Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_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=3.6149601638317113
cohesive_energy=3.540273359423524
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=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71519271987346e-19, 3.1480047157822197e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.76381587293756e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61301755425658e-19, 5.639036902792739e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671689262593659e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40835841880722e-19, 2.84831757639252e-19, 2.15207569832148e-19, 1.2810571777772818e-19, 1.84601189592846e-20, -1.210229755318044e-19, -3.02069576044458e-19, -5.43416657660316e-19, -8.71540830126882e-19, -1.3221818476187938e-18, -1.9495926153165598e-18, -2.8463148556000197e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013653608026280302
Energy: 0.31673277402999583
Energy: 0.014140760572181464
Energy: 0.013928526076555517
Energy: 0.3164437196345417
Energy: 0.014058576479987053
Energy: 0.316732774028149
Energy: 0.09666964402784846
Energy: 0.09641082901983401
Energy: 0.09653480932363816
Energy: 0.09666965754493846
Energy: 0.09696253685460193
Energy: 0.014140760572495078
Energy: 0.09641082901955526
Energy: 0.09678242851927912
Energy: 0.014171825336119258
Energy: 0.09659064532927603
Energy: 0.09702257960530608
Energy: 0.01392852607470867
Energy: 0.09653480932611223
Energy: 0.014171825334864796
Energy: 0.013988176460433436
Energy: 0.0965403761165228
Energy: 0.014098704071250766
Energy: 0.31644371963670215
Energy: 0.0966696575424644
Energy: 0.09659064532742917
Energy: 0.0965403761165228
Energy: 0.09661654947113354
Energy: 0.0967427971936111
Energy: 0.014058576478767437
Energy: 0.09696253685369594
Energy: 0.09702257960436524
Energy: 0.014098704071564381
Energy: 0.09674279719392471
Energy: 0.014115796664592775

minimum gb energy = 0.013653608026280302 eV
minimum distance =  2.55260923706343 Angstroms
sigma value = 1


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

Energy: 1.0572393046634903
Energy: 0.6170395787391226
Energy: 0.6285271686276115
Energy: 0.6191472723801836
Energy: 0.616226611062413
Energy: 0.6266712967739364
Energy: 0.9260595071698426
Energy: 0.5919493515112318
Energy: 0.5921361551072908
Energy: 0.6140206486269969
Energy: 0.5920154745084151
Energy: 0.6031033335860031
Energy: 0.9404660052793552
Energy: 0.6057810788091762
Energy: 0.6060767737474071
Energy: 0.6066792220669713
Energy: 0.5978329446889509
Energy: 0.6086571335279329
Energy: 0.999154501563186
Energy: 0.6063347663522471
Energy: 0.6061463997945016
Energy: 0.5964710016181198
Energy: 0.607134536840528
Energy: 0.5960761299860745
Energy: 0.9261628984092977
Energy: 0.6011247962077951
Energy: 0.6030215345519203
Energy: 0.6175970385767905
Energy: 0.5901764691330431
Energy: 0.6033771364372182
Energy: 0.9191011672812145
Energy: 0.6115387831224534
Energy: 0.6073453771172511
Energy: 0.6064780247421281
Energy: 0.6002861774662225
Energy: 0.6065724382533281
Energy: 0.9216833047200668
Energy: 0.6001229272985296
Energy: 0.6014776041711702
Energy: 0.6061814856331497
Energy: 0.5995645914372021
Energy: 0.6064761298448055
Energy: 0.8837384027711882
Energy: 0.604232071567742
Energy: 0.6043182816319705
Energy: 0.5922355604116283
Energy: 0.6035190463025351
Energy: 0.5990559722246407
Energy: 0.7742786289034762
Energy: 0.6070813763914412
Energy: 0.6056947014406299
Energy: 0.6011235963417523
Energy: 0.606910583389686
Energy: 0.6059850843501626
Energy: 0.7723447296553279
Energy: 0.6142332246522236
Energy: 0.6100652193137671
Energy: 0.5949773066385566
Energy: 0.6164285824613174
Energy: 0.6031977805090385
Energy: 0.7664495407587566
Energy: 0.5880796314213875
Energy: 0.5873703053241912
Energy: 0.6266034266780408
Energy: 0.5885068123281122
Energy: 0.5922104539138475
Energy: 0.6874891000742788
Energy: 0.6093817053054152
Energy: 0.6102498776000425
Energy: 0.598045331945985
Energy: 0.6043181876587512
Energy: 0.5919459683976444
Energy: 0.6871554552931338
Energy: 0.6161463553903921
Energy: 0.6148603799114294
Energy: 0.5940714574714561
Energy: 0.6055506195625449
Energy: 0.5923349796484814
Energy: 0.7486390211973151
Energy: 0.5862998330142942
Energy: 0.587256800778881
Energy: 0.6154497679966531
Energy: 0.5878231926470489
Energy: 0.5879611813402206
Energy: 0.7157723201177951
Energy: 0.613752441505726
Energy: 0.6030464381869958
Energy: 0.592552396043295
Energy: 0.6169434506611294
Energy: 0.5923392855399117
Energy: 0.7166897588328047
Energy: 0.6018809474087284
Energy: 0.6011612794756891
Energy: 0.615601085695385
Energy: 0.6021518032257364
Energy: 0.61673725968583
Energy: 0.8497769281280793
Energy: 0.6053250808503869
Energy: 0.6066642201113298
Energy: 0.5976536283087895
Energy: 0.607002010734101
Energy: 0.6058431008544259
Energy: 0.8490909599496068
Energy: 0.6010885483423153
Energy: 0.5995342553492953
Energy: 0.5996271325929404
Energy: 0.6013263677122136
Energy: 0.6162624330202042
Energy: 0.8499620637968504
Energy: 0.6102116979181267
Energy: 0.6081653027201291
Energy: 0.6006170083978798
Energy: 0.5991109612922185
Energy: 0.6162019494632144
Energy: 0.8930145490464165
Energy: 0.6002860271473797
Energy: 0.6157727074572581
Energy: 0.6017043210131106
Energy: 0.5989756659312042
Energy: 0.6079719069441031
Energy: 0.9526230138632258
Energy: 0.5975143169352938
Energy: 0.5889411550888888
Energy: 0.6025919534817474
Energy: 0.5973526316275086
Energy: 0.5898528442870549
Energy: 0.9666227714320985
Energy: 0.6060783586729597
Energy: 0.6166004707510921
Energy: 0.6017827337366992
Energy: 0.6068810546228998
Energy: 0.601281955558453
Energy: 0.9553419427216022
Energy: 0.5919035363734606
Energy: 0.5920335264509314
Energy: 0.6224360507065289
Energy: 0.5951439435976557
Energy: 0.6027812167764754

minimum gb energy = 0.5862998330142942 eV
minimum distance =  2.40895266762883 Angstroms
sigma value = 33


