.1274980364805245
Energy: 0.8577110847535602
Energy: 0.8619358182848416
Energy: 1.163387401125377
Energy: 0.7706376090002328
Energy: 0.8921681999589937
Energy: 0.808041898592979
Energy: 0.7485935224900578
Energy: 0.7691401060923412
Energy: 0.7479171160826474
Energy: 0.7522011321609896
Energy: 0.7683193116042959
Energy: 0.7659851012600347
Energy: 0.863412607224663
Energy: 0.8441783718293207
Energy: 0.7657746228795651
Energy: 0.8638256848839846
Energy: 0.8067694928344278
Energy: 1.0249237067392285
Energy: 0.8453454798607825
Energy: 0.7503156067447779
Energy: 0.767238395988031
Energy: 0.845093497181461
Energy: 0.769369562204721
Energy: 1.0209651559253277
Energy: 0.8586424402908311
Energy: 0.8618107965311831
Energy: 0.7457048051685903
Energy: 0.8458407323307949
Energy: 0.7691653589945336
Energy: 0.9774221166915908
Energy: 0.858504328074624
Energy: 0.858663280226814
Energy: 0.7459693589879672
Energy: 0.8458339555427906
Energy: 0.8573436221206336
Energy: 1.0337980039083545
Energy: 0.762174622511677
Energy: 0.7853347647581262
Energy: 0.8459701209681357
Energy: 0.7271925900220884
Energy: 0.7626947246063397
Energy: 0.8458160958621269
Energy: 0.9574139611382279
Energy: 0.9566788167210333
Energy: 0.8458625718041738
Energy: 0.7267941640223455
Energy: 0.9569791642118077
Energy: 0.7509856725234813
Energy: 0.7670647541099263
Energy: 0.7814162912778295
Energy: 0.7504147994869143
Energy: 0.7687452660111125
Energy: 0.7807169558199236
Energy: 0.846349565092375
Energy: 0.7492856206252629
Energy: 0.8581645254934915
Energy: 0.8465164464723873
Energy: 0.749073172937456
Energy: 0.8469647543364721
Energy: 0.7495061247265982
Energy: 0.7503141122350542
Energy: 0.7741192442484737
Energy: 0.8634084077020268
Energy: 0.7499857746809928
Energy: 0.750178788883884
Energy: 1.1883376989833583
Energy: 0.7724460536234843
Energy: 0.7620495457371051
Energy: 0.7259610604393487
Energy: 0.7604614718198311
Energy: 0.7537474280101687

minimum gb energy = 0.7259610604393487 eV
minimum distance =  2.35433300758175 Angstroms
sigma value = 33


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

Energy: 1.034782686245298
Energy: 1.095523437122852
Energy: 1.0953318430568846
Energy: 1.014391431004485
Energy: 0.9629292180074553
Energy: 1.0957778127551387
Energy: 0.8285323237127094
Energy: 0.8311259321866008
Energy: 0.8527335282479851
Energy: 0.8399123685502915
Energy: 0.8249900523711542
Energy: 0.841556791902383
Energy: 0.8248253930645882
Energy: 0.8193371219948742
Energy: 0.8233878465787827
Energy: 0.8249041738527613
Energy: 0.8247871531613475
Energy: 0.8258420839480259
Energy: 0.8251292261886432
Energy: 0.8384770935539083
Energy: 0.8227068446104759
Energy: 0.8252170065545448
Energy: 0.8316807445196202
Energy: 0.8262189303524476
Energy: 0.8820333151761465
Energy: 0.8239220459846386
Energy: 0.8283862227870392
Energy: 0.8818072127651514
Energy: 0.8093506922700707
Energy: 0.8236948925813263
Energy: 0.9372600217240067
Energy: 0.8265274649066565
Energy: 0.844125053592194
Energy: 0.8310804452243528
Energy: 0.803880989467214
Energy: 0.8465399659046636
Energy: 0.8675024763190265
Energy: 0.8313954158702945
Energy: 0.8698681094571602
Energy: 0.8798263579609422
Energy: 0.8839074522793272
Energy: 0.8517902469040651
Energy: 0.9013474249835302
Energy: 0.8787763765785727
Energy: 0.8435381973777382
Energy: 0.8281995986922795
Energy: 0.878123432483327
Energy: 0.8404050839861117
Energy: 0.8425726979154031
Energy: 0.8071246477868618
Energy: 0.8062374330728127
Energy: 0.8512858292096926
Energy: 0.8031539640017337
Energy: 0.8362442401044636
Energy: 0.9177542576322922
Energy: 0.8338817642523895
Energy: 0.8341673252815637
Energy: 0.7988748718823917
Energy: 0.8340578006325703
Energy: 0.8589103343509491
Energy: 0.9176832647167481
Energy: 0.8376200350515903
Energy: 0.8243483538806031
Energy: 0.8029735818363826
Energy: 0.8412278262900709
Energy: 0.8181347048763236
Energy: 0.8435966854967956
Energy: 0.7787281245369453
Energy: 0.7784444360996677
Energy: 0.7995417078964564
Energy: 0.7832098883155973
Energy: 0.7781969945530826
Energy: 0.8169872023239256
Energy: 0.7787133615011459
Energy: 0.7781795889949178
Energy: 0.8784582947960096
Energy: 0.7785192251729254
Energy: 0.8401414839100525
Energy: 0.8926616156403405
Energy: 0.889795620140816
Energy: 0.8211977383002486
Energy: 0.8012671943055034
Energy: 0.876036778468661
Energy: 0.8221218016184747
Energy: 0.7884767725463099
Energy: 0.8624734994965224
Energy: 0.8648121042935119
Energy: 0.799159633273865
Energy: 0.8630171710349477
Energy: 0.8578415261764866
Energy: 0.8171833417120149
Energy: 0.823828328240991
Energy: 0.8184788946840761
Energy: 0.8288131108383132
Energy: 0.8260325738292957
Energy: 0.8222862491817021
Energy: 1.1948352650795164
Energy: 0.8733778733248609
Energy: 0.8282246547341822
Energy: 0.8033868397429751
Energy: 0.8734971583094672
Energy: 0.8291874033007075
Energy: 1.2274444434741374
Energy: 0.8654572964988111
Energy: 0.8726643126103788
Energy: 0.807281633367976
Energy: 0.8281818312452173
Energy: 0.8329527978515152
Energy: 0.978404160606184
Energy: 0.8314382863069767
Energy: 0.7993937361037041
Energy: 0.8430463670593021
Energy: 0.8274352309665731
Energy: 0.8480539117722085
Energy: 0.8517223484170591
Energy: 0.8316963971685742
Energy: 0.7921230804169319
Energy: 0.84823270302519
Energy: 0.8273540551783309
Energy: 0.8301355722019331
Energy: 0.8375181257977661
Energy: 0.8127687396143405
Energy: 0.8304850973539537
Energy: 0.8383811980154772
Energy: 0.8309580043840855
Energy: 0.8365754397245284
Energy: 1.0236294355328175
Energy: 0.8220740521540885
Energy: 0.8472242719201091
Energy: 1.0240418413920098
Energy: 0.801118513017414
Energy: 0.8478458715411696
Energy: 0.8233892625501628
Energy: 0.8274595747840378
Energy: 0.8252400865753302
Energy: 0.8024326789551428
Energy: 0.8029622356217835
Energy: 0.8182362951408669
Energy: 0.8281652137831794
Energy: 1.0733406333308209
Energy: 0.778113050454041
Energy: 0.7782662632660405
Energy: 1.044891587494812
Energy: 0.7778299882689281
Energy: 0.8279720473213485
Energy: 0.8305750923804348
Energy: 0.8505455616910984
Energy: 0.7804984145085683
Energy: 0.8096842353140677
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Energy: 0.8240510047978322
Energy: 0.8024127660906444
Energy: 0.8029183722107364
Energy: 0.8784160454291124
Energy: 0.8022341240496028
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Energy: 0.8638365496799134
Energy: 0.8094596889512364
Energy: 0.8219041643735902
Energy: 0.8634016199855779
Energy: 0.8022876932583523
Energy: 0.8247184095350212
Energy: 0.8727390869751
Energy: 0.8392568339396638
Energy: 0.8590193245748381
Energy: 0.8734623236418859
Energy: 0.8110534219788582
Energy: 0.85650867194402
Energy: 0.9847282265199432
Energy: 0.8253523255762711
Energy: 0.8404308871812965
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Energy: 0.8402284430668979
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Energy: 0.8700891685828857
Energy: 0.8737156854078418
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Energy: 0.7991310502677194
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Energy: 0.8430444169200789
Energy: 0.8427067715030563
Energy: 0.8616157479759806
Energy: 0.7990790876463253
Energy: 0.8531902282843309
Energy: 0.818087248586756
Energy: 0.8431493587567322
Energy: 0.7783694678623729
Energy: 0.8154287956315236
Energy: 0.7992143203891013
Energy: 0.7817223185753444
Energy: 0.818876572818766
Energy: 0.9231583896788694
Energy: 0.7792494528639171
Energy: 0.8815137399973582
Energy: 0.9114118368227687
Energy: 0.7782465316407992
Energy: 0.7792312897037281
Energy: 0.8920303767161745
Energy: 0.8274299195366647
Energy: 0.8175855207961734
Energy: 0.7994694007689724
Energy: 0.8721133991545943
Energy: 0.8172399377309842
Energy: 0.8213670487857228
Energy: 0.8809201429793404
Energy: 0.8756480080067527
Energy: 0.8208970600748389
Energy: 0.8807255165088284
Energy: 0.8675428971330311
Energy: 0.892199331619669
Energy: 0.8263037201637724
Energy: 0.8499251082896631
Energy: 0.8295845919482125
Energy: 0.8259834881624496
Energy: 0.809385104112825
Energy: 1.1944626132536138
Energy: 0.9031938539672021
Energy: 0.9029206397419097
Energy: 0.8034790054640142
Energy: 0.9031873182712471
Energy: 0.82934083266888
Energy: 1.1943596277990762
Energy: 0.8252090339987508
Energy: 0.8859265735695494
Energy: 0.8094999844618709
Energy: 0.9021329615286473
Energy: 0.8365732083854607
Energy: 0.9115135812484482
Energy: 0.8309400877932975
Energy: 0.7928391420533177
Energy: 0.8039938317544955
Energy: 0.8274606124985572
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Energy: 0.85442998743711
Energy: 0.8324914158780856
Energy: 0.8460765424515809
Energy: 0.8544119439179902
Energy: 0.8280676097637709
Energy: 0.8280938018536048
Energy: 0.7995893603277678
Energy: 0.8659456069113399
Energy: 0.826142708557088
Energy: 0.8005965610399737
Energy: 0.862215553453704
Energy: 0.8217907085733074
Energy: 0.9833249028060846
Energy: 0.8063722804070098
Energy: 0.8011870495600857
Energy: 0.9836177508521006
Energy: 0.8239391376545755
Energy: 0.9056868994606164
Energy: 0.8252839303066783
Energy: 0.826124412557145
Energy: 0.8390462217766016
Energy: 0.810630541118903
Energy: 0.8240656682786206
Energy: 0.8396430910699317
Energy: 0.9382742014135851
Energy: 0.8244784275831352
Energy: 0.8066888641809189
Energy: 0.8483923320958683
Energy: 1.061406472227571
Energy: 0.846692241355877

minimum gb energy = 0.7778299882689281 eV
minimum distance =  2.28692308073836 Angstroms
sigma value = 67


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

Energy: 1.0623353015456813
Energy: 0.8297743703689779
Energy: 0.8297940409720606
Energy: 0.991676562235686
Energy: 0.8599335894455452
Energy: 0.9918644211067398
Energy: 0.8769256089570132
Energy: 0.8431600244681644
Energy: 0.8424194524287987
Energy: 0.8523143246128208
Energy: 0.8446711169788432
Energy: 0.84140971601859
Energy: 0.8504036230942832
Energy: 0.8084506408815018
Energy: 0.8441462453906009
Energy: 0.8510222520929567
Energy: 0.8082103984386082
Energy: 0.8442184336012558
Energy: 0.8576207738929539
Energy: 0.844356369427946
Energy: 0.8426744906713289
Energy: 0.8514189887506016
Energy: 0.8456042375049093
Energy: 0.8442944765647515
Energy: 0.8479659018547541
Energy: 0.8427306270516977
Energy: 0.8415973662027987
Energy: 0.8483235701120765
Energy: 0.8436358087534761
Energy: 0.844062292583384
Energy: 0.8481343636708287
Energy: 0.9113696501844578
Energy: 0.8439736872350667
Energy: 0.848854222319808
Energy: 0.9125102704023872
Energy: 0.849638785227216
Energy: 0.8768174142059987
Energy: 0.8422974900350977
Energy: 0.8415321401923478
Energy: 0.8786160245683807
Energy: 0.8421277611550073
Energy: 0.8404388541611856

minimum gb energy = 0.8082103984386082 eV
minimum distance =  2.38141463841438 Angstroms
sigma value = 3