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

Energy: 1.2272841543130706
Energy: 0.639840266161228
Energy: 0.6397405066310377
Energy: 0.6345413518509472
Energy: 0.6583310426920873
Energy: 0.7064220058859711
Energy: 0.9201007321090169
Energy: 0.6241462737823311
Energy: 0.5947719442729387
Energy: 0.607892436034847
Energy: 0.624574352022207
Energy: 0.5952141365924586
Energy: 0.9040680644657856
Energy: 0.6109098817915823
Energy: 0.6119157985224809
Energy: 0.6419610231238649
Energy: 0.6117144644797284
Energy: 0.606916964136558
Energy: 0.9527090097118209
Energy: 0.6638764576201318
Energy: 0.6457936601084924
Energy: 0.6375650775283344
Energy: 0.6404194910558481
Energy: 0.6488800511669536
Energy: 0.9172089078198985
Energy: 0.6047296510916063
Energy: 0.6065490041470813
Energy: 0.6015736619187584
Energy: 0.5948820132344363
Energy: 0.6110344037737329
Energy: 0.9656646701265007
Energy: 0.6251120779037636
Energy: 0.6586006183959024
Energy: 0.6141813106729066
Energy: 0.6926034313742941
Energy: 0.623634864334768
Energy: 0.964672202002759
Energy: 0.6969193508385229
Energy: 0.6971629080011015
Energy: 0.6142930660235675
Energy: 0.6976653590947949
Energy: 0.6890146516920012
Energy: 0.9156377284253974
Energy: 0.6353487245729518
Energy: 0.6360204301387679
Energy: 0.6275932351757793
Energy: 0.6305049967916575
Energy: 0.6179174255298541
Energy: 0.8206510468895637
Energy: 0.6350263318741741
Energy: 0.6823386131741392
Energy: 0.6863285864464178
Energy: 0.6308434110325836
Energy: 0.7129414561470401
Energy: 0.8257108614644199
Energy: 0.6717051240061138
Energy: 0.675978519273558
Energy: 0.666507123140904
Energy: 0.6698442422270574
Energy: 0.6613953579934674
Energy: 0.8262655182438592
Energy: 0.6354668438388285
Energy: 0.6272213057789446
Energy: 0.6582739828653376
Energy: 0.6135996422828707
Energy: 0.6263358954844402
Energy: 0.7562667667390927
Energy: 0.6023620866839331
Energy: 0.6774186401261949
Energy: 0.6993669584560999
Energy: 0.5977107269122697
Energy: 0.659542190956769
Energy: 0.7592773002840063
Energy: 0.6789104007792155
Energy: 0.7007318855761525
Energy: 0.7148027111343501
Energy: 0.6608761812094625
Energy: 0.6675043330953438
Energy: 0.7625950132822876
Energy: 0.623000566435161
Energy: 0.6490730210443316
Energy: 0.7451694494259637
Energy: 0.6232393025904688
Energy: 0.6198190095917564
Energy: 0.8065800130854694
Energy: 0.6820005103208433
Energy: 0.6879792532877862
Energy: 0.6730016448143278
Energy: 0.6663429921011782
Energy: 0.6745930580169405
Energy: 0.8028809542463898
Energy: 0.6862553422705059
Energy: 0.6859219638747837
Energy: 0.7051443585692438
Energy: 0.6854419492259166
Energy: 0.717968515980574
Energy: 0.9145704762756032
Energy: 0.6877200989960465
Energy: 0.6791159589569771
Energy: 0.6977116077937805
Energy: 0.6852960858898326
Energy: 0.7053651838079972
Energy: 0.8654912619382154
Energy: 0.676121266729534
Energy: 0.6700456361908116
Energy: 0.6313535323306126
Energy: 0.6757133271339097
Energy: 0.6744468083482935
Energy: 0.8682400264982473
Energy: 0.688081228163663
Energy: 0.6838357455643513
Energy: 0.6305210847391451
Energy: 0.6873733423827784
Energy: 0.7094640101208894
Energy: 0.9396672217589016
Energy: 0.6700635515920337
Energy: 0.6708238903509569
Energy: 0.6710009764887985
Energy: 0.6751903493605186
Energy: 0.6771959070622587
Energy: 1.0088862232466647
Energy: 0.7119396453908341
Energy: 0.6341409833798388
Energy: 0.5784960567407378
Energy: 0.7139577585518346
Energy: 0.6344245190317213
Energy: 0.8291434154309909
Energy: 0.697749108692609
Energy: 0.6895961216965383
Energy: 0.597027380994101
Energy: 0.7014076521979258
Energy: 0.6837833636008035
Energy: 0.9343640754215773
Energy: 0.685931269522276
Energy: 0.668990797133522
Energy: 0.6847653959480037
Energy: 0.6857544315891811
Energy: 0.6689716577441904
Energy: 1.0300859548077235
Energy: 0.7234838188394601
Energy: 0.740169149409203
Energy: 0.6918290111294044
Energy: 0.7243929797958577
Energy: 0.6977662131706306
Energy: 0.8926847330030367
Energy: 0.6758176296097237
Energy: 0.6748697231412969
Energy: 0.6650117075302145
Energy: 0.6739475428102825
Energy: 0.6748690966254632
Energy: 0.9139275669390572
Energy: 0.716750499929671
Energy: 0.7149524309287103
Energy: 0.6850777686731354
Energy: 0.7159031943622597
Energy: 0.6843612997660178
Energy: 0.9642529453077107
Energy: 0.697052129640663
Energy: 0.7033388409978774
Energy: 0.6818304160714402
Energy: 0.697188572771209
Energy: 0.7045492197181624
Energy: 0.9144099019162956
Energy: 0.629907596269121
Energy: 0.6756435770128812
Energy: 0.6705033222186946
Energy: 0.6328276428199321
Energy: 0.6723963134067397
Energy: 0.8273113892323276
Energy: 0.630252516137784
Energy: 0.6754218648810012
Energy: 0.6866815028934257
Energy: 0.6332790132812639
Energy: 0.7141116207392987
Energy: 0.8254432735040731
Energy: 0.6823224690384164
Energy: 0.677828083247507
Energy: 0.6862576593138086
Energy: 0.6693397013709393
Energy: 0.6973988116638306
Energy: 0.8168914510640255
Energy: 0.6086690482214754
Energy: 0.6346237210942557
Energy: 0.7219336949396377
Energy: 0.5807299961721316
Energy: 0.6341645781216674
Energy: 0.7592285633031216
Energy: 0.5793826026164139
Energy: 0.5786880378270819
Energy: 0.7027218549494727
Energy: 0.5798268362606538
Energy: 0.6991420281414458
Energy: 0.7548218513174376
Energy: 0.6787917100699898
Energy: 0.6600641943541823
Energy: 0.684712129639096
Energy: 0.6829169023997247
Energy: 0.6118401466129488
Energy: 0.7601754394678966
Energy: 0.6706903576743882
Energy: 0.6493543004597451
Energy: 0.7141086322640424
Energy: 0.6707229455365168
Energy: 0.617478061119993
Energy: 0.8017919429688268
Energy: 0.6844908432109109
Energy: 0.6156073040819126
Energy: 0.604420032321101
Energy: 0.6639967677015738
Energy: 0.6715658925875705
Energy: 0.7974334614154623
Energy: 0.6141530658928637
Energy: 0.6799375261735984
Energy: 0.6357314935330138
Energy: 0.6143814842375113
Energy: 0.6440409592685988
Energy: 0.8043155132650881
Energy: 0.6126521025804795
Energy: 0.6457973204071499
Energy: 0.6141101253098769
Energy: 0.617263263083435
Energy: 0.6366293733211967
Energy: 0.8691834920790813
Energy: 0.6108577913377904
Energy: 0.634998105486823
Energy: 0.630540706234946
Energy: 0.607473836357477
Energy: 0.6387166558596772
Energy: 0.8643060986745219
Energy: 0.6126038366078517
Energy: 0.613230208089782
Energy: 0.631419487601753
Energy: 0.6201887863214499
Energy: 0.6535217995700779
Energy: 0.9161889061073684
Energy: 0.6020414976866288
Energy: 0.6270994614776423
Energy: 0.6076625827780091
Energy: 0.6122866670088918
Energy: 0.6106397739031671
Energy: 1.0260879025558858
Energy: 0.631174647149673
Energy: 0.6343515609670384
Energy: 0.5802872409475682
Energy: 0.630231399455403
Energy: 0.6473869426257318