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

Energy: 1.381851387099315
Energy: 0.9864981441745156
Energy: 0.8894248065572489
Energy: 0.8992315746710307
Energy: 0.9866219983875016
Energy: 0.9234825343914721
Energy: 0.9393756842458021
Energy: 0.9427387170992744
Energy: 0.8746806881969369
Energy: 0.9090511941953142
Energy: 0.9820590189130006
Energy: 0.8886401162656462
Energy: 1.0217877491227585
Energy: 0.9234628750068639
Energy: 0.9230680755706989
Energy: 0.8830156591151495
Energy: 0.923475752498407
Energy: 0.8896148789020419
Energy: 0.933132994394738
Energy: 0.9012092510578258
Energy: 0.9306454217094269
Energy: 0.9349872715167636
Energy: 0.9240605067277837
Energy: 0.9180589739701961
Energy: 0.9324232409223632
Energy: 0.9304565818816665
Energy: 0.9287940201897884
Energy: 0.9332976958976875
Energy: 0.9563738800010015
Energy: 0.9305736599651
Energy: 0.915456037435233
Energy: 0.9616214039697396
Energy: 0.9289076426263542
Energy: 0.9158006431048484
Energy: 0.9573337976617653
Energy: 0.9288752152611517
Energy: 0.928758223475661
Energy: 0.9859808366507867
Energy: 0.9466289820553092
Energy: 0.9326404123447235
Energy: 0.9823616106628028
Energy: 0.9610397477593592
Energy: 1.15608529011306
Energy: 0.9781626282086874
Energy: 0.9166270718750804
Energy: 0.9512771192148709
Energy: 1.0213103820188079
Energy: 0.906902996012796
Energy: 0.9282710759309277
Energy: 0.9215491932364807
Energy: 0.9685582060285121
Energy: 0.9523809625476132
Energy: 0.9553497940716155
Energy: 0.9370524363086666
Energy: 1.0317392638551084
Energy: 0.9179317620302749
Energy: 0.9622526467622831
Energy: 1.0083502895110195
Energy: 0.9628522623665935
Energy: 0.9225488800234555
Energy: 0.9744058458800049
Energy: 0.9306722254390539
Energy: 0.8978375638946462
Energy: 0.9748887098959117
Energy: 0.9132869701119274
Energy: 0.9407569962062816
Energy: 0.9776969335498903
Energy: 0.9674312584054554
Energy: 0.9314931718799037
Energy: 0.978289599526253
Energy: 0.9244989985240984
Energy: 0.9317431313185509
Energy: 0.9207782141726449
Energy: 0.9228019924955438
Energy: 0.9231013804090071
Energy: 0.9406610744347217
Energy: 0.9235198405697542
Energy: 0.9246058906678204
Energy: 0.9510451264486486
Energy: 0.922698491940562
Energy: 0.9162190872944113
Energy: 0.9469770135797375
Energy: 0.9200222976221449
Energy: 0.9161879025636562
Energy: 0.9698879256217313
Energy: 0.9304934689171327
Energy: 0.9224352404628664
Energy: 0.903812895798065
Energy: 0.9223745877420202
Energy: 0.9215361624897346
Energy: 1.0020611807211266
Energy: 0.9713923474828993
Energy: 0.9712625743266011
Energy: 0.9883325327933102
Energy: 0.9813132622007281
Energy: 0.9213527974853911
Energy: 1.0468041354299227
Energy: 0.9087316539768956
Energy: 0.9314392896961958
Energy: 1.0476099042094098
Energy: 0.9103612347385771
Energy: 0.9551113151784747
Energy: 0.9889850839841708
Energy: 0.9595849605033063
Energy: 0.9439402207259552
Energy: 0.9801315446170438
Energy: 0.9742057998709065
Energy: 0.9371679376125681
Energy: 1.1570557150624814
Energy: 0.967771616845117
Energy: 0.9677553349540137
Energy: 0.9706530297648998
Energy: 1.0899650392218498
Energy: 0.961906789402582
Energy: 1.1012866061958435
Energy: 0.974839259192803
Energy: 0.9679902059763824
Energy: 0.9636374484461445
Energy: 0.9785924940341285
Energy: 0.9621507896023302
Energy: 0.921658666468088
Energy: 0.9419119539232216
Energy: 0.9368819420622597
Energy: 0.9201554806647352
Energy: 0.9294992339358882
Energy: 0.9336433979362444
Energy: 0.922207099684961
Energy: 0.9421100964096591
Energy: 0.9414986992045757
Energy: 0.9225556875672142
Energy: 0.9439266194653788
Energy: 0.9333301958530159
Energy: 0.9224099402885533
Energy: 0.9480174027358593
Energy: 0.9405826440331684
Energy: 0.9239172539274089
Energy: 0.9501959633261362
Energy: 0.9266176074200452
Energy: 0.9250689346978984
Energy: 0.9366480977029715
Energy: 0.9089308358283927
Energy: 0.9252002225025326
Energy: 0.9405836754378794
Energy: 0.9257019409667931
Energy: 0.9669775015300764
Energy: 0.9444576136249839
Energy: 0.9571813783530347
Energy: 0.9579381095169449
Energy: 0.9811793133088788
Energy: 0.9575892770273302
Energy: 1.2583318547712075
Energy: 1.0562274666649214
Energy: 0.9749481779193043
Energy: 0.9038203820704186
Energy: 1.0682307641863296
Energy: 0.8837722897510228
Energy: 0.8712328134186526
Energy: 1.03654124796648
Energy: 0.9748243081331451
Energy: 0.9042380044099526
Energy: 1.0685709785689677
Energy: 0.8942879852335411
Energy: 0.9682573654732705
Energy: 0.9581146195632096
Energy: 0.9571482498508643
Energy: 0.9840613982460744
Energy: 1.02954448047118
Energy: 0.9575335700949743
Energy: 0.9155163350231341
Energy: 0.919877848796576
Energy: 0.9232653807062892
Energy: 0.9142927882783117
Energy: 0.913483874511715
Energy: 0.9301215434678558
Energy: 0.9143704652456451
Energy: 0.9463613946988184
Energy: 0.9198006666902738
Energy: 0.9160106226448428
Energy: 0.9532340410702741
Energy: 0.9143027181725933
Energy: 0.9278094922333818
Energy: 1.0868176708325983
Energy: 1.090684131922794
Energy: 0.9285881149301435
Energy: 0.9554584405873597
Energy: 0.9207194058436179
Energy: 0.9307056863067497
Energy: 0.9705682710129762
Energy: 0.9695260346417262
Energy: 0.9310334252311948
Energy: 0.9832376252050515
Energy: 0.9552275425069096
Energy: 1.1960790255398062
Energy: 1.0011985196989854
Energy: 0.9690222511487828
Energy: 0.9503476339047369
Energy: 0.9711353403452823
Energy: 0.9312305263135164
Energy: 1.0196661035919272
Energy: 0.9768387222338558
Energy: 0.9235741129587238
Energy: 0.9425900953363126
Energy: 0.9855387659233599
Energy: 0.9714448207861799
Energy: 0.9951177977777874
Energy: 0.9181626871660113
Energy: 0.9182964581127663
Energy: 0.9839552139284493
Energy: 1.0200534597632536
Energy: 0.9369567857358932
Energy: 0.9774027959593907
Energy: 0.9625899896669835
Energy: 0.9622084237404093
Energy: 0.9775342799149276
Energy: 0.9629722975415758
Energy: 0.9261744960523742
Energy: 0.9481872356041738
Energy: 0.9288576266005348
Energy: 0.9273171410300711
Energy: 0.9750047834028839
Energy: 0.9357321999970135
Energy: 0.9712873577323533
Energy: 0.921354696546857
Energy: 0.9167552190094627
Energy: 0.9491085669874879
Energy: 0.9363196822473255
Energy: 0.9174394897656326
Energy: 0.9297357010229044
Energy: 0.9519920952793262
Energy: 0.9169529058337413
Energy: 0.9168810751960541
Energy: 0.958286934072229
Energy: 0.9191454857313772
Energy: 0.9173238078481339
Energy: 0.9705016253185418
Energy: 0.9237600687688073
Energy: 0.9239473651465279
Energy: 0.9499672214832434
Energy: 0.9319494058553142
Energy: 0.9237670912777235
Energy: 1.1247872887222155
Energy: 0.9738327391941543
Energy: 0.9737636766414304
Energy: 1.033398357775922
Energy: 0.9787454346408808
Energy: 0.9738822853398622
Energy: 0.9763635314967963
Energy: 0.9467305939573922
Energy: 0.9258840542489623
Energy: 0.9743326514850287
Energy: 0.9337140346364224
Energy: 0.961775859633804
Energy: 1.0662569285066947
Energy: 0.9212517925978355
Energy: 0.9274030408313988
Energy: 1.0996317936816664
Energy: 0.9348444857228283
Energy: 0.9688211118388059
Energy: 0.9224069705083444
Energy: 0.965067461084967
Energy: 0.9650483318105042
Energy: 0.9377064484536384
Energy: 0.9903312656944864
Energy: 0.9602070079823829
Energy: 1.2276713047967263
Energy: 0.9286160703303448
Energy: 0.8928756860829343
Energy: 1.1106405815252522
Energy: 0.9284679407018668
Energy: 0.8930263529652824
Energy: 0.9224931966090104
Energy: 0.9244933115186296
Energy: 0.923721915477407
Energy: 0.9220885909115714
Energy: 0.9238899371273493
Energy: 0.9231367045322103
Energy: 0.9217226882742737
Energy: 0.9432205050279012
Energy: 0.9290652599907792
Energy: 0.929239637899268
Energy: 0.9220669159053198
Energy: 0.9300591797144773
Energy: 0.9275156943324958
Energy: 0.8897917079990706
Energy: 0.9297542902069585
Energy: 0.9282503218483439
Energy: 0.9223871182978534
Energy: 0.9575808918427865
Energy: 0.9288267059598069
Energy: 0.9494729469560118
Energy: 0.9304797108200579
Energy: 0.9546592292545024
Energy: 0.950103852230875
Energy: 0.9182182244193935
Energy: 0.9292240832383157
Energy: 0.9498952088056853
Energy: 0.9499886165757179
Energy: 0.9813115743115117
Energy: 0.9504567771678687
Energy: 0.918882474399043
Energy: 0.9399106026042365
Energy: 0.9433955078524408
Energy: 0.9046877454965896
Energy: 0.8961616270548228
Energy: 0.9556576116462788
Energy: 0.9165740614142227

minimum gb energy = 0.8712328134186526 eV
minimum distance =  2.29856953494528 Angstroms
sigma value = 81


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

Energy: 1.6063439932385069
Energy: 0.9471931005957371
Energy: 0.9110450939571487
Energy: 0.9107559005227481
Energy: 1.008348645116145
Energy: 0.9565602393838448
Energy: 0.8731447100758422
Energy: 0.9009934984049243
Energy: 0.9006058754358208
Energy: 0.8795915178960255
Energy: 0.9060242670373834
Energy: 0.9038152393716713
Energy: 0.9671050656855491
Energy: 0.8968797462921277
Energy: 0.8715333255265818
Energy: 0.9446096123621008
Energy: 0.897154715876432
Energy: 0.8665387310363922
Energy: 0.9298645591388646
Energy: 0.8956409364560922
Energy: 0.9529266131975399
Energy: 0.9309744858145332
Energy: 0.8980577154657684
Energy: 0.8665402382878741
Energy: 0.984375891660677
Energy: 1.0137876004784394
Energy: 1.0156684668153848
Energy: 0.9844522280684767
Energy: 1.006352241473797
Energy: 0.9430775898709869
Energy: 0.9253962899274399
Energy: 1.0068925182922959
Energy: 1.009758387563964
Energy: 0.9259522718552361
Energy: 1.0088057154803136
Energy: 1.0126604933545975
Energy: 1.043799108700986
Energy: 0.9215144004131892
Energy: 0.9487759536409482
Energy: 0.9651267670463767
Energy: 0.9226458420540916
Energy: 0.9586876597427314
Energy: 1.2165058602131698
Energy: 0.9956677123295348
Energy: 1.085109209621666
Energy: 0.9309163147871463
Energy: 1.0289543938016963
Energy: 0.9300230524872295
Energy: 1.0950323171023053
Energy: 0.9227454689186765
Energy: 0.9422182466878719
Energy: 1.0315684549909727
Energy: 0.9717930309956724
Energy: 0.9553588758283792
Energy: 1.0462221564394854
Energy: 0.9287642232249189
Energy: 0.9568980328556949
Energy: 1.0292155743706946
Energy: 0.9286944528198219
Energy: 0.9555170507294094
Energy: 1.0861977035298525
Energy: 0.9157509513070697
Energy: 0.928245893933853
Energy: 1.0321128302415938
Energy: 0.8712920756342818
Energy: 1.0337420702911149
Energy: 0.9783340151516985
Energy: 0.9202242082411969
Energy: 0.920616974413584
Energy: 0.9348621488681529
Energy: 0.925605190281123
Energy: 0.9208660860447405
Energy: 0.9785520268495412
Energy: 0.9392002704828681
Energy: 0.9389363147284173
Energy: 0.8974955150938693
Energy: 0.9388089688376823
Energy: 0.8947975549725672
Energy: 0.9599027152422013
Energy: 0.9681150627885831
Energy: 1.023633001824659
Energy: 0.9390492280744976
Energy: 0.968804994689397
Energy: 0.9646776346555542
Energy: 1.096852688897226
Energy: 0.9656483351498629
Energy: 1.0308448397090684
Energy: 1.0284771583969878
Energy: 0.965364542778032
Energy: 1.03022634617532
Energy: 0.9555742908311075
Energy: 0.9615423014704687
Energy: 0.9511907073032324
Energy: 0.8672405578349226
Energy: 0.9741926132164036
Energy: 0.8902589614894506
Energy: 1.0645737288307615
Energy: 0.9304209366754362
Energy: 0.930140193473203
Energy: 1.0650137947840883
Energy: 0.9304484636272667
Energy: 0.9297192528261182
Energy: 0.9142577081897019
Energy: 0.8953416691293316
Energy: 0.8953483062306098
Energy: 0.9143776743518426
Energy: 0.895358560408587
Energy: 0.8932302509263583
Energy: 1.0560156186703056
Energy: 0.9534938595401771
Energy: 0.9534755074206499
Energy: 0.9505442363829718
Energy: 0.9531877491651028
Energy: 0.9536413575493229
Energy: 1.056072961377462
Energy: 0.9535841147100066
Energy: 0.9536775895002774
Energy: 0.9675109704351464
Energy: 0.953719111855755
Energy: 0.9537071645180999
Energy: 0.9145868138627707
Energy: 0.8950636876034312
Energy: 0.8952258990721872
Energy: 0.9145933234982909
Energy: 0.8948981248918435
Energy: 0.8651887338454768
Energy: 0.9527871521998524
Energy: 0.8718450009503488
Energy: 0.8713142379452398
Energy: 0.9526261320258308
Energy: 0.871091200703028
Energy: 0.8948944424470832
Energy: 0.9425553918207304
Energy: 0.9031641531190404
Energy: 0.8656780054284757
Energy: 0.8666909719277959
Energy: 0.9018481213224828
Energy: 0.8657051359177413
Energy: 0.9551958955161214
Energy: 1.059338076776807
Energy: 1.0224319810999412
Energy: 0.9056542262920745
Energy: 1.0583568140324862
Energy: 0.8669084401782146
Energy: 1.014534445798444
Energy: 1.0328905737423868
Energy: 1.0201728783187085
Energy: 1.0290565698101701
Energy: 0.9358675162602209
Energy: 1.020185036820254
Energy: 1.2169488013646665
Energy: 1.0467628411146652
Energy: 1.076511009017324
Energy: 0.9301690965075035
Energy: 1.0464040113257396
Energy: 1.0010749584900338
Energy: 1.2169132778521747
Energy: 1.109640061896949
Energy: 1.0103835504317893
Energy: 0.9305420119840422
Energy: 1.1106592796891965
Energy: 1.0089942655494517
Energy: 1.0821823672967419
Energy: 0.9427834458184762
Energy: 0.9770881255345019
Energy: 1.0312617302531208
Energy: 0.9429591195027004
Energy: 0.9845686183123946
Energy: 1.0832568458282912
Energy: 0.9533964188797512
Energy: 0.9534520348277472
Energy: 1.0658943678407415
Energy: 0.9289327690406513
Energy: 0.9537651073464511
Energy: 1.0342479506057825
Energy: 0.9213674825545439
Energy: 0.9427261760010085
Energy: 0.9704534900601279
Energy: 0.9252128174873036
Energy: 0.9558871796866593
Energy: 0.9783444546339192
Energy: 1.0757956184724156
Energy: 1.0114446420933296
Energy: 0.8971598309382102
Energy: 1.0908206275055514
Energy: 0.9607759696601506
Energy: 0.9239907279991788
Energy: 0.9213944326567189
Energy: 0.921545371552406
Energy: 0.9646413581167679
Energy: 0.9214695006631402
Energy: 0.9404356662413207
Energy: 1.0670817001120272
Energy: 0.9832008433374267
Energy: 0.9835040473799295
Energy: 1.0117459261222068
Energy: 0.9828263451778622
Energy: 0.9828125193925673
Energy: 1.0670563259925194
Energy: 0.9439989137276318
Energy: 0.9942488363513202
Energy: 1.0097296787952086
Energy: 0.9866028105925733
Energy: 1.0132756890272818
Energy: 1.0668823877267597
Energy: 0.8756812626203997
Energy: 0.9518692553167327
Energy: 1.0684500262527863
Energy: 0.9302793478539192
Energy: 0.8925227645842501
Energy: 1.0306890947823444
Energy: 0.9301640279817901
Energy: 0.9301306894417882
Energy: 0.9739550620175573
Energy: 0.9304517405795906
Energy: 0.9786055869369559
Energy: 1.1958551952066434
Energy: 0.9599085564222654
Energy: 0.9628443642871457
Energy: 0.8668337678649956
Energy: 0.959389457067677
Energy: 0.9598846259346948
Energy: 1.0392996657906217
Energy: 0.9579471049030691
Energy: 0.9106617406235394
Energy: 0.9347097446202978
Energy: 0.9857228593319867
Energy: 0.9318880002409868

minimum gb energy = 0.8651887338454768 eV
minimum distance =  2.23936750962107 Angstroms
sigma value = 43


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

Energy: 1.4444466673184952
Energy: 0.9644999686482209
Energy: 1.027983909926399
Energy: 1.0019105222082785
Energy: 1.0124981178507866
Energy: 1.001846271556284
Energy: 0.9006077858175919
Energy: 0.8501212805232186
Energy: 0.8753910141276752
Energy: 0.8793142514631916
Energy: 0.8618626345174737
Energy: 0.8835579622024481
Energy: 0.9029873241740437
Energy: 0.9013023689220611
Energy: 0.9016661611125192
Energy: 1.0424468768077508
Energy: 0.9011093061565749
Energy: 0.8794853395200202
Energy: 0.8808465759431886
Energy: 0.9009530318078672
Energy: 0.879314799452536
Energy: 0.8811691334438394
Energy: 0.8933659311192491
Energy: 0.8793646307743057
Energy: 0.8474677401610332
Energy: 0.8675957359650234
Energy: 0.8683138105390931
Energy: 0.8477541717811613
Energy: 0.8476539217644858
Energy: 0.8756868016142859
Energy: 0.8476089416669135
Energy: 0.8680119619933595
Energy: 0.8749924612604856
Energy: 0.8676908989182283
Energy: 0.8474292392540914
Energy: 0.884295016216505
Energy: 0.9272427077075573
Energy: 0.863277518761542
Energy: 0.8631470868618869
Energy: 0.852120091409444
Energy: 0.8633771743202987
Energy: 0.8634318444317163
Energy: 1.011803520134709
Energy: 0.8796936113871704
Energy: 0.8795084720988458
Energy: 0.8944059198584431
Energy: 0.8794118684721638
Energy: 0.8799157059093345
Energy: 0.9260620919377225
Energy: 0.8792148889140876
Energy: 0.8634268441960266
Energy: 0.8528154213976666
Energy: 0.8793197620274397
Energy: 0.8633979533968843
Energy: 0.9232946810943793
Energy: 0.8791828525839228
Energy: 0.8970919575248194
Energy: 0.9873998972145794
Energy: 0.8793979101658584
Energy: 0.9270709542726386
Energy: 0.8508591824488171
Energy: 0.8978084372581394
Energy: 0.8814578700267836
Energy: 0.8543241813061069
Energy: 0.897203605920409
Energy: 0.851292346699352
Energy: 1.0854328438008471
Energy: 0.8797005402601786
Energy: 0.8799267854989108
Energy: 0.903157686414921
Energy: 0.8805301134397894
Energy: 0.8799075480730704
Energy: 1.0251454484835285
Energy: 0.879565431914293
Energy: 0.8559955481830436
Energy: 0.9003939655107168
Energy: 0.9002511735458278
Energy: 0.8559739975883742
Energy: 0.8509007988127137
Energy: 0.8632292909986539
Energy: 0.883820674979887
Energy: 0.8545234165858825
Energy: 0.8633793072385012
Energy: 0.8516606459859047
Energy: 0.851628086321822
Energy: 0.9050712201702465
Energy: 0.9064157757645626
Energy: 0.8511209056767647
Energy: 0.8485489623051294
Energy: 0.8530207978837494
Energy: 0.8502259608193381
Energy: 0.8834500706421408
Energy: 0.8566873453033202
Energy: 0.849788824035406
Energy: 0.9104678419959986
Energy: 0.8493774400847468
Energy: 0.8832503667221459
Energy: 0.8944699551768237
Energy: 0.8945409406151972
Energy: 0.8834365600120603
Energy: 0.8619703524044918
Energy: 0.894494360846172
Energy: 0.8828751480954853
Energy: 0.8837988029175369
Energy: 0.8838399438480901
Energy: 0.8917985813741093
Energy: 0.8645817298406323
Energy: 0.8831420451630155
Energy: 1.175320216489847
Energy: 0.8834940092691437
Energy: 0.8838124253438394
Energy: 0.9341978915586832
Energy: 0.8834152559613669
Energy: 0.878783304129594
Energy: 1.1434381117966899
Energy: 0.883396329714178
Energy: 0.883693368939318
Energy: 0.9336379619815228
Energy: 0.8835271032324108
Energy: 0.878851615730243
Energy: 0.882954616011608
Energy: 0.8646576832576165
Energy: 0.9001173793673685
Energy: 0.8920714303162539
Energy: 0.862513821318187
Energy: 0.8832877142532147
Energy: 0.9610200965113606
Energy: 0.8575052469525587
Energy: 0.857631408496789
Energy: 0.9619387881510936
Energy: 0.9069824419304516
Energy: 0.8580420143423146
Energy: 0.9323418684011867
Energy: 0.8661250840083344
Energy: 0.8660347945034229
Energy: 0.8647666759448738
Energy: 0.8663914171761432
Energy: 0.899129174481521
Energy: 0.9389914059401566
Energy: 0.8831692754521826
Energy: 0.8834217247016177
Energy: 0.8619937583937461
Energy: 0.8843261341621956
Energy: 0.8842553999733894
Energy: 1.009551282046989
Energy: 0.8831877496969386
Energy: 0.8670641875003253
Energy: 0.8646827946741567
Energy: 0.883315424860447
Energy: 0.8777290946164007
Energy: 0.8984235707876446
Energy: 0.8512844599592572
Energy: 0.8516322303474284
Energy: 0.8932479403395965
Energy: 0.8508192105398252
Energy: 0.8682612333828161
Energy: 0.8983924854297235
Energy: 0.85062838867081
Energy: 0.850845352241104
Energy: 0.927713114143911
Energy: 0.8547209045491805
Energy: 0.8507515622453206
Energy: 0.9162225403362773
Energy: 0.8521410749816825
Energy: 0.8839732398535186
Energy: 0.8801555840396571
Energy: 0.8613541921577427
Energy: 0.8635066671229367
Energy: 0.8909272975832748
Energy: 0.879561221322111
Energy: 0.8796446756656202
Energy: 0.8830143960909542
Energy: 0.893883369647517
Energy: 0.8795344071233918
Energy: 1.0636058706975884
Energy: 0.8689525315980835
Energy: 0.8950773374960166
Energy: 0.8795996631099855
Energy: 0.8649388186876744
Energy: 0.8632297857285972
Energy: 1.199044509032058
Energy: 1.072106038498671
Energy: 0.9972711143986469
Energy: 0.9678486058843541
Energy: 1.0707692888123344
Energy: 0.9359905964597452

minimum gb energy = 0.8474292392540914 eV
minimum distance =  2.22265827158761 Angstroms
sigma value = 57


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

Energy: 1.1397954575268592
Energy: 0.9951912137335328
Energy: 0.9927847759824473
Energy: 0.85173486917012
Energy: 1.0031469662533103
Energy: 0.9929430839402928
Energy: 0.8188039456392379
Energy: 0.8506725548399582
Energy: 0.851189911197798
Energy: 0.851508318215196
Energy: 0.8541832932858818
Energy: 0.843355428574465
Energy: 0.8435859486098684
Energy: 0.8170755263256868
Energy: 0.8168693677221934
Energy: 0.8442950489046769
Energy: 0.815465983485911
Energy: 0.8167743330727016
Energy: 0.8452275227694954
Energy: 0.8146292848786603
Energy: 0.8130688151425091
Energy: 0.8448852744823502
Energy: 0.8619092495878208
Energy: 0.8443200182991213
Energy: 0.8431647497860789
Energy: 0.8430029137175012
Energy: 0.8427831655999738
Energy: 0.8431966803588045
Energy: 0.8736926177831779
Energy: 0.8495138567071672
Energy: 0.8165819752157187
Energy: 0.8739101975030661
Energy: 0.8455257956133763
Energy: 0.8710552912363033
Energy: 0.843242767540115
Energy: 0.8439133985973123
Energy: 0.8442484998518174
Energy: 0.843642401916465
Energy: 0.8434875262790791
Energy: 0.872936322051388
Energy: 0.8438524111700795
Energy: 0.8433554680211196
Energy: 0.8418699767444937
Energy: 0.8429777022514762
Energy: 0.8551140201945021
Energy: 0.8433841277815233
Energy: 0.843571161590168
Energy: 0.9099284615686561
Energy: 0.8525312427132755
Energy: 0.8441618968222772
Energy: 0.8431469002314737
Energy: 0.8523355775542686
Energy: 0.8520049926721599
Energy: 0.8436527222786422
Energy: 0.9978963734911459
Energy: 0.8884934067795006
Energy: 0.889533991968645
Energy: 0.9987153925738183
Energy: 0.8885184021899281
Energy: 0.8886831333399633
Energy: 0.8935810806824128
Energy: 0.8896134144726856
Energy: 0.8439045382359784
Energy: 0.8536166780340175
Energy: 0.8523225593856901
Energy: 0.8436943079156906
Energy: 0.8164203716410361
Energy: 0.8979823166117558
Energy: 0.8937745953533037
Energy: 0.8137246023375622
Energy: 0.90046123519108
Energy: 0.914157386590265
Energy: 0.816064172624769
Energy: 0.8935963619671173
Energy: 0.9635596809016627
Energy: 0.9637739201552173
Energy: 0.9025388349292417
Energy: 0.9633805431373735
Energy: 0.8915245577523551
Energy: 0.8512201970794621
Energy: 0.8443155770436156
Energy: 0.854498913784821
Energy: 0.8540614981432474
Energy: 0.843100966225584
Energy: 0.8444909128379217
Energy: 0.8125164314459127
Energy: 0.8344116372668344
Energy: 0.8442814397513884
Energy: 0.815643791220893
Energy: 0.8339521179168439
Energy: 0.8441893566414693
Energy: 0.8439446003697594
Energy: 0.8437043094843714
Energy: 0.8452427586449273
Energy: 0.8415708370540131
Energy: 0.8442220075384578
Energy: 0.8428347606409459
Energy: 0.8421629315673572
Energy: 0.8449687447968337
Energy: 0.8430741952700805
Energy: 0.842419578202067
Energy: 0.8454913502204277
Energy: 0.8427397065097646
Energy: 0.8451365308212685
Energy: 0.8448474629237022
Energy: 0.8427631885945462
Energy: 0.8454420683255173
Energy: 0.8438190027449967
Energy: 0.8535007571690518
Energy: 0.8937106884878449
Energy: 0.8943969240842113
Energy: 0.8537242341995079
Energy: 0.8935470504894976
Energy: 0.8916428634815916
Energy: 0.8530535074226566
Energy: 0.8934377206054464
Energy: 0.8950416586675886
Energy: 0.8510642050375201
Energy: 0.893166816179415
Energy: 0.8933727061890823
Energy: 0.8523172507788093
Energy: 0.8515185206039223
Energy: 0.8514883641392584
Energy: 0.854835712569785
Energy: 0.8518119400326817
Energy: 0.843719717640056
Energy: 1.0107433274853577
Energy: 0.8876488657653921
Energy: 0.9029614522178038
Energy: 1.0095939957138527
Energy: 0.887988665073331
Energy: 0.9046033464547378
Energy: 0.8910095980792604
Energy: 0.8507667144413306
Energy: 0.8509289260246576
Energy: 0.854690806738763
Energy: 0.8540301447267097
Energy: 0.8438473368622441
Energy: 0.816098482702735
Energy: 0.8937274614680998
Energy: 0.9635429606878877
Energy: 0.9639121721139929
Energy: 0.8506178531839514
Energy: 0.9634618635554627

minimum gb energy = 0.8125164314459127 eV
minimum distance =  2.32654038679002 Angstroms
sigma value = 17


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

Energy: 1.2948984641936148
Energy: 1.0031535916481953
Energy: 1.0026938487306545
Energy: 0.822326688379189
Energy: 1.1139374148934396
Energy: 0.820682813977297
Energy: 0.7867952846474039
Energy: 0.8841930805640607
Energy: 0.8839652670947901
Energy: 0.885210645610326
Energy: 0.8850913803792017
Energy: 0.8228655123328932
Energy: 0.8541382032214084
Energy: 0.7870164305377555
Energy: 0.7870136880056829
Energy: 0.85809074642657
Energy: 0.7870594052804522
Energy: 0.7869089580426422
Energy: 0.8843195450292701
Energy: 0.7869859634734573
Energy: 0.7871514345944577
Energy: 0.8845182134780156
Energy: 0.7877042019629629
Energy: 0.8571373386946641
Energy: 0.8918629042938496
Energy: 0.7982404599966485
Energy: 0.7979580758566175
Energy: 0.892604678704641
Energy: 0.7983823713834898
Energy: 0.7969061155306035
Energy: 0.7877753193762338
Energy: 0.7688653071903042
Energy: 0.7982205878646087
Energy: 0.7968796626714941
Energy: 0.7689999401089634
Energy: 0.7941580863882439
Energy: 0.7776874303025199
Energy: 0.7698402556042517
Energy: 0.7697638786488005
Energy: 0.7705408927730104
Energy: 0.7696871318820575
Energy: 0.788674356057406
Energy: 0.7763570275663163
Energy: 0.79823655812251
Energy: 0.7980763242067992
Energy: 0.7981069446089815
Energy: 0.798278034174184
Energy: 0.8181581224220756
Energy: 0.7773384523420502
Energy: 0.8021099316060765
Energy: 0.8029562048997585
Energy: 0.77748802462706
Energy: 0.8015621325013178
Energy: 0.7759347357741851
Energy: 0.7686682874809088
Energy: 0.798200540481487
Energy: 0.7981660192953665
Energy: 0.7687537576919033
Energy: 0.7992230486592365
Energy: 0.7980596830957988
Energy: 0.770396040478712
Energy: 0.8278218891425518
Energy: 0.7985860504685302
Energy: 0.798389371966748
Energy: 0.8843287051209653
Energy: 0.797856244354934
Energy: 0.8811160540892348
Energy: 0.884593219833448
Energy: 0.8846723053577957
Energy: 0.8960274442365539
Energy: 0.8849220965381502
Energy: 0.8846824506338545
Energy: 0.8806947597216954
Energy: 0.8808696571319315
Energy: 0.8809881253859417
Energy: 0.7969588466887252
Energy: 0.8804809263529624
Energy: 0.8811506348753053
Energy: 0.8903722861847102
Energy: 0.8844158817423025
Energy: 0.8844334066243955
Energy: 0.8851976078694654
Energy: 0.8846115887496846
Energy: 0.8227893614565779
Energy: 1.0437327226741648
Energy: 0.8772969288565557
Energy: 0.8773415998561368
Energy: 1.0438102760826016
Energy: 0.8773254780801646
Energy: 0.8765922377205362
Energy: 0.8982381997398253
Energy: 0.8919365747514696
Energy: 0.8229498233763427
Energy: 0.8849654313371548
Energy: 0.8925681537785205
Energy: 0.8838600313815566
Energy: 0.8689400419556181
Energy: 0.8805650349514448
Energy: 0.9683714165701238
Energy: 0.9098187283330166
Energy: 0.8802757312830932
Energy: 0.968466882029885

minimum gb energy = 0.7686682874809088 eV
minimum distance =  2.30215401413817 Angstroms
sigma value = 17