minimum gb energy = 0.5784960567407378 eV
minimum distance =  2.33306529953708 Angstroms
sigma value = 51


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

Energy: 1.09890320306499
Energy: 0.6360737959263
Energy: 0.6403541521942644
Energy: 0.6430391082044393
Energy: 0.6366005026693657
Energy: 0.6424390798405412
Energy: 0.8277292873418799
Energy: 0.6368055840624239
Energy: 0.6300361716392168
Energy: 0.6516320335856084
Energy: 0.6362909675409743
Energy: 0.6258514720933707
Energy: 0.9614246231188995
Energy: 0.6358983513386178
Energy: 0.6365419587861975
Energy: 0.6415518510714333
Energy: 0.6371623283362673
Energy: 0.6319549380698213
Energy: 0.9418636336355729
Energy: 0.636366543798275
Energy: 0.6380386139976256
Energy: 0.6431729039136527
Energy: 0.6330005242365379
Energy: 0.6226482273066641
Energy: 0.8269571050247373
Energy: 0.6516789645995724
Energy: 0.6598249571016015
Energy: 0.6537329854172758
Energy: 0.6508653746068271
Energy: 0.6596178903757629
Energy: 0.8260349513237988
Energy: 0.6527995531898054
Energy: 0.65749074449406
Energy: 0.6499419282744799
Energy: 0.6503579902648826
Energy: 0.6573097743871708
Energy: 0.827518836053889
Energy: 0.6502445026353177
Energy: 0.6591754186930524
Energy: 0.6506121416350628
Energy: 0.6508773154194321
Energy: 0.6589565435933639
Energy: 0.8246584588668935
Energy: 0.622570320638543
Energy: 0.6291791228277466
Energy: 0.6441573588443898
Energy: 0.6227024415180341
Energy: 0.6293710369315008
Energy: 0.7023100748020376
Energy: 0.6226976420450437
Energy: 0.6295271589122552
Energy: 0.6371377568519074
Energy: 0.6229825781915647
Energy: 0.6312558097693227
Energy: 0.703043684903796
Energy: 0.6587422248100151
Energy: 0.6271167200653782
Energy: 0.6362805179432935
Energy: 0.6252414808648462
Energy: 0.6305091742015471
Energy: 0.7008953599043501
Energy: 0.6306464147333929
Energy: 0.6267281943790771
Energy: 0.6348832389701237
Energy: 0.6257338285748892
Energy: 0.6250668251432618
Energy: 0.7337855445827649
Energy: 0.6247772595052459
Energy: 0.6409942814042724
Energy: 0.6310896108248656
Energy: 0.6303943679621702
Energy: 0.624130111005052
Energy: 0.732008959442771
Energy: 0.6428098472812325
Energy: 0.6464566120277399
Energy: 0.652906521477733
Energy: 0.6434471383989936
Energy: 0.6321089613605902
Energy: 0.7338244088200284
Energy: 0.6276414206867003
Energy: 0.6284176942402895
Energy: 0.6312523917230861
Energy: 0.626680190684305
Energy: 0.6282559652810805
Energy: 0.8814168399555002
Energy: 0.6283324320663829
Energy: 0.6411287094092594
Energy: 0.6191389943771656
Energy: 0.6259035023948208
Energy: 0.6407051671611578
Energy: 0.879586492613654
Energy: 0.6328816218356442
Energy: 0.6463865832768645
Energy: 0.6519778837951072
Energy: 0.6310980595047588
Energy: 0.6195132848668399
Energy: 0.8903393830115514
Energy: 0.6347655963669414
Energy: 0.6484608533239938
Energy: 0.6511806233166562
Energy: 0.631926763849176
Energy: 0.641477064406546
Energy: 1.003027041689661
Energy: 0.6241702764618011
Energy: 0.6246868131371738
Energy: 0.6212128324243341
Energy: 0.6239514526259775
Energy: 0.624548194234064