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

Energy: 1.3726187123504496
Energy: 0.9559706937463948
Energy: 0.7964035504213817
Energy: 0.795097834937096
Energy: 0.8631865998142918
Energy: 0.7947513706216689
Energy: 0.7686081882216903
Energy: 0.8556205822544461
Energy: 0.8553959706826291
Energy: 0.8555038920340078
Energy: 0.8567768161391128
Energy: 0.7531938947910709
Energy: 1.0220123685523659
Energy: 0.7384101413801375
Energy: 0.7688901091337341
Energy: 0.8564438424352551
Energy: 0.7382424619943825
Energy: 0.7690686269717979
Energy: 0.8553509521094048
Energy: 0.7687500693152104
Energy: 0.7688708713606087
Energy: 0.8553931688492357
Energy: 0.7295346137784257
Energy: 0.7687863515101611
Energy: 0.7515012598583006
Energy: 0.7573845637477449
Energy: 0.7588357013598118
Energy: 0.7521150215271066
Energy: 0.7623544960177011
Energy: 0.7572628931004507
Energy: 0.6787359179369715
Energy: 0.7357674952860472
Energy: 0.7378614272737882
Energy: 0.7381811433084641
Energy: 0.7360903508814313
Energy: 0.738072547859304
Energy: 0.6899286791625395
Energy: 0.7359906782552487
Energy: 0.7360106157000774
Energy: 0.7250957166279577
Energy: 0.7386597775797386
Energy: 0.733854442404289
Energy: 0.6907905686190621
Energy: 0.7208506541665092
Energy: 0.7299711197624492
Energy: 0.7479288892898857
Energy: 0.7211585286806668
Energy: 0.7296622258822951
Energy: 0.6914583647724467
Energy: 0.7297624238910544
Energy: 0.7318012230415963
Energy: 0.6925629384952541
Energy: 0.7107110232706991
Energy: 0.6904990445431292
Energy: 0.6899213067710317
Energy: 0.7274230693948708
Energy: 0.727031129561284
Energy: 0.6902027684992389
Energy: 0.7271792037833783
Energy: 0.7271214619110195
Energy: 0.6900532945903538
Energy: 0.6902826896551926
Energy: 0.7268026063985582
Energy: 0.7276094856079042
Energy: 0.6903688090967595
Energy: 0.7266266940734563
Energy: 0.6928570032713517
Energy: 0.6907269021980679
Energy: 0.6902267871533774
Energy: 0.7117714143421244
Energy: 0.6908121385315311
Energy: 0.716308964647585
Energy: 0.7360421159958997
Energy: 0.7301744924765302
Energy: 0.7298437191611692
Energy: 0.7302533194399071
Energy: 0.7163621616615111
Energy: 0.7299351988330944
Energy: 0.736367998478608
Energy: 0.7230577997126959
Energy: 0.7366958523473708
Energy: 0.7374777740174437
Energy: 0.7226401162300361
Energy: 0.7350158258436897
Energy: 0.7359016929388501
Energy: 0.7299498086549908
Energy: 0.7300727312210203
Energy: 0.7357689152195425
Energy: 0.7315759341888268
Energy: 0.7569610754789067
Energy: 0.9470143071356671
Energy: 0.8561547655038861
Energy: 0.7572530490968188
Energy: 0.7365217933018641
Energy: 0.8563152257886182
Energy: 0.7595475098893172
Energy: 0.6902194299197318
Energy: 0.856275003420201
Energy: 0.8555364475684294
Energy: 0.7325596453413467
Energy: 0.8568530181482994
Energy: 0.7564163358253613
Energy: 0.7479301087909425
Energy: 0.8526796957470048
Energy: 0.8520049010439126
Energy: 0.737010814426523
Energy: 0.8527940539950287
Energy: 0.7562662483646668
Energy: 0.9583975896892806
Energy: 0.8556860159650738
Energy: 0.7931705241766378
Energy: 0.8571794291241647
Energy: 0.7390262500057927
Energy: 0.7599708336140861
Energy: 1.023965937700599
Energy: 0.7577114981098695
Energy: 0.757462421748047
Energy: 0.8530402213551126
Energy: 0.7583066657142039
Energy: 0.8519797699382811
Energy: 1.0055404224471867
Energy: 0.8551709571691489
Energy: 0.8558763786685127
Energy: 0.8578868184313354
Energy: 0.8555427486866273
Energy: 0.8553442976485905
Energy: 0.6996550509386325
Energy: 0.8519766960530029
Energy: 0.931287840348107
Energy: 0.7679945182817551
Energy: 0.8522515722485227
Energy: 0.7682029057346692
Energy: 0.8282818918192933
Energy: 0.8568155852611204
Energy: 0.855406126098424
Energy: 0.8285431621682143
Energy: 0.856577250860367
Energy: 0.9354150898424505
Energy: 1.0041292133444697
Energy: 0.7573337344530394
Energy: 0.7569729725304747
Energy: 0.8575590792856643
Energy: 0.8499595753489837
Energy: 0.855430067321321
Energy: 0.8518955710426785
Energy: 0.7392475724313473
Energy: 0.7689783622332188
Energy: 0.8517753122804722
Energy: 0.7396918459318865
Energy: 0.7687151423501762
Energy: 0.8577979748019546
Energy: 0.7395321588331198
Energy: 0.760159897029464
Energy: 0.858817681779751
Energy: 0.7395875664522551
Energy: 0.794977251207213
Energy: 0.6789006207959363
Energy: 0.7572128805161309
Energy: 0.7575018400145535
Energy: 0.7379897701192382
Energy: 0.7575133222108885
Energy: 0.7378102913695717
Energy: 0.7364110651837695
Energy: 0.7368228807246331
Energy: 0.7352784198934382
Energy: 0.7366393809783988
Energy: 0.7370036101016151
Energy: 0.7354222516115646
Energy: 0.8253793152510934
Energy: 0.7367969555658402
Energy: 0.7359633229012024
Energy: 0.7210024472824109
Energy: 0.7362037110457065
Energy: 0.7356758548581704
Energy: 0.6908626624448592
Energy: 0.720840366563105
Energy: 0.7297476189818076
Energy: 0.6909069856022391
Energy: 0.7211803865339218
Energy: 0.7297451206635539
Energy: 0.6957956837241626
Energy: 0.7264487267274361
Energy: 0.7297367138423413
Energy: 0.6902617737318559
Energy: 0.7264285939028634
Energy: 0.7166451117881041
Energy: 0.6904534509737471
Energy: 0.7265210828126144
Energy: 0.7261115985950586
Energy: 0.7350685412860192
Energy: 0.7269538182845877
Energy: 0.7300720579212562
Energy: 0.7031185387202389
Energy: 0.690649946090865
Energy: 0.6907681721614641
Energy: 0.7042940984384886
Energy: 0.691984439823439
Energy: 0.6906783242300539
Energy: 0.6903584929335423
Energy: 0.7300494931586463
Energy: 0.7383241987530477
Energy: 0.7483360411874704
Energy: 0.690543771599351
Energy: 0.7368755756937352
Energy: 0.7353554487059566
Energy: 0.7367017397234912
Energy: 0.7365933806163325
Energy: 0.7354680273661733
Energy: 0.7374921369946946
Energy: 0.7376770558665853
Energy: 0.7357953610621984
Energy: 0.7300304470864021
Energy: 0.7570112278258898
Energy: 0.7358702534354613
Energy: 0.7301432509349863
Energy: 0.7573216177160378
Energy: 0.9533506997564434
Energy: 0.7569724930955026
Energy: 0.7568384191243883
Energy: 0.7368047238402747
Energy: 0.7382438046491654
Energy: 0.7571862816785221
Energy: 0.8177500254120382
Energy: 0.8570495320477547
Energy: 0.8547910434959128
Energy: 0.7478699468901056
Energy: 0.8566600066555644
Energy: 0.7595107879087429
Energy: 0.6891508252142009
Energy: 0.8534543903659364
Energy: 0.7564823607405796
Energy: 0.7569377617449689
Energy: 0.8546467544281381
Energy: 0.7568829917108408
Energy: 0.7355905355681936
Energy: 0.8559124566334916
Energy: 0.8554059942656081
Energy: 0.8553086075595218
Energy: 0.8583350379192778
Energy: 0.7948366066671694
Energy: 0.9541341070801552
Energy: 0.7573502497834069
Energy: 0.8486234449807136
Energy: 0.8565667818288432
Energy: 0.7576038877211898
Energy: 0.8494177304888642
Energy: 1.0042084022608018
Energy: 0.7934102772199837
Energy: 0.8484964893992654
Energy: 0.8585084674180311
Energy: 0.853951601996376
Energy: 0.8560042649697899
Energy: 0.8278597667195606
Energy: 0.8526088546490003
Energy: 0.8524564240962637
Energy: 0.8284104222721533
Energy: 0.8532298832724742
Energy: 0.9357752096050606

minimum gb energy = 0.6787359179369715 eV
minimum distance =  2.25464076515319 Angstroms
sigma value = 57


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

Energy: 0.6378226566665842
Energy: 0.9036661866245491
Energy: 0.7655734505515871
Energy: 0.7231916264137868
Energy: 0.8387257583341063
Energy: 0.7636569386640928
Energy: 0.9046050015028984
Energy: 0.8220555638139541
Energy: 0.7243184579174006
Energy: 0.817181584142923
Energy: 0.8197222574039255
Energy: 0.7157665534214349
Energy: 0.9025686289386047
Energy: 0.696366722313094
Energy: 0.6963713982049975
Energy: 0.8164603332231765
Energy: 0.6964451505419118
Energy: 0.7424877064420136
Energy: 0.8199509174244363
Energy: 0.6965853982168614
Energy: 0.7391806686384153
Energy: 0.8228244744279748
Energy: 0.6924889783655742
Energy: 0.7426256614744345
Energy: 0.7002565376086889
Energy: 0.7231829430443061
Energy: 0.7257052586690051
Energy: 0.7208921520509584
Energy: 0.7106207152755344
Energy: 0.7231670075928212
Energy: 0.6227253232321583
Energy: 0.7081884343575272
Energy: 0.695611105960678
Energy: 0.6702719146895977
Energy: 0.7083135199314713
Energy: 0.6962314309939094
Energy: 0.8730834184698587
Energy: 0.709762233457424
Energy: 0.7091068165519427
Energy: 0.6848125550737034
Energy: 0.7115522269066832
Energy: 0.6913480340701192
Energy: 0.8588159646279375
Energy: 0.6691709075919299
Energy: 0.6691462048789872
Energy: 0.6748571446902574
Energy: 0.6680983473926176
Energy: 0.6826426827550927
Energy: 0.6564486502144049
Energy: 0.6795474483903154
Energy: 0.6741471406867172
Energy: 0.6560442653566385
Energy: 0.6727480294465666
Energy: 0.6544074469093286
Energy: 0.6545322699566702
Energy: 0.6718194030931242
Energy: 0.671535622421472
Energy: 0.6545465846128975
Energy: 0.7295798123766746
Energy: 0.6701811468879145
Energy: 0.6348200671584918
Energy: 0.6295994075223225
Energy: 0.6647814090313711
Energy: 0.660284015033845
Energy: 0.629750942505137
Energy: 0.6649102439941923
Energy: 0.6579062364717093
Energy: 0.6297714487442181
Energy: 0.6299048210945766
Energy: 0.664419259433695
Energy: 0.6339102254682412
Energy: 0.6672850040491419
Energy: 0.6290077033509656
Energy: 0.6914729843945074
Energy: 0.6690149183443261
Energy: 0.6644860179209905
Energy: 0.669755683208033
Energy: 0.6683392326094536
Energy: 0.6304633586169834
Energy: 0.6660033000598048
Energy: 0.6293175529101125
Energy: 0.6321101868127527
Energy: 0.7661504288937057
Energy: 0.6297253699955204
Energy: 0.6299748006318328
Energy: 0.6656500816806328
Energy: 0.6652236354088006
Energy: 0.6297034019255423
Energy: 0.6782335940527522
Energy: 0.6653798287671562
Energy: 0.7608339689192807
Energy: 0.653955871959917
Energy: 0.6680381633107465
Energy: 0.6687216709457603
Energy: 0.6538418303885275
Energy: 0.6835194296282149
Energy: 0.631363021604474
Energy: 0.6540819943381059
Energy: 0.6541343681148463
Energy: 0.6655153515440781
Energy: 0.6611417119403127
Energy: 0.6800347467164666
Energy: 0.7089330734605539
Energy: 0.70862715041092
Energy: 0.6882037033385658
Energy: 0.7085333666900154
Energy: 0.6782131789393486
Energy: 0.6802565958388059
Energy: 0.7085886806686914
Energy: 0.6889780568610173
Energy: 0.7078245100570657
Energy: 0.7096741077260109
Energy: 0.6873094904844893
Energy: 0.7083822295784683
Energy: 0.803808106274861
Energy: 0.683704629808112
Energy: 0.683452998905675
Energy: 0.732915042811546
Energy: 0.6835524909726597
Energy: 0.7247529370556145
Energy: 0.8923578415940447
Energy: 0.8189562401142474
Energy: 0.721906066688294
Energy: 0.7111615555262616
Energy: 0.8190458991733327
Energy: 0.7212551068642012
Energy: 0.6297163386087019
Energy: 0.8147910618445457
Energy: 0.7075281325201914
Energy: 0.684168464355439
Energy: 0.8143163845017037
Energy: 0.7195759790537244
Energy: 0.7194167649968866
Energy: 0.8142670629752505
Energy: 0.8140048718497916
Energy: 0.7344098873578323
Energy: 0.8168724512740148
Energy: 0.8090443814659615
Energy: 0.9015140482814854
Energy: 0.7112710019930928
Energy: 0.7207586751845622
Energy: 0.8203522010125048
Energy: 0.710791419385314
Energy: 0.7204678112760298
Energy: 0.9572411367909951
Energy: 0.722429499999942
Energy: 0.7225542770395603
Energy: 0.8135287530427416
Energy: 0.7224913053524359
Energy: 0.8129302186026446
Energy: 0.913042035662371
Energy: 0.8180637362845478
Energy: 0.8183625843660198
Energy: 0.8213738301459829
Energy: 0.8212865060791175
Energy: 0.7209049101492115
Energy: 0.635443589103397
Energy: 0.813999148257943
Energy: 0.7426544420998988
Energy: 0.6999529770836689
Energy: 0.8138420012319182
Energy: 0.7422179967980755

minimum gb energy = 0.6227253232321583 eV
minimum distance =  2.30392652320753 Angstroms
sigma value = 43


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

Energy: 0.7226878951152278
Energy: 0.7986791364431014
Energy: 0.6882736858638844
Energy: 0.6460364066226107
Energy: 0.7177349254352634
Energy: 0.6767796280613895
Energy: 0.7836360644457804
Energy: 0.7149878769857182
Energy: 0.608194842772651
Energy: 0.7217451200159926
Energy: 0.7147840501310583
Energy: 0.6040876635829584
Energy: 0.7765182268004989
Energy: 0.5756544445176358
Energy: 0.5967844403548449
Energy: 0.7137373607827447
Energy: 0.5758941216053618
Energy: 0.5632436493293702
Energy: 0.7136538828086699
Energy: 0.5972702774350632
Energy: 0.5970942804483863
Energy: 0.713657638821534
Energy: 0.5848700238510112
Energy: 0.6397586629143096
Energy: 0.7056169933495958
Energy: 0.6297085801270685
Energy: 0.6279789377648151
Energy: 0.6153201183874598
Energy: 0.6298282934268292
Energy: 0.6087855097812006
Energy: 0.528767971862087
Energy: 0.6294023792624873
Energy: 0.560104364395815
Energy: 0.5588697547127792
Energy: 0.6294712067413287
Energy: 0.5708012899395635
Energy: 0.7514410581759932
Energy: 0.6294812916418239
Energy: 0.6298309398622062
Energy: 0.5857204790648143
Energy: 0.6294339999117079
Energy: 0.6341728009050608
Energy: 0.7420386328204104
Energy: 0.5557133851488492
Energy: 0.5673350126829854
Energy: 0.5848588254149156
Energy: 0.5556864823513085
Energy: 0.5672106133229996
Energy: 0.5823811413316199
Energy: 0.5672547050231839
Energy: 0.5863355037473038
Energy: 0.5818268085186719
Energy: 0.5766176037903012
Energy: 0.5809326087573065
Energy: 0.5810913608897599
Energy: 0.56968379053475
Energy: 0.5704670914693452
Energy: 0.5810605313469541
Energy: 0.5696496982152203
Energy: 0.5832898327360273
Energy: 0.5253646275761535
Energy: 0.5513221201385883
Energy: 0.5580153646159709
Energy: 0.5486922096868497
Energy: 0.5512331600617635
Energy: 0.5531936467775791
Energy: 0.5808397104792862
Energy: 0.5512581092151959
Energy: 0.5512815201449065
Energy: 0.5700012044621934
Energy: 0.5513706481188299
Energy: 0.5713801776716112
Energy: 0.7218671065565484
Energy: 0.5474829050421948
Energy: 0.5496269074813056
Energy: 0.569121825080386
Energy: 0.5474858291321244
Energy: 0.5490990672552617
Energy: 0.5343271896978123
Energy: 0.5491667317768613
Energy: 0.5339671375018146
Energy: 0.5355184692390556
Energy: 0.5593170088127931
Energy: 0.5340929143882467
Energy: 0.5339478320269274
Energy: 0.5493979988497599
Energy: 0.5483897275570029
Energy: 0.533978083133035
Energy: 0.546612971342848
Energy: 0.5506045826723411
Energy: 0.5271503847784368
Energy: 0.5260837544741079
Energy: 0.5454406297929892
Energy: 0.5475239212812113
Energy: 0.5260920852355127
Energy: 0.546251494325064
Energy: 0.5337275639370135
Energy: 0.5259630318412805
Energy: 0.5260793453233849
Energy: 0.5490373317779872
Energy: 0.5259828855522605
Energy: 0.5491535063495013
Energy: 0.5260989833950009
Energy: 0.5834817326154628
Energy: 0.5668736410599883
Energy: 0.5259139077054964
Energy: 0.5790225359809672
Energy: 0.5516795681423595
Energy: 0.5259710299602695
Energy: 0.5475028744109385
Energy: 0.5261290783224103
Energy: 0.5272444325796972
Energy: 0.5506667239452261
Energy: 0.5260651343676633
Energy: 0.6295607949641057
Energy: 0.5835809773077936
Energy: 0.5857157147456776
Energy: 0.6286789423866255
Energy: 0.5838500159332375
Energy: 0.5568247130621559
Energy: 0.5510569411240559
Energy: 0.5337320495535149
Energy: 0.5340124592709476
Energy: 0.5571121996413639
Energy: 0.5337538880628073
Energy: 0.5596602426421298
Energy: 0.5283254857802263
Energy: 0.534019547734519
Energy: 0.5341829279735414
Energy: 0.5493526777727196
Energy: 0.5337818733307089
Energy: 0.5490053370032323
Energy: 0.5513873669330757
Energy: 0.5520455059470734
Energy: 0.5520711261623841
Energy: 0.5513321894012918
Energy: 0.5496103596763854
Energy: 0.5520668461916027
Energy: 0.5516788187652382
Energy: 0.5704377860011262
Energy: 0.5509168134176695
Energy: 0.552878670119625
Energy: 0.5692178774944863
Energy: 0.5508687046583234
Energy: 0.7288888563956402
Energy: 0.5515198129755404
Energy: 0.5580775492026039
Energy: 0.5732301285110833
Energy: 0.5516318144411301
Energy: 0.5579714785032046
Energy: 0.7467464119064973
Energy: 0.5811460764956792
Energy: 0.5809895826992342
Energy: 0.5727024173662045
Energy: 0.5810580866103975
Energy: 0.5713669998194508
Energy: 0.5279550407492036
Energy: 0.5808773663812514
Energy: 0.5778286963848357
Energy: 0.5538072378053831
Energy: 0.5808814033165284
Energy: 0.5619737181034354
Energy: 0.6106706868103197
Energy: 0.586105244304398
Energy: 0.577854607267707
Energy: 0.6344751839409383
Energy: 0.5864833367546373
Energy: 0.5744293542090365
Energy: 0.6305375866716048
Energy: 0.5820856591007771
Energy: 0.6292738801877118
Energy: 0.6312844387453306
Energy: 0.5724765196510828
Energy: 0.6294395684055032
Energy: 0.7696158872462787
Energy: 0.5654548601110387
Energy: 0.582290043065385
Energy: 0.6294178670580404
Energy: 0.5654750589533792
Energy: 0.5821405999289606
Energy: 0.7680028873390521
Energy: 0.6271257198156269
Energy: 0.6280310966192749
Energy: 0.6292455210832464
Energy: 0.715326729253645
Energy: 0.6242786414812685
Energy: 0.5355026673505301
Energy: 0.7135528974438841
Energy: 0.6102596338675925
Energy: 0.5730315580704478
Energy: 0.7131886636870852
Energy: 0.5936366883664567
Energy: 0.7041478153486709
Energy: 0.7141687585756383
Energy: 0.7141321243232307
Energy: 0.6287203265590926
Energy: 0.7148743147160052
Energy: 0.6070828964088667
Energy: 0.7766014912625188
Energy: 0.6271009391127922
Energy: 0.6270205553272138
Energy: 0.7140479651351095
Energy: 0.580279352425722
Energy: 0.7109753288097745
Energy: 0.7767543992756824
Energy: 0.6010570624353841
Energy: 0.6317925707804704
Energy: 0.713760727341032
Energy: 0.5813260533643112
Energy: 0.6365598398247239
Energy: 0.776673213996078
Energy: 0.7151325362318063
Energy: 0.6962549827796485
Energy: 0.7192789885174641
Energy: 0.7148486376581105
Energy: 0.6039581781783951

minimum gb energy = 0.5253646275761535 eV
minimum distance =  2.3425241385982 Angstroms
sigma value = 81


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

Energy: 0.0387003500151234
Energy: 0.5323496957324296
Energy: 0.03947870532351625
Energy: 0.04073951190254792
Energy: 0.05016346907357482
Energy: 0.03903937475607144
Energy: 0.07276344850830357
Energy: 0.05071752728563104
Energy: 0.04997871561200358
Energy: 0.078632587362847
Energy: 0.0512650663198145
Energy: 0.04993273941930635
Energy: 0.07904622986797691
Energy: 0.03897136431683805
Energy: 0.03915152590554325
Energy: 0.07860455066199516
Energy: 0.03888087234996724
Energy: 0.07185055308502672
Energy: 0.05013899174170579
Energy: 0.03921038321305864
Energy: 0.03900063941219192
Energy: 0.05004805794763422
Energy: 0.03894550947192546
Energy: 0.07245121206660586
Energy: 0.07179059841619793
Energy: 0.07722728980371371
Energy: 0.07732482768080376
Energy: 0.07279130848321208
Energy: 0.07724971892474997
Energy: 0.0775609052019866
Energy: 0.039430108910745686
Energy: 0.050054869280320685
Energy: 0.03919700441732544
Energy: 0.040656309221881355
Energy: 0.050366567322719394
Energy: 0.03914858316262454
Energy: 0.07875106426637545
Energy: 0.05040459065227835
Energy: 0.05027105298648262
Energy: 1.2148374056370428
Energy: 0.05013786867347249
Energy: 0.05009742525796415
Energy: 0.07908268880289837
Energy: 0.03897079810479101
Energy: 0.0391563012535686
Energy: 0.07864082375759435
Energy: 0.03901142315329662
Energy: 0.07225049103849994
Energy: 0.05105872392500963
Energy: 0.03920241127545173
Energy: 0.07278434454240404
Energy: 0.9511543867760224
Energy: 0.03920637574367033
Energy: 0.07386258547756222
Energy: 0.03926261303108499
Energy: 0.07711684469789913
Energy: 0.07739141616185675
Energy: 0.039102540427838645
Energy: 0.07724622227381242
Energy: 0.07718215904035433

minimum gb energy = 0.0387003500151234 eV
minimum distance =  2.5273690552442 Angstroms
sigma value = 3


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

Energy: 0.6649816018245494
Energy: 0.6986347729987685
Energy: 0.6639225506436455
Energy: 0.6174857509696358
Energy: 0.7185812990844992
Energy: 0.6207823656526748
Energy: 0.6952191212407581
Energy: 0.7000689838853098
Energy: 0.6687692075083782
Energy: 0.6695742378843798
Energy: 0.7073418607728262
Energy: 0.6600519753345446
Energy: 0.7970143440769283
Energy: 0.6530660574266673
Energy: 0.6524552722345948
Energy: 0.7258368704295879
Energy: 0.654201550138361
Energy: 0.6621939222857381
Energy: 0.6696229590821392
Energy: 0.6546026702624533
Energy: 0.6543592652794707
Energy: 0.6688418060586736
Energy: 0.5989986014698664
Energy: 0.6612708802649281
Energy: 0.6041852448319917
Energy: 0.705935057933635
Energy: 0.6905543636796432
Energy: 0.6040983586890679
Energy: 0.7080878450129137
Energy: 0.6603783872773036
Energy: 0.639110714072912
Energy: 0.6776599019996387
Energy: 0.6577596276985139
Energy: 0.6401800252598554
Energy: 0.6777730500166752
Energy: 0.6402291151924365
Energy: 0.6732581963600961
Energy: 0.6170892687963623
Energy: 0.6589690204229056
Energy: 0.6723408273154666
Energy: 0.6193900200853057
Energy: 0.6702537567850809
Energy: 0.7297151561540351
Energy: 0.6482716026432451
Energy: 0.6482132524073166
Energy: 0.7301083756063403
Energy: 0.6210052245062286
Energy: 0.6222993977750383
Energy: 0.6687768535075301
Energy: 0.6478058380718285
Energy: 0.6741810499562917
Energy: 0.6699860985456018
Energy: 0.5679233676950575
Energy: 0.6766101035489536
Energy: 0.6210438097224789
Energy: 0.615934724084081
Energy: 0.6160224525032322
Energy: 0.6211484769658151
Energy: 0.6165251502475108
Energy: 0.6162915964187288
Energy: 0.6357087813620309
Energy: 0.651889989090162
Energy: 0.6514003656953784
Energy: 0.6287509081329423
Energy: 0.6430284446688528
Energy: 0.6289959844994005
Energy: 0.5775729723115575
Energy: 0.6587902397460912
Energy: 0.6560909266688006
Energy: 0.5762123801623206
Energy: 0.6507265230694601
Energy: 0.5750979966106173
Energy: 0.5756284263599076
Energy: 0.6154809760782546
Energy: 0.6364262850363742
Energy: 0.5759645629978002
Energy: 0.6154125138726299
Energy: 0.5763077355107784
Energy: 0.626358181598803
Energy: 0.594540680153617
Energy: 0.6358222519148169
Energy: 0.6356288130333085
Energy: 0.5511768686964792
Energy: 0.6364504770724511
Energy: 0.6267298545353152
Energy: 0.5480224125454203
Energy: 0.5476946702513054
Energy: 0.6265771870941377
Energy: 0.5484691730363253
Energy: 0.5471404561443133
Energy: 0.6269754160997968
Energy: 0.6217436050696796
Energy: 0.6220135779023014
Energy: 0.6222301318845244
Energy: 0.6198323547898436
Energy: 0.6225002171774359
Energy: 0.5342905441691741
Energy: 0.6246386275249541
Energy: 0.6232427624143044
Energy: 0.5342157926981908
Energy: 0.6224973782266338
Energy: 0.5344053587946753
Energy: 0.5340831252518229
Energy: 0.6171941558960969
Energy: 0.6168362542761137
Energy: 0.5340611337467022
Energy: 0.6168803630347793
Energy: 0.6164664559604215
Energy: 0.6178777951065101
Energy: 0.5816366226889156
Energy: 0.6174731642492086
Energy: 0.6172669671845121
Energy: 0.5346864618500947
Energy: 0.61705588713469
Energy: 0.6181261813152795
Energy: 0.5329233034051101
Energy: 0.5330589645121424
Energy: 0.6192176959866336
Energy: 0.5336540727301139
Energy: 0.5330385197917449
Energy: 0.6191751154930102
Energy: 0.6221439620899013
Energy: 0.6227597571472547
Energy: 0.6176747556610795
Energy: 0.626775591230025
Energy: 0.6223534177337283
Energy: 0.5496401668931172
Energy: 0.6223348128248256
Energy: 0.5871016255542287
Energy: 0.5483600249465457
Energy: 0.6270263474780867
Energy: 0.5477580403717149
Energy: 0.5508649094678182
Energy: 0.6358536929353624
Energy: 0.635754596413002
Energy: 0.551104551007497
Energy: 0.6360222373158726
Energy: 0.6358359570389291
Energy: 0.6304620260587545
Energy: 0.5755064249389367
Energy: 0.5755821927369885
Energy: 0.6247329456950497
Energy: 0.5759599295851032
Energy: 0.6243026433670076
Energy: 0.5955829993433271
Energy: 0.5750080501660958
Energy: 0.5746167091876881
Energy: 0.6449300185067256
Energy: 0.5776848639154957
Energy: 0.5750353782811753
Energy: 0.6457289717534284
Energy: 0.6401544967480327
Energy: 0.6401662859226019
Energy: 0.6432542892741749
Energy: 0.6153211268814177
Energy: 0.6571759999661138
Energy: 0.6152735917292218
Energy: 0.6394241419697414
Energy: 0.6164007303434244
Energy: 0.6153956432393556
Energy: 0.6484154628381402
Energy: 0.6154305665681096
Energy: 0.5877880602754054
Energy: 0.6747063900451986
Energy: 0.6751175929122436
Energy: 0.5874699394685338
Energy: 0.6740574729030159
Energy: 0.6752612156975675
Energy: 0.6411023445766246
Energy: 0.7281913520142167
Energy: 0.6450937368299423
Energy: 0.6330766294055353
Energy: 0.7285611180047277
Energy: 0.6331228717078845
Energy: 0.6187855196716187
Energy: 0.6686880382566798
Energy: 0.6595535532670467
Energy: 0.616141905482194
Energy: 0.6747493879356203
Energy: 0.6699781397761789
Energy: 0.6779684147286996
Energy: 0.6550470715853397
Energy: 0.6550426100089068
Energy: 0.6778694033764899
Energy: 0.6255299491600607
Energy: 0.6549080282583357
Energy: 0.7100403890154021
Energy: 0.6548523316470323
Energy: 0.6739487145995166
Energy: 0.7065416565335868
Energy: 0.6175497738364171
Energy: 0.7043159343408049
Energy: 0.6193217476595021
Energy: 0.667481140971522
Energy: 0.6675313172618313
Energy: 0.6192314307956386
Energy: 0.6675593970662066
Energy: 0.6501319416091035

minimum gb energy = 0.5329233034051101 eV
minimum distance =  2.2501459267914 Angstroms
sigma value = 67