minimum gb energy = 0.6191389943771656 eV
minimum distance =  2.3924886734728 Angstroms
sigma value = 19


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

Energy: 0.9160899316995745
Energy: 0.574696497026709
Energy: 0.5922376606027019
Energy: 0.6473989593893789
Energy: 0.5766933802589448
Energy: 0.5943766785827614
Energy: 0.7778184480447374
Energy: 0.5748220411318744
Energy: 0.5747619152552381
Energy: 0.6000620097136594
Energy: 0.5738845469386026
Energy: 0.5745215371267052
Energy: 0.9572047514766338
Energy: 0.5736627710313946
Energy: 0.5740581643299011
Energy: 0.6105759064171266
Energy: 0.5736032825471433
Energy: 0.5744531423393682
Energy: 0.7701106989294885
Energy: 0.5739161603893534
Energy: 0.5744160958418896
Energy: 0.5903380173211421
Energy: 0.5743509010757453
Energy: 0.5749921836824228
Energy: 0.7781994832494754
Energy: 0.5743579799406702
Energy: 0.5980864971271531
Energy: 0.598118003798753
Energy: 0.5744120729740997
Energy: 0.5982923182586557
Energy: 0.7752629127231659
Energy: 0.5503048009692102
Energy: 0.5956933920758026
Energy: 0.5993951731908123
Energy: 0.5500962122975479
Energy: 0.595403406053883
Energy: 0.7768611554666754
Energy: 0.5995057030953762
Energy: 0.5962049192882479
Energy: 0.6005741254936358
Energy: 0.5598529680938826
Energy: 0.5959136904741898
Energy: 0.7344325373376057
Energy: 0.5509815248222707
Energy: 0.5505070505936163
Energy: 0.5751176444962084
Energy: 0.5532215652972182
Energy: 0.5504904356326719
Energy: 0.6414336748346869
Energy: 0.5508142012652206
Energy: 0.5506807746308013
Energy: 0.5739188632806377
Energy: 0.5517245232107142
Energy: 0.5506548230653145
Energy: 0.6406453388209189
Energy: 0.5748364061850332
Energy: 0.5744211475759391
Energy: 0.5738739922029717
Energy: 0.5991049208282293
Energy: 0.5742802115457074
Energy: 0.6386223848866417
Energy: 0.6122542285979743
Energy: 0.6120866320558713
Energy: 0.5727963364625137
Energy: 0.6123492546604793
Energy: 0.5745178314842634
Energy: 0.7769587546890951
Energy: 0.5990896702616109
Energy: 0.5987804236115417
Energy: 0.5741839508774361
Energy: 0.5993095345160573
Energy: 0.5741594038457125
Energy: 0.6181996763607148
Energy: 0.5981393493610797
Energy: 0.5989936955556845
Energy: 0.5496814969663396
Energy: 0.5986544744764696
Energy: 0.5994347238100545
Energy: 0.777681159945627
Energy: 0.5996709956260349
Energy: 0.599113309148585
Energy: 0.5744188559354177
Energy: 0.6000473756571512
Energy: 0.5989173809163424
Energy: 0.9159495598088754
Energy: 0.5742970929664967
Energy: 0.5744136214258027
Energy: 0.5512044828337365
Energy: 0.5742988237466267
Energy: 0.5506132315091333
Energy: 0.9176150343669534
Energy: 0.5771639041583237
Energy: 0.5501936268650736
Energy: 0.5521222552975243
Energy: 0.5747450650773606
Energy: 0.5503215883822619
Energy: 0.7781383133684888
Energy: 0.5742967064817752
Energy: 0.57475189801554
Energy: 0.6007912526338655
Energy: 0.5737651679432562
Energy: 0.574443169523982
Energy: 0.7706445449827658
Energy: 0.5738064475175392
Energy: 0.574511215483261
Energy: 0.5896881472936804
Energy: 0.5737893721382942
Energy: 0.5752596012329103
Energy: 0.7722593207537254
Energy: 0.5735237817540468
Energy: 0.5737982542103539
Energy: 0.591056546693388
Energy: 0.5735154047145177
Energy: 0.5745451705809015
Energy: 0.7776727119172114
Energy: 0.5501021505897395
Energy: 0.5967773735995238
Energy: 0.5980962983581527
Energy: 0.5501508143239929
Energy: 0.5962919497282765
Energy: 0.7719152383157727
Energy: 0.5977260390467986
Energy: 0.5979685465131925
Energy: 0.6003506398891668
Energy: 0.5981447172675332
Energy: 0.5985121710087196
Energy: 0.7771987872746132
Energy: 0.5998376123024864
Energy: 0.5993761749446651
Energy: 0.5995190286455601
Energy: 0.5998243417112356
Energy: 0.598824871796023
Energy: 0.7358443126381099
Energy: 0.6482016901950033
Energy: 0.6103404315893523
Energy: 0.6712521757103929
Energy: 0.6480116423224367
Energy: 0.6106233210818657
Energy: 0.6410098850874529
Energy: 0.5751577593251561
Energy: 0.5745535992736928
Energy: 0.5739951164257528
Energy: 0.5851163846438915
Energy: 0.5743989909982279
Energy: 0.6409331591779
Energy: 0.6162468528579481
Energy: 0.5740089414512503
Energy: 0.5736789915950435
Energy: 0.6220664488427488
Energy: 0.5740491278973158
Energy: 0.7365512033451046
Energy: 0.590622273733299
Energy: 0.5906752004511642
Energy: 0.6726209119394531
Energy: 0.5904798953928688
Energy: 0.5741190111097809
Energy: 0.7773098214100557
Energy: 0.5991832054215253
Energy: 0.5986632549449622
Energy: 0.5994007611649224
Energy: 0.5981805933256006
Energy: 0.5982691586360047
Energy: 0.6190789849686809
Energy: 0.5982065015869423
Energy: 0.5961019186501366
Energy: 0.550079266434942
Energy: 0.5989579711087326
Energy: 0.595344621525629
Energy: 0.7342048513054946
Energy: 0.5992740733996241
Energy: 0.5971690599932518
Energy: 0.5596959047184807
Energy: 0.5996729639660892
Energy: 0.5962976173630895
Energy: 0.9151879999974357
Energy: 0.5751820898119582
Energy: 0.5506455264598366
Energy: 0.5525992015933463
Energy: 0.5745498085336395
Energy: 0.5506455567376811