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

Energy: 0.8178631695405731
Energy: 0.8119027654968906
Energy: 0.815663731339574
Energy: 0.7991490585105643
Energy: 0.7929155680821586
Energy: 0.8132946147868101
Energy: 0.8094458534929874
Energy: 0.8279754429449823
Energy: 0.823711576264485
Energy: 0.8235007242286007
Energy: 0.829297889289414
Energy: 0.8112079914437105
Energy: 0.9063786170100374
Energy: 0.779819642578049
Energy: 0.7820090463675898
Energy: 0.8099139060717447
Energy: 0.7799784856595547
Energy: 0.7818506681262025
Energy: 0.7800256688138085
Energy: 0.7866238100056216
Energy: 0.7829675488145484
Energy: 0.7774649187326637
Energy: 0.7761779654436164
Energy: 0.7843901458559298
Energy: 0.7751968523988683
Energy: 0.8227272371113552
Energy: 0.8077549838882621
Energy: 0.775450372641454
Energy: 0.8280623505221707
Energy: 0.8084892733078629
Energy: 0.7718882280543343
Energy: 0.790752955021719
Energy: 0.7820290506890129
Energy: 0.7064440862636205
Energy: 0.7906874853293431
Energy: 0.7827040100622579
Energy: 0.7771401496749821
Energy: 0.7634240575226707
Energy: 0.7629409340253799
Energy: 0.7770915327511158
Energy: 0.7634910332628212
Energy: 0.7613652996619228
Energy: 0.8221777667360626
Energy: 0.7741209198149945
Energy: 0.7744090921648135
Energy: 0.823375894177001
Energy: 0.773891007375653
Energy: 0.7771194102089193
Energy: 0.7757817326582424
Energy: 0.7884417634568546
Energy: 0.7862395113420368
Energy: 0.7760785347849358
Energy: 0.7099484359841678
Energy: 0.7865208477292917
Energy: 0.7814554169950746
Energy: 0.7108167075915065
Energy: 0.7104969602185404
Energy: 0.7768928717540972
Energy: 0.7122949951341226
Energy: 0.7105933827324048
Energy: 0.7771594808605679
Energy: 0.760800298812916
Energy: 0.7769809757726445
Energy: 0.7769009475390474
Energy: 0.7870537613325234
Energy: 0.7767448066395365
Energy: 0.681087462234315
Energy: 0.7774342846477137
Energy: 0.7776992022595196
Energy: 0.6812449812115808
Energy: 0.7690072881295423
Energy: 0.6804206026477421
Energy: 0.6789829995248025
Energy: 0.7703845912815454
Energy: 0.7730965661650634
Energy: 0.6791321200334155
Energy: 0.7703991608385776
Energy: 0.6802693936020802
Energy: 0.7607500745856512
Energy: 0.7271520648099943
Energy: 0.7720666952187983
Energy: 0.725525699540442
Energy: 0.7400343542207986
Energy: 0.7713511966345313
Energy: 0.7599444517717758
Energy: 0.682979710880347
Energy: 0.6802551171070215
Energy: 0.761137857829225
Energy: 0.6809083363542211
Energy: 0.680242509294892
Energy: 0.7614543348698066
Energy: 0.7772304304315965
Energy: 0.7781443333251217
Energy: 0.763531028867669
Energy: 0.7288331411058085
Energy: 0.7772914297192621
Energy: 0.733020582504801
Energy: 0.7677553056804233
Energy: 0.7722574746721926
Energy: 0.732969045500707
Energy: 0.7678227198420773
Energy: 0.7252407277580903
Energy: 0.7094523831855258
Energy: 0.7892659612089837
Energy: 0.7877251835496056
Energy: 0.7091749723812233
Energy: 0.7753717254728953
Energy: 0.7093562952146996
Energy: 0.7585326381974904
Energy: 0.7758163086766479
Energy: 0.7808215738734795
Energy: 0.6834102671462532
Energy: 0.7757081692979114
Energy: 0.7805342100527923
Energy: 0.7619069258494394
Energy: 0.7780691067946396
Energy: 0.7620633093581956
Energy: 0.76200825799691
Energy: 0.777887615995057
Energy: 0.7621336006468342
Energy: 0.7647162816696799
Energy: 0.7834807719373454
Energy: 0.7832158018815062
Energy: 0.7638301536269385
Energy: 0.7792951599429201
Energy: 0.7834231028139954
Energy: 0.8994398203801112
Energy: 0.7777150858143521
Energy: 0.783364516576084
Energy: 0.810766686680134
Energy: 0.7777272862678322
Energy: 0.7837593094384375
Energy: 0.8097966409664267
Energy: 0.776519861686506
Energy: 0.7754490491212268
Energy: 0.80973206818987
Energy: 0.7788741467261473
Energy: 0.8099927589161661

minimum gb energy = 0.6789829995248025 eV
minimum distance =  2.22923309396065 Angstroms
sigma value = 33


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

Energy: 0.9358102359877221
Energy: 0.9666699376289336
Energy: 0.9677979358252183
Energy: 0.8886349773111716
Energy: 0.9468545848408659
Energy: 0.8918030593569226
Energy: 0.8896233320319794
Energy: 0.9112122392087029
Energy: 0.9131531877027229
Energy: 0.8472890377910519
Energy: 0.9132238779242782
Energy: 0.8458611226235792
Energy: 1.0159021650803506
Energy: 0.88307907348302
Energy: 0.8828628516203307
Energy: 0.9854287995717667
Energy: 0.8727831505101787
Energy: 0.900664228197799
Energy: 0.9303500649007888
Energy: 0.8822659551116829
Energy: 0.8827046681179668
Energy: 0.9360203329087692
Energy: 0.8360472204690932
Energy: 0.8834545990687152
Energy: 0.8455840096244744
Energy: 0.910918198409075
Energy: 0.9098046199226806
Energy: 0.8456252561702672
Energy: 0.9117906492882311
Energy: 0.8962845852540773
Energy: 0.8766745616599366
Energy: 0.8971876858119262
Energy: 0.893924913602171
Energy: 0.8634074982656916
Energy: 0.8954142742681367
Energy: 0.8628086046173138
Energy: 0.8451921158232351
Energy: 0.8364596748055471
Energy: 0.8328763892990468
Energy: 0.8452995486980202
Energy: 0.8351912980903777
Energy: 0.8313938393306747
Energy: 0.8665661875195678
Energy: 0.8192681517812423
Energy: 0.8325440072816768
Energy: 0.8643959011850036
Energy: 0.7790316820580485
Energy: 0.8465812933857514
Energy: 0.8562615000295886
Energy: 0.7777398929128618
Energy: 0.8713512340078077
Energy: 0.8592023510265041
Energy: 0.7785445698625616
Energy: 0.8719573151233649
Energy: 0.8606124016947415
Energy: 0.7798133407764194
Energy: 0.7799016919360114
Energy: 0.8623709783366479
Energy: 0.7810153694554408
Energy: 0.7797505126795964
Energy: 0.8599891942151987
Energy: 0.7808935471490438
Energy: 0.8721566113577747
Energy: 0.8698717568273684
Energy: 0.7805291639460843
Energy: 0.8727761983911094
Energy: 0.7802272722639639
Energy: 0.8203164350720922
Energy: 0.8436937131788116
Energy: 0.7803303210901995
Energy: 0.8677026139623208
Energy: 0.7807135165370452
Energy: 0.7775955103326297
Energy: 0.8705931894134185
Energy: 0.8715119121155326
Energy: 0.7777184900691348
Energy: 0.8703315730963629
Energy: 0.7778511967192762
Energy: 0.8561065833670437
Energy: 0.855679644390443
Energy: 0.8701470130706824
Energy: 0.8674043426909708
Energy: 0.8562288791137423
Energy: 0.8683950166395995
Energy: 0.813070547137272
Energy: 0.8472534428814288
Energy: 0.8468378831169232
Energy: 0.8129531373865951
Energy: 0.8494686254460369
Energy: 0.8322213657546391
Energy: 0.831935670922661
Energy: 0.8569217971486229
Energy: 0.8564848505344346
Energy: 0.8320310094992789
Energy: 0.7911107387490055
Energy: 0.8318168043116662
Energy: 0.9943875609154248
Energy: 0.8562198819969292
Energy: 0.8563578934639803
Energy: 0.9945704225546522
Energy: 0.7953648375509934
Energy: 0.875063597732538
Energy: 0.9498698461388463
Energy: 0.847222478766475
Energy: 0.8481571050127372
Energy: 0.8472987271539038
Energy: 0.8474398457319559
Energy: 0.9022330650116562
Energy: 0.8884122583245387
Energy: 0.9294110334556406
Energy: 1.0013906094632723
Energy: 0.8519249837738531
Energy: 0.9291922357014669
Energy: 0.8504929174787101
Energy: 0.8895706692819977
Energy: 0.9109523971354434
Energy: 0.84669638971989
Energy: 0.8899042829924215
Energy: 0.9116586960020749
Energy: 0.9119873652699949
Energy: 0.9840383668418955
Energy: 0.8821560122439848
Energy: 0.8821711101066695
Energy: 0.9295269268100436
Energy: 0.8900906483759699
Energy: 0.9002304910807452
Energy: 0.9297110750034907
Energy: 0.8832995320436502
Energy: 0.8831891065665239
Energy: 0.9297856539515621
Energy: 0.8727555009863527
Energy: 0.8832568958122218
Energy: 0.8452745474119339
Energy: 0.8468475658711409
Energy: 0.9117394958032029
Energy: 0.8453909506905
Energy: 0.9126632099366934
Energy: 0.9006038823606918
Energy: 0.8777797864528414
Energy: 0.894285097154443
Energy: 0.8941820144613475
Energy: 0.8634421596966567
Energy: 0.9597112808261957
Energy: 0.8628723283663442
Energy: 0.845106975619301
Energy: 0.8368142151353494
Energy: 0.8347736084187686
Energy: 0.8452106249578638
Energy: 0.8963996157902114
Energy: 0.8318650086611227
Energy: 0.8645974578755861
Energy: 0.8716129034551039
Energy: 0.8317266827563304
Energy: 0.865925667155303
Energy: 0.8424421269819943
Energy: 0.8466468422131088
Energy: 0.8586176297819005
Energy: 0.8335023052893835
Energy: 0.8713958648711952
Energy: 0.8600335430813539
Energy: 0.777744221594756
Energy: 0.8718235415853496
Energy: 0.8587856623289603
Energy: 0.779773551727171
Energy: 0.7798371978342976
Energy: 0.8605276891054596
Energy: 0.7807521991424806
Energy: 0.7797506158852406
Energy: 0.8591579621865134
Energy: 0.7820396499403428
Energy: 0.7967703308469251
Energy: 0.8729989093024868
Energy: 0.7825270342575298
Energy: 0.8724287693959122
Energy: 0.7802467057871845
Energy: 0.8718653164632586
Energy: 0.8432955944935272
Energy: 0.7802747012025738
Energy: 0.8678214915302676
Energy: 0.7806991415538396
Energy: 0.7791848540312993
Energy: 0.8720731567127112
Energy: 0.7780904105459344
Energy: 0.7792240639856904
Energy: 0.8701631163595395
Energy: 0.7776582258877235
Energy: 0.8589046025485629
Energy: 0.8598900476802473
Energy: 0.8723041470216328
Energy: 0.8683194725048443
Energy: 0.8856006243557697
Energy: 0.8691667948775632
Energy: 0.8567216226921097
Energy: 0.8468210296127807
Energy: 0.8466859682353365
Energy: 0.85651416060616
Energy: 0.8459448112680251
Energy: 0.8320865471937637
Energy: 0.8315376764258331
Energy: 0.7913740386273521
Energy: 0.8323203745727618
Energy: 0.8336127740523028
Energy: 0.7910834234944821
Energy: 0.8307771464769693
Energy: 0.9936982128981025
Energy: 0.870863705423626
Energy: 0.8563687493968111
Energy: 0.9942925617595693
Energy: 0.8643815659569986
Energy: 0.8746957943437127
Energy: 0.9549809380295294
Energy: 0.8450169019810132
Energy: 0.8463333827096756
Energy: 0.8475273829729649
Energy: 0.8466442151061151
Energy: 0.8849334064012646
Energy: 0.8898910330889769
Energy: 0.9297681594500208
Energy: 0.9175181183657428
Energy: 0.8519716452327694
Energy: 0.9297390914768343
Energy: 0.8504255567811075

minimum gb energy = 0.7775955103326297 eV
minimum distance =  2.31507607300534 Angstroms
sigma value = 41


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

Energy: 1.2121478869910758
Energy: 1.0712455050015515
Energy: 1.0725865921408555
Energy: 1.0175344795812007
Energy: 0.980108564257093
Energy: 1.0735208146147455
Energy: 0.9711555836265869
Energy: 0.9338721449345817
Energy: 0.9354749526761807
Energy: 1.0123911103540362
Energy: 0.9347734249236563
Energy: 1.0112787362417126
Energy: 1.0787825421873445
Energy: 0.9684533789066244
Energy: 0.9917424642196279
Energy: 1.079434916018416
Energy: 0.8856356187692374
Energy: 0.991436253511095
Energy: 0.9997803387724382
Energy: 0.9658139761662244
Energy: 0.9652863230497883
Energy: 1.0014578765305278
Energy: 0.9200030824041217
Energy: 0.9154650677088472
Energy: 0.9230342674479068
Energy: 0.9345826769496908
Energy: 0.9347051074230313
Energy: 0.9231786278219521
Energy: 1.0077365902325797
Energy: 0.9347646074269595
Energy: 0.9951990699831401
Energy: 1.0193835165963174
Energy: 1.0182982743058704
Energy: 0.9199787988562937
Energy: 1.0181628257576893
Energy: 0.9686796031534253
Energy: 0.9227485510373233
Energy: 1.031766401545349
Energy: 0.8982600576064173
Energy: 0.9226752724270239
Energy: 1.0293912307514448
Energy: 0.9232379456852311
Energy: 0.9161346180992419
Energy: 0.888084462902233
Energy: 0.9150729078860389
Energy: 0.9172252000145174
Energy: 0.9237617550304825
Energy: 0.9146663667152103
Energy: 0.9655635777394221
Energy: 0.9537106889860347
Energy: 0.9413777916769347
Energy: 0.9668719938294159
Energy: 0.9155090148773922
Energy: 0.8871867537562823
Energy: 0.9363464104075605
Energy: 0.9141134834671031
Energy: 0.9142380936910256
Energy: 0.9345781456757735
Energy: 0.9161284416141001
Energy: 0.9146570350686344
Energy: 1.0085214350089569
Energy: 0.923857971947195
Energy: 0.9002920584214026
Energy: 1.010421030852599
Energy: 0.869852804607749
Energy: 0.8872362898143734
Energy: 1.0880875985676588
Energy: 0.8695385704202934
Energy: 0.9270532993784111
Energy: 1.0769993907571913
Energy: 0.870165645504436
Energy: 0.9530701297475058
Energy: 1.071937093986217
Energy: 0.9233851630780022
Energy: 0.9350895627826454
Energy: 0.9353207176655367
Energy: 1.011453709319368
Energy: 0.923550787120346
Energy: 1.0292326126131721
Energy: 0.9324145151827687
Energy: 0.8702388838821109
Energy: 0.8692091046730412
Energy: 0.9987165922079266
Energy: 0.8697156144699169

minimum gb energy = 0.8692091046730412 eV
minimum distance =  2.28694716806198 Angstroms
sigma value = 11