minimum gb energy = 0.5496814969663396 eV
minimum distance =  2.42306066767125 Angstroms
sigma value = 27


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

Energy: 0.7623220355298647
Energy: 1.19109137353567
Energy: 0.6740140207495752
Energy: 0.5792750283960704
Energy: 1.1914697603236257
Energy: 0.6741280771210508
Energy: 0.7539009656228042
Energy: 0.622672548276607
Energy: 0.5706502514828077
Energy: 0.5648955779856678
Energy: 0.6225091196092465
Energy: 0.5595400526902975
Energy: 0.6867508925069826
Energy: 0.6205806438021364
Energy: 0.5703908625099915
Energy: 0.5723866243021613
Energy: 0.6191549695368815
Energy: 0.5695196163314676
Energy: 0.7542621457765686
Energy: 0.5765151995143523
Energy: 0.5689171779412598
Energy: 0.6062305909888607
Energy: 0.6047430458076944
Energy: 0.5545798603462377
Energy: 0.7559922310090091
Energy: 0.5382177366071524
Energy: 0.5653901209327417
Energy: 0.6051863189270563
Energy: 0.5255781391417967
Energy: 0.5695722646089582
Energy: 0.6420285465798656
Energy: 0.5224199836735262
Energy: 0.5240177775773903
Energy: 0.6187662722894904
Energy: 0.522989818101543
Energy: 0.5380680844315707
Energy: 0.6456759323406502
Energy: 0.5636782185557111
Energy: 0.56965303949415
Energy: 0.6209584681017511
Energy: 0.5649949036124836
Energy: 0.5693278588122206
Energy: 0.6451503299075099
Energy: 0.5625440732961862
Energy: 0.5603930866943256
Energy: 0.6223206406117848
Energy: 0.5786260219629468
Energy: 0.5649550002435728
Energy: 0.6862896646358382
Energy: 0.5628682883567322
Energy: 0.559866795659637
Energy: 0.6228454273883
Energy: 0.5758964836718365
Energy: 0.5546841385134905
Energy: 0.5985521480086403
Energy: 0.5709137522026004
Energy: 0.5824538663058318
Energy: 0.5793910459359024
Energy: 0.5765917139723383
Energy: 0.580999428943991
Energy: 0.6878917546285089
Energy: 0.5746161018431936
Energy: 0.5758118233464533
Energy: 0.5799221326359192
Energy: 0.5758749768704371
Energy: 0.5781018078531992
Energy: 0.6773264077550591
Energy: 0.5689964676981945
Energy: 0.5690039601863961
Energy: 0.5654411424267864
Energy: 0.5704661996194528
Energy: 0.5595415985347266

minimum gb energy = 0.5224199836735262 eV
minimum distance =  2.43625041171065 Angstroms
sigma value = 9