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

Energy: 1.4782755535179783
Energy: 1.0210661656754347
Energy: 1.1069414098558572
Energy: 1.1806575138885005
Energy: 1.1078077182507542
Energy: 1.1838965921479945
Energy: 1.1557791209322243
Energy: 1.012794865467153
Energy: 1.0076095991235527
Energy: 1.064854060660355
Energy: 1.0123914312745463
Energy: 1.0077404690719152
Energy: 1.1706297750337151
Energy: 1.0231196685923574
Energy: 1.0232769771201509
Energy: 1.1706445742180305
Energy: 1.0129909942355886
Energy: 1.0247326525865998
Energy: 1.101826968775604
Energy: 1.01108987018892
Energy: 1.0253669842294557
Energy: 1.0372228653780642
Energy: 1.0009697922913015
Energy: 1.0252248762390004
Energy: 1.0622800456177681
Energy: 1.0105171716924726
Energy: 1.0109601601149723
Energy: 1.0665597707186496
Energy: 1.0103261241945747
Energy: 1.0059893864971008
Energy: 1.0683442285121705
Energy: 1.0190207940647322
Energy: 1.0183673778398676
Energy: 1.0112078692027044
Energy: 1.018590758637541
Energy: 1.0171419837467437
Energy: 1.0185441671441704
Energy: 1.0095817404614362
Energy: 1.0171606810901797
Energy: 1.0182495118255583
Energy: 0.9978900968112228
Energy: 1.018005051512963
Energy: 1.0170749679085531
Energy: 0.9941044515232726
Energy: 1.0077121070482293
Energy: 1.0111959126935302
Energy: 1.0629839456355359
Energy: 1.0051494188499472
Energy: 1.0165033077830716
Energy: 1.0776010430797203
Energy: 1.0240891501489044
Energy: 0.9994363250253092
Energy: 1.1088537371377554
Energy: 0.9965000609988689
Energy: 1.042089464692036
Energy: 1.0311741775647632
Energy: 1.0311640540527431
Energy: 0.999385258703236
Energy: 1.16509420744446
Energy: 0.9964454460919893
Energy: 1.0170075676134442
Energy: 1.0199195099517833
Energy: 1.0071363973596281
Energy: 1.0170434901712653
Energy: 1.0190733089701725
Energy: 1.0075014400169475
Energy: 1.0111309588171062
Energy: 1.1253940750108544
Energy: 1.1115832821451612
Energy: 1.011813784638101
Energy: 1.1038552437554008
Energy: 1.111676938414556
Energy: 1.0062288988246522
Energy: 1.062122187200243
Energy: 1.0620432237186281
Energy: 1.0061994995554346
Energy: 1.0717534355783074
Energy: 1.0147094825984273
Energy: 1.0349521841258258
Energy: 1.144412894575516
Energy: 1.1469786558965154
Energy: 1.043846240717563
Energy: 1.1443844885066747
Energy: 1.0702046853478662
Energy: 0.9929521424864534
Energy: 1.025021851963334
Energy: 0.9940845384847489
Energy: 0.9934206141991223
Energy: 1.0546379575079123
Energy: 0.993357324683367
Energy: 0.9936515809758785
Energy: 0.9947813237960446
Energy: 0.9940273839241375
Energy: 0.9934358540634137
Energy: 1.0004233296658913
Energy: 0.9938405132307824
Energy: 0.9941193633322597
Energy: 0.9956603675321104
Energy: 1.008914067339943
Energy: 0.9941966991712655
Energy: 1.000178491450687
Energy: 1.0026894314837271
Energy: 1.0559659753426212
Energy: 1.0745304177393395
Energy: 1.074383591428892
Energy: 1.021362183148023
Energy: 1.0757233663679182
Energy: 1.0216651956095357
Energy: 1.0231651505097727
Energy: 1.0274266313260543
Energy: 1.0274625568687843
Energy: 1.0234836642679377
Energy: 1.0277460411970796
Energy: 1.0506662892028062
Energy: 1.0531193253324245
Energy: 0.9938460756404461
Energy: 1.1066407829544038
Energy: 1.0545062649264365
Energy: 0.9934657035323754
Energy: 1.0406783687490844
Energy: 1.0784159880166486
Energy: 0.9941904671619985
Energy: 1.0294373987329417
Energy: 1.0710324690271988
Energy: 0.9946459762264641
Energy: 1.0290909459581037
Energy: 1.0288630213865355
Energy: 1.0338569303705785
Energy: 1.0311384509589465
Energy: 1.0022269444292826
Energy: 1.0555253487644523
Energy: 1.0256816192002927
Energy: 1.0342789658796334
Energy: 1.053232575475512
Energy: 1.1052797852520537
Energy: 1.023594754848606
Energy: 1.0543197138612859
Energy: 1.0334967799512553
Energy: 1.0781928646008863
Energy: 1.0239628536387835
Energy: 1.050421819212043
Energy: 1.0272614295578228
Energy: 1.0236294522489062
Energy: 1.026921180100657
Energy: 1.0772520153247536
Energy: 1.0293023521987212
Energy: 1.0538031350149601
Energy: 1.0769120901295848
Energy: 1.0086882660888237
Energy: 1.0615727082545476
Energy: 1.0792497220686772
Energy: 0.9948427760620632
Energy: 1.0003654696112882
Energy: 1.0567120696689818
Energy: 0.9945506656809476
Energy: 0.9996629557485391
Energy: 1.0724532025398072
Energy: 0.9932941412977103
Energy: 0.9936633607285819
Energy: 1.0241757269210754
Energy: 0.9940894534307632
Energy: 0.9937143622489114
Energy: 1.0661308318218725
Energy: 1.0013354445687248
Energy: 1.0120171516800232
Energy: 1.0305866220063413
Energy: 0.9933372140674789
Energy: 0.9935493496676531
Energy: 1.1701243983100564
Energy: 1.0321844818166268
Energy: 1.0412174126929474
Energy: 1.171347321400737
Energy: 1.0180148572593863
Energy: 1.0823387312979886
Energy: 1.2237235252965255
Energy: 1.0061377697755889
Energy: 0.9935129125424506
Energy: 1.04631297226521
Energy: 1.0061889964603308
Energy: 1.0537481635850354
Energy: 1.0506856562019005
Energy: 1.0109067216813399
Energy: 1.0408524658515284
Energy: 1.008765991409647
Energy: 1.011810837197554
Energy: 1.0528910326328864

minimum gb energy = 0.9929521424864534 eV
minimum distance =  2.25494112126881 Angstroms
sigma value = 57


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

Energy: 1.3417043318611752
Energy: 1.1139590000746977
Energy: 1.1138041872731443
Energy: 1.1164572887671147
Energy: 1.4181136803015033
Energy: 1.1140125074277138
Energy: 1.0952729755132897
Energy: 1.0480727026460188
Energy: 1.0476636714350749
Energy: 1.0523466265573547
Energy: 1.0476327627244628
Energy: 1.0473241046937056
Energy: 1.0923178636076267
Energy: 1.0714008140711329
Energy: 1.0718065544220905
Energy: 1.0937989664412504
Energy: 1.0774318790410689
Energy: 1.085056161772444
Energy: 1.0920175439107829
Energy: 1.0477906269929522
Energy: 1.0481531863085183
Energy: 1.0488578664712127
Energy: 1.0371674430329403
Energy: 1.0483659781110741
Energy: 1.04226559936575
Energy: 1.0490363540365213
Energy: 1.0481001782629538
Energy: 1.0473493977548145
Energy: 1.0916748558964329
Energy: 1.048103366530309
Energy: 1.08910991786417
Energy: 1.0924017738404068
Energy: 1.0919536161999281
Energy: 1.0849477398095682
Energy: 1.0944723012289086
Energy: 1.085853445983834
Energy: 1.0837566760792678
Energy: 1.0138661303357606
Energy: 1.013692388924466
Energy: 1.0845795070165867
Energy: 1.0143775570103595
Energy: 1.0927615975555334
Energy: 1.0892174802346493
Energy: 1.047115678571896
Energy: 1.0488510533517812
Energy: 1.048323692369548
Energy: 1.0528110596329312
Energy: 1.048795748532099
Energy: 1.019785574793302
Energy: 1.0824209441619825
Energy: 1.1103917338232947
Energy: 1.0318122871804254
Energy: 1.0836468582685874
Energy: 1.0827399630748065
Energy: 1.0199186143636356
Energy: 1.0826009376484176
Energy: 1.1103472897406674
Energy: 1.031952149014189
Energy: 1.0902813136854916
Energy: 1.0874891042619328
Energy: 1.0910628265915523
Energy: 1.0471241307184775
Energy: 1.049072682976549
Energy: 1.048316879182679
Energy: 1.0538545004191193
Energy: 1.0492076035049154
Energy: 1.0827055205555853
Energy: 1.0772300015042384
Energy: 1.0759455106679774
Energy: 1.0831851682557663
Energy: 1.0781991882639914
Energy: 1.0847025258301886
Energy: 1.0386505665222439
Energy: 1.0484133920726622
Energy: 1.0480574188345246
Energy: 1.0486644599952712
Energy: 1.0478957954095112
Energy: 1.0470642858189485
Energy: 1.089082311136526
Energy: 1.094013120487623
Energy: 1.0868338899543795
Energy: 1.0854146824059638
Energy: 1.0887945707628408
Energy: 1.0854168517515492
Energy: 1.0851187294810363
Energy: 1.0314596393533357
Energy: 1.0477778786079301
Energy: 1.0924371771448256
Energy: 1.0318768914922491
Energy: 1.0473464900019391
Energy: 1.0899877607147819
Energy: 1.0318422943639214
Energy: 1.0354192955315817
Energy: 1.0914677729488618
Energy: 1.015132083359549
Energy: 1.0846175782946508
Energy: 1.0194572356892744
Energy: 1.048235169572059
Energy: 1.0478408965211963
Energy: 1.0199565765685552
Energy: 1.046469984882073
Energy: 1.0484241934615488

minimum gb energy = 1.013692388924466 eV
minimum distance =  2.25164227556132 Angstroms
sigma value = 9


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

Energy: 1.5767830576697928
Energy: 1.0630276154541711
Energy: 1.3857781843600399
Energy: 1.3844486681276074
Energy: 1.0930980423011933
Energy: 1.3873160978683559
Energy: 1.1332458235308005
Energy: 1.0978879497604155
Energy: 1.094151641402619
Energy: 1.104766730616765
Energy: 1.1095015091035114
Energy: 1.0942764043027011
Energy: 1.151058951564692
Energy: 1.1342481138363931
Energy: 1.0806427836410313
Energy: 1.152031526644598
Energy: 1.1318782324646386
Energy: 1.1268406800499366
Energy: 1.083443092134189
Energy: 1.1036105231007471
Energy: 1.103549938688894
Energy: 1.0842512406297184
Energy: 1.0835417857836414
Energy: 1.1018743674420666
Energy: 1.090413064952447
Energy: 1.0398312072042395
Energy: 1.0601965110754705
Energy: 1.0960852730976367
Energy: 1.1064156362784994
Energy: 1.0894513718055616
Energy: 1.0752424134752216
Energy: 1.0889303957699323
Energy: 1.0891303645023453
Energy: 1.0782306459047528
Energy: 1.0836010996294987
Energy: 1.0874719447306824
Energy: 1.0635691403380438
Energy: 1.1657869703960404
Energy: 1.0712528135910584
Energy: 1.0645010502965389
Energy: 1.166943794836925
Energy: 1.0703278035609292
Energy: 1.1254359233535434
Energy: 1.080675102796058
Energy: 1.090980292821986
Energy: 1.10850807443758
Energy: 1.0793951899767436
Energy: 1.0916508470662356
Energy: 1.204185495125599
Energy: 1.08794592963445
Energy: 1.0401916895410255
Energy: 1.138574238268143
Energy: 1.1105096224040254
Energy: 1.1385785282243064
Energy: 1.1969000797231246
Energy: 1.075690275138371
Energy: 1.0921516459008511
Energy: 1.1383910001969355
Energy: 1.0806454670691248
Energy: 1.0396635676588257
Energy: 1.1229867077043236
Energy: 1.098966969152042
Energy: 1.0941092201419158
Energy: 1.0945726293256572
Energy: 1.08197817972302
Energy: 1.0912836943265216
Energy: 1.110112032226698
Energy: 1.0942836957947513
Energy: 1.0913300285539134
Energy: 1.111300743806237
Energy: 1.0921702129150594
Energy: 1.094994709863326
Energy: 1.213448496303176
Energy: 1.117033787743792
Energy: 1.1248504603568004
Energy: 1.1648037979302905
Energy: 1.1164133256175508
Energy: 1.1698402680534463
Energy: 1.1946105255278898
Energy: 1.1348573740764816
Energy: 1.0922171759695902
Energy: 1.1652447358388307
Energy: 1.1375443010152115
Energy: 1.101168678788562
Energy: 1.1119102706342936
Energy: 1.095872038833929
Energy: 1.0918683520171992
Energy: 1.1120178962972809
Energy: 1.0759038695184944
Energy: 1.0605339690998596
Energy: 1.097105882769065
Energy: 1.138036043890923
Energy: 1.0400140785458198
Energy: 1.0980741018946336
Energy: 1.138711198763111
Energy: 1.039873246316904
Energy: 1.1015750930804777
Energy: 1.0984708943236847
Energy: 1.1059769967986823
Energy: 1.0995296869605196
Energy: 1.1330628883482847
Energy: 1.1010153893908996
Energy: 1.1649941708908655
Energy: 1.123296353191216
Energy: 1.137505816298057
Energy: 1.1385239083994072
Energy: 1.1406768319738951
Energy: 1.1365490259279216
Energy: 1.1397585910369679
Energy: 1.1018733003204593
Energy: 1.1001334305422348
Energy: 1.1402289000790098
Energy: 1.1100872744418127
Energy: 1.0951793537310088
Energy: 1.1496945235254163
Energy: 1.10370145399625
Energy: 1.1004025704800866
Energy: 1.1118059030105356
Energy: 1.0917793639521154
Energy: 1.1413983960017295
Energy: 1.099710662886505
Energy: 1.0987387221634564
Energy: 1.080663862458544
Energy: 1.0782529694742342
Energy: 1.0993692123113963
Energy: 1.093704215071685

minimum gb energy = 1.0396635676588257 eV
minimum distance =  2.14535913492465 Angstroms
sigma value = 27


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

Energy: 1.112752581385451
Energy: 1.1030478297573745
Energy: 1.1116139735986363
Energy: 1.108929629552063
Energy: 1.4724686858648215
Energy: 1.1109112136357502
Energy: 1.0729587951274988
Energy: 1.1310497476395978
Energy: 1.0645593787140881
Energy: 1.1518447472871414
Energy: 1.1305824170884324
Energy: 1.0541343084949888
Energy: 1.1298682103555078
Energy: 1.0642121162849054
Energy: 1.0847218738845947
Energy: 1.0711363536956449
Energy: 1.026573595219386
Energy: 1.0960947425097307
Energy: 1.0847914927923485
Energy: 1.0640544582979263
Energy: 1.0621122752718737
Energy: 1.085572153312853
Energy: 1.063672984863121
Energy: 1.0581207848072847
Energy: 1.0216093810967235
Energy: 1.0590507391561284
Energy: 1.0528511404675587
Energy: 1.024248156481975
Energy: 1.0621189380020477
Energy: 1.0496164925798457
Energy: 1.067725988071865
Energy: 1.0802301305094544
Energy: 1.0665583769654299
Energy: 1.0761632970482464
Energy: 1.0774916024875412
Energy: 1.0631237672739149
Energy: 1.0889791045097563
Energy: 0.9900537018916715
Energy: 0.9901812837425059
Energy: 1.066013908009618
Energy: 0.9871654605706796
Energy: 0.9908110248510281
Energy: 1.0958234243950202
Energy: 1.0303100338712703
Energy: 1.0532330306350064
Energy: 1.086713545269199
Energy: 1.0263205974960241
Energy: 1.0916770639951596
Energy: 1.260260540082253
Energy: 1.0708128197716074
Energy: 1.0699646678228245
Energy: 1.0480682726217656
Energy: 1.073188130644756
Energy: 1.053350701822271
Energy: 1.2793965067356068
Energy: 1.0687422882175852
Energy: 1.0692021800726526
Energy: 1.0628540107857172
Energy: 1.0671025028368122
Energy: 1.0567258592303759
Energy: 1.08749610801142
Energy: 1.0849780531988562
Energy: 1.061718528793786
Energy: 1.0807127913232897
Energy: 1.028606577926015
Energy: 1.0552185663537024
Energy: 1.0909340462198152
Energy: 1.071547292970026
Energy: 1.0727320243854725
Energy: 1.0884065256725903
Energy: 1.056796092794312
Energy: 1.075216111070093
Energy: 0.9742258905273145
Energy: 1.089086569618042
Energy: 0.9894426419648324
Energy: 0.9879488777282438
Energy: 1.0881374828660262
Energy: 0.9890112282467963
Energy: 1.0140569879504864
Energy: 1.1020778753681106
Energy: 1.105993026936033
Energy: 0.9866778919007035
Energy: 1.0833435459845038
Energy: 0.9899618832139733
Energy: 1.0918801950530295
Energy: 1.0596388168631408
Energy: 1.0619596169998025
Energy: 1.0953610116146246
Energy: 1.0571926180437599
Energy: 1.0937762792082117
Energy: 1.1144653703695024
Energy: 1.0664630949162686
Energy: 1.0677066588504445
Energy: 1.0737158594897975
Energy: 1.0661138552425282
Energy: 1.0719695239101164
Energy: 1.037408341545648
Energy: 1.0817130734764626
Energy: 1.0888063329540105
Energy: 1.0510310761779698
Energy: 1.0856402270904004
Energy: 1.089858389860728
Energy: 1.0896596833661012
Energy: 1.074658241561512
Energy: 1.0537429375120682
Energy: 1.0520478942530045
Energy: 1.0723033151696686
Energy: 1.0527306300578116
Energy: 1.0821510471014313
Energy: 0.9871971767299629
Energy: 0.9883775908437793
Energy: 1.0832531382307795
Energy: 0.9872437251628494
Energy: 0.9896292091055763
Energy: 1.0923649271753382
Energy: 0.9872258525753974
Energy: 0.9886387817374588
Energy: 1.066545803278681
Energy: 0.9871669148567895
Energy: 0.9896437760022873
Energy: 1.1056395051357837
Energy: 1.0748107744141129
Energy: 1.0707950864377154
Energy: 1.0519729700837301
Energy: 1.072444925052422
Energy: 1.0523420317399323
Energy: 1.022370881430698
Energy: 1.0920689492250384
Energy: 1.0912981278947902
Energy: 1.0350292452639047
Energy: 1.1163200306818764
Energy: 1.0927978505769804
Energy: 1.1026229602205289
Energy: 1.0794390627272172
Energy: 1.0643527848958536
Energy: 1.0895581578550315
Energy: 1.079231494115869
Energy: 1.0637255687221019
Energy: 1.0990237584939675
Energy: 1.0632421212211436
Energy: 1.0622723442512707
Energy: 1.0962477663872527
Energy: 1.0631727331409364
Energy: 1.0623687550530925
Energy: 1.0953742231446109
Energy: 1.1294019079607174
Energy: 1.1233756576720626
Energy: 1.0282315167093998
Energy: 1.1546073879368257
Energy: 1.0318877556865589

minimum gb energy = 0.9742258905273145 eV
minimum distance =  2.16181502191603 Angstroms
sigma value = 19