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

Energy: 1.384643763158597
Energy: 0.512729369978949
Energy: 0.5898727192963876
Energy: 0.5046367692548728
Energy: 0.5126953069947235
Energy: 0.4908663011465577
Energy: 0.5756322892302108
Energy: 0.5010567494262032
Energy: 0.5301169188070802
Energy: 0.5014319000882802
Energy: 0.5306850821736404
Energy: 0.4994259570221761
Energy: 0.5766988955347874
Energy: 0.5257033442208875
Energy: 0.5270243733598706
Energy: 0.5291152076563365
Energy: 0.5276169851539425
Energy: 0.5013599971747833
Energy: 0.577729822512197
Energy: 0.5135480379925242
Energy: 0.5133862545896526
Energy: 0.5346994071213677
Energy: 0.5284833970216873
Energy: 0.5006735623791004
Energy: 0.6116654363026955
Energy: 0.533905647988248
Energy: 0.5418127349581547
Energy: 0.5554639373752817
Energy: 0.5337715523011989
Energy: 0.5170506309318261
Energy: 0.5703996034486694
Energy: 0.5538781103984721
Energy: 0.5122815316143229
Energy: 0.580436147241344
Energy: 0.5526510249287359
Energy: 0.5042053488885505
Energy: 0.5714603740337776
Energy: 0.5013214036161313
Energy: 0.5013438923292017
Energy: 0.5677592944017466
Energy: 0.5015965611488948
Energy: 0.5575096481517245
Energy: 0.5720602732563925
Energy: 0.5332382892506349
Energy: 0.5399787286208869
Energy: 0.5120382366110997
Energy: 0.5444825158158529
Energy: 0.5205095011893737
Energy: 0.5480446773745659
Energy: 0.553651324057677
Energy: 0.5443135419832189
Energy: 0.5600531719508784
Energy: 0.5524221882140277
Energy: 0.5374100026101296
Energy: 0.530599777414646
Energy: 0.5117704375220482
Energy: 0.5109538554118851
Energy: 0.5430442674670082
Energy: 0.5410626947903296
Energy: 0.4968989411411763
Energy: 0.5306674012344818
Energy: 0.5553967108913067
Energy: 0.5487753385965782
Energy: 0.5370570065885262
Energy: 0.5536716181002949
Energy: 0.532576594610969
Energy: 0.6180632715137526
Energy: 0.5627823007766098
Energy: 0.5570475468242957
Energy: 0.5133816318829355
Energy: 0.5680756463060367
Energy: 0.5063029840210379
Energy: 0.7869930232451073
Energy: 0.570564287608441
Energy: 0.5459620220457705
Energy: 0.5008427398243044
Energy: 0.5528476778326163
Energy: 0.5302244112031815
Energy: 0.6190996761778862
Energy: 0.5140509250437374
Energy: 0.5168791672782053
Energy: 0.5139892190365812
Energy: 0.5517125554700344
Energy: 0.518482907797692
Energy: 0.5570025870770378
Energy: 0.511212460176861
Energy: 0.5101168541377129
Energy: 0.5319463332684586
Energy: 0.5149563632663358
Energy: 0.5618854059614165
Energy: 0.5566290380434873
Energy: 0.5000874923592635
Energy: 0.503849447415142
Energy: 0.5401439235999179
Energy: 0.5329804191903458
Energy: 0.5148858579694272
Energy: 0.5562007440639603
Energy: 0.49819600772448946
Energy: 0.4922477550970582
Energy: 0.530510204871361
Energy: 0.5114657610633756
Energy: 0.5036525110769617
Energy: 0.6019387962453329
Energy: 0.48707046450068503
Energy: 0.49947558727411745
Energy: 0.5361949738234034
Energy: 0.5077389484088363
Energy: 0.5055618569134465
Energy: 0.5772798722180479
Energy: 0.49758405856946786
Energy: 0.4995360746342379
Energy: 0.5104852325196068
Energy: 0.5083778316781031
Energy: 0.5016927008412998
Energy: 0.5747555400821176
Energy: 0.5095111319679971
Energy: 0.49967346032853627
Energy: 0.5093636985665362
Energy: 0.5091898466393958
Energy: 0.5009105611194117
Energy: 0.5766004401425876
Energy: 0.4987953318137649
Energy: 0.5027655015395297
Energy: 0.5198821009831753
Energy: 0.5107576631414319
Energy: 0.4999078271248808
Energy: 0.5935487431830003
Energy: 0.515769850995116
Energy: 0.5081649342439647
Energy: 0.5006064529583656
Energy: 0.5169091578238282
Energy: 0.5160004518358768
Energy: 0.5907054417463319
Energy: 0.5179512643384824
Energy: 0.5112247757316847
Energy: 0.5320525443386905
Energy: 0.5305119854904502
Energy: 0.4815708730152643
Energy: 0.576497415621476
Energy: 0.5264748939767624
Energy: 0.5139937378529387
Energy: 0.5271989930592248
Energy: 0.5397003703120943
Energy: 0.5169656219788381
Energy: 0.799729444655007
Energy: 0.5312305225332742
Energy: 0.559687721392067
Energy: 0.5469045838516782
Energy: 0.5445437339993354
Energy: 0.559888571716923
Energy: 0.5760877999112497
Energy: 0.5009043993736456
Energy: 0.5176647011807235
Energy: 0.5269165930405627
Energy: 0.5138639027719245
Energy: 0.5168981919094693
Energy: 0.5476794437226473
Energy: 0.5122911705016412
Energy: 0.525301519509942
Energy: 0.5473825110605386
Energy: 0.513586667045265
Energy: 0.5092456081054328
Energy: 0.5711566722961806
Energy: 0.501155486907751
Energy: 0.49422530612315735
Energy: 0.568533110780703
Energy: 0.5144188648235599
Energy: 0.4937659158685119
Energy: 0.5710403888037673
Energy: 0.5215751991931282
Energy: 0.5475446589472316
Energy: 0.5682299198131827
Energy: 0.5527282776450704
Energy: 0.5485441937303819
Energy: 0.5481589211992485
Energy: 0.5338512216462838
Energy: 0.5289624541919502
Energy: 0.5296405928040794
Energy: 0.5330189522516258
Energy: 0.5018353480599987
Energy: 0.5307834232780921
Energy: 0.506788309590623
Energy: 0.5347763044238563
Energy: 0.5702981747000349
Energy: 0.5392417071063808
Energy: 0.5432388186018134
Energy: 0.5304807785274014
Energy: 0.5517214283320433
Energy: 0.5182377307389425
Energy: 0.5433102013964829
Energy: 0.5517931358625959
Energy: 0.5052873019739237
Energy: 0.5634756635211197
Energy: 0.5608652484171953
Energy: 0.5562895330750441
Energy: 0.558314154741287
Energy: 0.5680516509325927
Energy: 0.5335841592059232
Energy: 0.5630321194597179
Energy: 0.5515204365813297
Energy: 0.532302469909969
Energy: 0.5299121449424611
Energy: 0.5682211631111826
Energy: 0.49203586709282454
Energy: 0.5614877276965147
Energy: 0.5164088531746279
Energy: 0.5018834803992339
Energy: 0.5561706570059545
Energy: 0.554902852879372
Energy: 0.5165012516322282
Energy: 0.5641581822425628
Energy: 0.5093869170107241
Energy: 0.5008632423463516
Energy: 0.5420790328568064
Energy: 0.5120551275583396
Energy: 0.5002558739411022
Energy: 0.5559005825139937
Energy: 0.5306175828478226
Energy: 0.5027900218331944
Energy: 0.5409403880098469
Energy: 0.5442765879519222
Energy: 0.5184897863332448
Energy: 0.5564719223167843
Energy: 0.5027371550504159
Energy: 0.5031557776129675
Energy: 0.5305740394254361
Energy: 0.5006140277930705
Energy: 0.5279413906991783
Energy: 0.542511307355733
Energy: 0.5055198199895226
Energy: 0.5396195996334464
Energy: 0.5336544020201608
Energy: 0.496693071196705
Energy: 0.5376125289613863
Energy: 0.5777360003491203
Energy: 0.5025247319967143
Energy: 0.5032524573086186
Energy: 0.5298022975142049
Energy: 0.5020743769071995
Energy: 0.5052838140189253
Energy: 0.5724891929797525
Energy: 0.5024902621778554
Energy: 0.503496913049683
Energy: 0.5090967592606572
Energy: 0.5003406328533919
Energy: 0.5012894924688043
Energy: 0.5772729560779863
Energy: 0.5102334592378943
Energy: 0.5145401813333352
Energy: 0.4991311782260794
Energy: 0.5097985566550207
Energy: 0.49844882354616993
Energy: 0.59117126891778
Energy: 0.5002658259753089
Energy: 0.5060540072327875
Energy: 0.5325685328519077
Energy: 0.5102817611639614
Energy: 0.48118401197372646

minimum gb energy = 0.48118401197372646 eV
minimum distance =  2.3925777571431 Angstroms
sigma value = 57


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

Energy: 0.7484895337971907
Energy: 0.3256942632896277
Energy: 0.4521966961954334
Energy: 0.4550676409493275
Energy: 0.3115102183756242
Energy: 0.46908007020549164
Energy: 0.30080913194543984
Energy: 0.5146086351957946
Energy: 0.4963581888886208
Energy: 0.5037085273760534
Energy: 0.49597583416846586
Energy: 0.5153624689401294
Energy: 0.6101229878665074
Energy: 0.5026250854929217
Energy: 0.49641612703306837
Energy: 0.5020493758905147
Energy: 0.5193452496027686
Energy: 0.49648018951079287
Energy: 0.2996667039379584
Energy: 0.4960902665287287
Energy: 0.4963128217305673
Energy: 0.26074170854923445
Energy: 0.259752521419792
Energy: 0.49605844946105426
Energy: 0.3005675367337314
Energy: 0.46571405613882977
Energy: 0.46356631329528186
Energy: 0.2595429456301785
Energy: 0.4740800939691883
Energy: 0.2526218166929014
Energy: 0.3226661895470257
Energy: 0.48066971091058697
Energy: 0.46340545135520456
Energy: 0.2877998574129659
Energy: 0.482135430432337
Energy: 0.44350447152972317
Energy: 0.708060629560403
Energy: 0.2515066950309706
Energy: 0.25213594954990765
Energy: 0.2831631403718814
Energy: 0.2526885904233922
Energy: 0.2523604157803976
Energy: 0.33264363362440275
Energy: 0.2527800928323792
Energy: 0.24968820452119275
Energy: 0.25868649932750204
Energy: 0.26001008277704524
Energy: 0.2531541856453859
Energy: 0.24993167729384852
Energy: 0.26747689798030777
Energy: 0.2514096320753522
Energy: 0.2510589680187739
Energy: 0.25166290167399996
Energy: 0.25228500944859006
Energy: 0.24963081903095397
Energy: 0.267209915833787
Energy: 0.2535119509379041
Energy: 0.2500894934254058
Energy: 0.27921430316102763
Energy: 0.2546568798737093
Energy: 0.2497186542103528
Energy: 0.2550952093245801
Energy: 0.25195833455174005
Energy: 0.2503076779563232
Energy: 0.2517457160504609
Energy: 0.2523022523909307
Energy: 0.2503973098898635
Energy: 0.26155847282486056
Energy: 0.2507733115310398
Energy: 0.25287018300038444
Energy: 0.25286594946301066
Energy: 0.26638151599522425
Energy: 0.6331545117283462
Energy: 0.2652363795592503
Energy: 0.26608752275988407
Energy: 0.25442956512385156
Energy: 0.25794325925366884
Energy: 0.26562138412532643
Energy: 0.33047585370411825
Energy: 0.25936590816645566
Energy: 0.2542859103990086
Energy: 0.29058683285359704
Energy: 0.25997414893986787
Energy: 0.26608472131174415
Energy: 0.3277986980479442
Energy: 0.47953667693689456
Energy: 0.4821405412855746
Energy: 0.2940347999269516
Energy: 0.4820581102014599
Energy: 0.4653420368062949
Energy: 0.2993426674967212
Energy: 0.28397441414679697
Energy: 0.25244976118684864
Energy: 0.2515914654611489
Energy: 0.44649473556259517
Energy: 0.26626986054478874
Energy: 0.596149797726409
Energy: 0.5188716565990056
Energy: 0.5141853754407947
Energy: 0.5171972515694954
Energy: 0.4937780252087467
Energy: 0.5142587767798951
Energy: 0.2997464009646512
Energy: 0.5011378545867581
Energy: 0.5001352117256583
Energy: 0.5085521267866702
Energy: 0.511399155327644
Energy: 0.4995776354870556
Energy: 0.6399820663274285
Energy: 0.5135084896574034
Energy: 0.4950889010429128
Energy: 0.47514742526793136
Energy: 0.5135287963084006
Energy: 0.49574336423974336

minimum gb energy = 0.24963081903095397 eV
minimum distance =  2.38420046295923 Angstroms
sigma value = 11