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

Energy: 1.5172167225187017
Energy: 1.1406823220323814
Energy: 1.085561261437613
Energy: 0.9868360177167185
Energy: 1.0727788690710691
Energy: 1.564346091916986
Energy: 1.0920208743219908
Energy: 1.0707309013190334
Energy: 1.0456472812066027
Energy: 1.0807594745952258
Energy: 1.0730844182740404
Energy: 1.016939310057456
Energy: 1.0842178427019207
Energy: 1.0152928859576298
Energy: 1.016480052109982
Energy: 1.017749779382867
Energy: 1.0137020593769033
Energy: 1.0169371358938715
Energy: 1.0744651585183278
Energy: 1.017421146136546
Energy: 1.0167568954200796
Energy: 1.071653126400961
Energy: 1.017308225284884
Energy: 1.0172810339351663
Energy: 1.023484646786356
Energy: 1.0153483527271199
Energy: 1.0152057374593593
Energy: 1.0215988072420052
Energy: 1.0651833999659062
Energy: 1.0152017056504703
Energy: 1.1037981687718017
Energy: 1.045897739755762
Energy: 1.0162197111884557
Energy: 1.0813699773173064
Energy: 1.0705295669029997
Energy: 1.0171464228953768
Energy: 1.1241681404922774
Energy: 1.0497748538015292
Energy: 1.04979613408178
Energy: 1.124482208260239
Energy: 1.0696347135133129
Energy: 0.9871840195560769
Energy: 1.1179283411183791
Energy: 1.0231690636073334
Energy: 1.016695220803828
Energy: 1.1246901628709494
Energy: 1.0222428979149865
Energy: 1.0154467948795687
Energy: 1.0109929997792035
Energy: 1.0187492235854365
Energy: 1.018412549205786
Energy: 1.0132746277266544
Energy: 1.0171553557918454
Energy: 1.01689819339472
Energy: 1.0112211381148746
Energy: 1.0581716054136971
Energy: 1.062983068842531
Energy: 1.014250134681486
Energy: 1.0564829546236025
Energy: 1.0496890770677967
Energy: 1.0695021578494628
Energy: 1.0004740759923847
Energy: 1.0023183623979866
Energy: 1.0663270229493926
Energy: 0.9974144303120457
Energy: 0.996749033083917
Energy: 1.0964760357613534
Energy: 1.0016779224065346
Energy: 1.000893950839742
Energy: 1.067138746345108
Energy: 1.0082742836388043
Energy: 0.9993728997358878
Energy: 1.0778884683019554
Energy: 1.066191689754053
Energy: 0.9945634479166722
Energy: 0.9861560369772339
Energy: 1.066905611623967
Energy: 0.9937712978522121
Energy: 1.112785285956263
Energy: 1.0654633626278502
Energy: 1.0658911738140324
Energy: 0.9904785213498752
Energy: 1.0656875279022595
Energy: 1.0180600864251588
Energy: 1.0940979081023696
Energy: 0.9986040702519151
Energy: 0.9998581351081226
Energy: 0.998605306702585
Energy: 0.9975011554878577
Energy: 1.0014083867288173
Energy: 1.10391235911554
Energy: 0.9993809685274521
Energy: 1.001539714510397
Energy: 1.0587594816580965
Energy: 1.0132548956737526
Energy: 1.0030267635704886
Energy: 1.0449775649077846
Energy: 1.0559900969641214
Energy: 0.9942107551401334
Energy: 0.9915146148116268
Energy: 1.0597002188286504
Energy: 0.9930279545200357
Energy: 1.1390053937022622
Energy: 1.0573500041814725
Energy: 1.0011515160820958
Energy: 0.9891049084635113
Energy: 1.0579680338753
Energy: 1.0018899729782416
Energy: 1.0989490572263745
Energy: 0.9923410016165937
Energy: 0.9937868778483436
Energy: 1.061985631438092
Energy: 0.9904434012034767
Energy: 1.0008576162852474
Energy: 1.0624182246839642
Energy: 0.9923924150675256
Energy: 0.9937445035602971
Energy: 1.0600081668175783
Energy: 0.990440497887855
Energy: 1.0006164827350954
Energy: 1.001229614215942
Energy: 1.001709376872682
Energy: 1.0020115774951373
Energy: 1.006194452857772
Energy: 1.0575828931547866
Energy: 1.0004973272318245
Energy: 1.0254293272047896
Energy: 1.0006587160874298
Energy: 1.0017140073450002
Energy: 1.01303563974773
Energy: 1.0643159338514252
Energy: 1.001368208396278
Energy: 1.0735410813988624
Energy: 0.9872091555030265
Energy: 0.9882053812476909
Energy: 1.066247649021909
Energy: 0.9855390183845392
Energy: 1.0013387957842281
Energy: 1.079643338961821
Energy: 0.9871098374237878
Energy: 1.0005622300022938
Energy: 1.0800925504934125
Energy: 0.9850536246785163
Energy: 1.0026302364586754
Energy: 1.1187800910383656
Energy: 1.0628857053508265
Energy: 1.0014423453107595
Energy: 0.9965038072364147
Energy: 1.0013235234865256
Energy: 1.0021414216955173
Energy: 1.0328057255724148
Energy: 1.0641213954706006
Energy: 1.00239593201183
Energy: 1.0057748306503946
Energy: 1.0665054748779377
Energy: 1.0018812336930312
Energy: 1.0803217077789038
Energy: 1.0158862468226009
Energy: 1.0168014074780036
Energy: 1.0662401339242704
Energy: 1.0142944240362612
Energy: 1.018099062410628
Energy: 1.0798172238150305
Energy: 1.016074902442267
Energy: 1.0165834511902752
Energy: 1.0147554462988968
Energy: 1.0134023901157776
Energy: 1.0161130488349361
Energy: 1.1091804088250334
Energy: 1.072109673170338
Energy: 1.070730275463506
Energy: 0.9815228213724607
Energy: 1.0718971957351595
Energy: 0.9939589651040498

minimum gb energy = 0.9815228213724607 eV
minimum distance =  2.17002632906651 Angstroms
sigma value = 101


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

Energy: 1.4021875071990686
Energy: 1.1206014718645754
Energy: 1.1196453780293867
Energy: 1.3289939388877365
Energy: 1.0460830251323865
Energy: 1.3259642093820962
Energy: 1.1070626901724758
Energy: 1.0344750726081826
Energy: 1.0338776449681162
Energy: 1.0081579847329052
Energy: 1.0414126366650345
Energy: 0.9925332988503575
Energy: 1.088197874885166
Energy: 0.9695111574078068
Energy: 0.9691955413052794
Energy: 0.9690770195036615
Energy: 0.9667803641137677
Energy: 0.9690812587082218
Energy: 1.0539559386286044
Energy: 0.9923726053230898
Energy: 0.9927645630645248
Energy: 1.0329162801744884
Energy: 0.9914825398934269
Energy: 0.998048181735238
Energy: 0.9741664448049702
Energy: 0.9684458810017285
Energy: 0.9685369979575448
Energy: 0.9760508943568877
Energy: 0.9687033129646299
Energy: 0.9761857116682494
Energy: 1.0585090694227983
Energy: 0.9942908988914197
Energy: 1.0394827256671786
Energy: 1.061804781206341
Energy: 1.0327033460410666
Energy: 1.0393471172983781
Energy: 1.0545020204965432
Energy: 0.9629101616560318
Energy: 0.9609457200657344
Energy: 1.0342287901675002
Energy: 0.9595824031624712
Energy: 0.9589069294606873
Energy: 1.0455521858195815
Energy: 0.9925653043492887
Energy: 0.9923899370258555
Energy: 1.0341791771962787
Energy: 1.0288558424019754
Energy: 0.9923596722590762
Energy: 0.9613245320367951
Energy: 0.9715240597263792
Energy: 0.9711267295105904
Energy: 0.9662996930690899
Energy: 0.9702613834648216
Energy: 0.9697764671800202
Energy: 0.9612991340818053
Energy: 1.0401901746341011
Energy: 1.0375966788517639
Energy: 0.9666049504651025
Energy: 1.0379463568113236
Energy: 1.0330998583686326
Energy: 1.0459473710973182
Energy: 0.9501330136387101
Energy: 0.9515013337005667
Energy: 1.0325770218851866
Energy: 0.9476461222398932
Energy: 0.9461143330957613
Energy: 1.0781017808720492
Energy: 0.9701187657525294
Energy: 0.9698541785162001
Energy: 1.0799701890583129
Energy: 0.9705150938234552
Energy: 1.0364320008149024
Energy: 1.0067288257387834
Energy: 0.9683355727663395
Energy: 0.9694163506218635
Energy: 0.9579582333304753
Energy: 1.0229619977395943
Energy: 0.9707927706314379
Energy: 1.0057748910565474
Energy: 1.0388351286283932
Energy: 1.0369352977111215
Energy: 0.9585945418586075
Energy: 1.0414304300586856
Energy: 0.9691938180011039
Energy: 1.0868926123811522
Energy: 0.9700415368560646
Energy: 0.9693658774089975
Energy: 1.0086306078672809
Energy: 0.9675895380846028
Energy: 0.9696176850829146
Energy: 1.087947560951587
Energy: 0.9910373951519433
Energy: 0.9918121117572986
Energy: 1.03419471319009
Energy: 0.993917791869622
Energy: 0.9941688107548051
Energy: 1.0343530213061107
Energy: 1.070373573059234
Energy: 1.0263660762563094
Energy: 0.939145540654725
Energy: 1.070105762438155
Energy: 0.9377288555119725
Energy: 1.13980911550461
Energy: 0.9985895554092447
Energy: 0.9924338970979191
Energy: 0.9760973572567706
Energy: 1.041530754414435
Energy: 1.0266967669691038
Energy: 1.0888117134856974
Energy: 0.968949960430784
Energy: 0.9699582449779993
Energy: 0.9696541283161539
Energy: 0.9680216476250934
Energy: 0.9712065760229439
Energy: 1.0532725392321785
Energy: 0.9923832831257712
Energy: 0.9930829857636466
Energy: 1.0335522886238635
Energy: 0.9677805256200055
Energy: 0.9926017666346578
Energy: 0.9740602377461176
Energy: 0.9994728151894117
Energy: 0.9695960142582049
Energy: 0.9757045100301758
Energy: 1.0340272399077217
Energy: 0.9775350837074671
Energy: 1.0108392991333133
Energy: 1.033144361964233
Energy: 0.9981259459310401
Energy: 0.9751591041903815
Energy: 1.0336422241903436
Energy: 0.9926557224429771
Energy: 1.054661387838867
Energy: 0.9624388845579835
Energy: 0.9602584686828546
Energy: 1.0430319354862065
Energy: 0.9590899361656727
Energy: 0.9587759259141834
Energy: 1.0653193376762469
Energy: 0.9593085644723021
Energy: 0.959396634218331
Energy: 1.0341719771630555
Energy: 0.9580030544487991
Energy: 0.9941590673747098
Energy: 0.969934018385804
Energy: 0.9937850682058631
Energy: 0.9933631292325316
Energy: 0.9752352140906702
Energy: 0.9926113597437941
Energy: 0.9703084391879696
Energy: 0.9609170179400813
Energy: 1.0383379228101268
Energy: 1.0338121653917327
Energy: 0.9659943091494891
Energy: 1.0408839147130646
Energy: 0.9704817875025391
Energy: 1.0646707806886495
Energy: 0.9477262849021351
Energy: 0.9472542550936363
Energy: 1.041219644180942
Energy: 0.947596716943504
Energy: 0.9484245160125425
Energy: 1.0799647492111693
Energy: 0.9464312886521602
Energy: 0.94877278267478
Energy: 1.0468552470231423
Energy: 0.9436556522515311
Energy: 0.9692768146178665
Energy: 1.0056354542165624
Energy: 0.9682022177204855
Energy: 0.9679781167227597
Energy: 0.957105256096662
Energy: 1.0227463626925728
Energy: 0.9713766967942725
Energy: 1.0060935990432758
Energy: 1.0384454882922918
Energy: 0.9677284833365857
Energy: 0.9572484381964979
Energy: 1.039357832622105
Energy: 0.9717665398981233
Energy: 1.0857595996535676
Energy: 0.9679605315369784
Energy: 0.9696241159856036
Energy: 1.042308432749588
Energy: 0.9668787070729281
Energy: 0.9715798615806327
Energy: 1.0884635115028907
Energy: 0.991111666935457
Energy: 0.9921752499792668
Energy: 1.03448266999485
Energy: 0.9671783628101046
Energy: 0.9935032397803005
Energy: 1.0375954111993921
Energy: 0.99740713969663
Energy: 1.0289532363741138
Energy: 0.9384584460174338
Energy: 1.034007614392291
Energy: 0.9778925034213969

minimum gb energy = 0.9377288555119725 eV
minimum distance =  2.1588424236319 Angstroms
sigma value = 33


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

Energy: 0.015350964663608475
Energy: 0.016217414299070233
Energy: 0.016143707852042916
Energy: 0.01693525472411643
Energy: 0.8306212279554818
Energy: 0.016079322322278777
Energy: 0.015947628823440214
Energy: 0.11631308811741654
Energy: 0.11490621917349543
Energy: 0.11467960974291602
Energy: 0.11477546641269307
Energy: 0.11490629219209353
Energy: 1.1282378497868855
Energy: 0.8322472889302917
Energy: 0.8320479605330243
Energy: 0.8280211672935424
Energy: 0.8274799692433402
Energy: 0.8298495931770181
Energy: 0.414039666664325
Energy: 0.11631308811786005
Energy: 0.1149062191743578
Energy: 0.11467960974291602
Energy: 0.11477546641227421
Energy: 0.11490629219295591

minimum gb energy = 0.015350964663608475 eV
minimum distance =  2.52669631736847 Angstroms
sigma value = 1