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

Energy: 0.8495275947791295
Energy: 0.4664302207904259
Energy: 0.4874853603017137
Energy: 0.49752776440844254
Energy: 0.4705401764707531
Energy: 0.4846615791313753
Energy: 0.42778968317551763
Energy: 0.43780646396093253
Energy: 0.43088118971287837
Energy: 0.43186213284064606
Energy: 0.42669563655873727
Energy: 0.4326494467410197
Energy: 0.43041567514948975
Energy: 0.43340184351376143
Energy: 0.43506241702090004
Energy: 0.42791373885092115
Energy: 0.43312341662553244
Energy: 0.43261197309914395
Energy: 0.4299363906594659
Energy: 0.43820475730047065
Energy: 0.439759521606514
Energy: 0.4275404720996631
Energy: 0.4311879189090336
Energy: 0.43405755401074186
Energy: 0.42770784665812345
Energy: 0.48467715571077113
Energy: 0.46193368560732145
Energy: 0.43837993809412323
Energy: 0.4685439731190971
Energy: 0.43818587298065387
Energy: 0.46646487340891085
Energy: 0.4656853388513472
Energy: 0.4721165663497799
Energy: 0.4357963324463642
Energy: 0.43915236252479845
Energy: 0.4647489409260869
Energy: 0.46735673282263546
Energy: 0.4292900862062444
Energy: 0.4324777360195015
Energy: 0.42610040586090886
Energy: 0.4320822338457103
Energy: 0.42916266056517893
Energy: 0.4455925950068696
Energy: 0.5140681291158334
Energy: 0.5144392773158559
Energy: 0.44062565085924377
Energy: 0.5146641839063063
Energy: 0.4333223022426815
Energy: 0.46759603204079025
Energy: 0.4341146944025399
Energy: 0.44256451570119115
Energy: 0.44088605553304494
Energy: 0.42694165491308783
Energy: 0.4428549467639692
Energy: 0.620425414286304
Energy: 0.4559626559394078
Energy: 0.4661920657937293
Energy: 0.43049608812234613
Energy: 0.4625684255119401
Energy: 0.46636111723250046
Energy: 0.49435973441841513
Energy: 0.4536390899912481
Energy: 0.4609823105782013
Energy: 0.46407268944030217
Energy: 0.4597542097542138
Energy: 0.4842588509744299
Energy: 0.5574944546269813
Energy: 0.41934975756006454
Energy: 0.4397357513412487
Energy: 0.48262939296077656
Energy: 0.41603490640447305
Energy: 0.4388420827182634
Energy: 0.618035221787511
Energy: 0.4211734406808504
Energy: 0.44257565873225574
Energy: 0.5238970231574303
Energy: 0.41744837103283045
Energy: 0.44193187694603625
Energy: 0.5318159192916831
Energy: 0.4855723074578823
Energy: 0.4832138898427
Energy: 0.45004098900872513
Energy: 0.48523073857901383
Energy: 0.48432047136981204
Energy: 0.5350583912612573
Energy: 0.4654957059350606
Energy: 0.4696073459750096
Energy: 0.47015123351331667
Energy: 0.46592625129849286
Energy: 0.460062076137481
Energy: 0.6649645986004465
Energy: 0.48941838757825995
Energy: 0.48643658470389695
Energy: 0.45430447390406714
Energy: 0.46791276851042485
Energy: 0.4844529678832829
Energy: 0.72575053160023
Energy: 0.464855561074804
Energy: 0.4253665698899391
Energy: 0.43694259116654754
Energy: 0.471001356279123
Energy: 0.4251117808657427
Energy: 0.5027995559550988
Energy: 0.45501605350209684
Energy: 0.48778953184298346
Energy: 0.4435456262478746
Energy: 0.4601134685871738
Energy: 0.48832021891622207
Energy: 0.4988439178154435
Energy: 0.4306794291626491
Energy: 0.46652832315407183
Energy: 0.4343028755164737
Energy: 0.4345828919931186
Energy: 0.4669824362417481
Energy: 0.5888873420413692
Energy: 0.4438169159503483
Energy: 0.5242545414858498
Energy: 0.4441442025420503
Energy: 0.5525435660054918
Energy: 0.45367342721428
Energy: 0.6643771283247302
Energy: 0.46619336798400557
Energy: 0.4655831855333621
Energy: 0.464570758518938
Energy: 0.48786433278980057
Energy: 0.45554770341902595
Energy: 0.43275960086655096
Energy: 0.49469784938665945
Energy: 0.49361510697225175
Energy: 0.4577728521585205
Energy: 0.4989607982861287
Energy: 0.4876361453672582
Energy: 0.42955930283562316
Energy: 0.46443387603388203
Energy: 0.461807597300926
Energy: 0.4323863597019035
Energy: 0.463764730672335
Energy: 0.45555984491694135
Energy: 0.514936226083284
Energy: 0.43089941295771306
Energy: 0.4326110720103014
Energy: 0.5152528547080497
Energy: 0.4292154220495378
Energy: 0.43260075344450155
Energy: 0.5151701294301126
Energy: 0.42800269494191506
Energy: 0.44275129281652603
Energy: 0.47006995770854804
Energy: 0.4268889646862552
Energy: 0.4323509880648188
Energy: 0.49264101654484244
Energy: 0.42865113720748915
Energy: 0.43820215021952946
Energy: 0.4636231986589699
Energy: 0.43884740192445226
Energy: 0.46237513328218355

minimum gb energy = 0.41603490640447305 eV
minimum distance =  2.40551195126031 Angstroms
sigma value = 41


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

Energy: 0.7112886430003448
Energy: 0.4832978083693725
Energy: 0.49197628337566346
Energy: 0.47703720853350207
Energy: 0.5188964878832002
Energy: 0.4878138139774415
Energy: 0.46806475295613675
Energy: 0.4763119422306319
Energy: 0.4695771524807058
Energy: 0.46491876141576544
Energy: 0.4749688394054974
Energy: 0.463398122651294
Energy: 0.4719709627868538
Energy: 0.471066314069817
Energy: 0.46534918284668836
Energy: 0.468093994855476
Energy: 0.470156689848727
Energy: 0.4654310461296994
Energy: 0.4722119251912208
Energy: 0.47220109204384103
Energy: 0.46479767315324877
Energy: 0.46808291382768885
Energy: 0.4687003479783509
Energy: 0.46672946944355065
Energy: 0.4679794978624611
Energy: 0.47931858097067526
Energy: 0.4772765378914796
Energy: 0.47472058602997586
Energy: 0.47882379850369683
Energy: 0.4636455339919144
Energy: 0.5287885996498325
Energy: 0.4736467905096106
Energy: 0.6038567133168471
Energy: 0.47870303821010507
Energy: 0.46763724737948065
Energy: 0.6037934591218445
Energy: 0.5295168280323518
Energy: 0.46647441911720366
Energy: 0.4675264199485379
Energy: 0.4652505036141459
Energy: 0.47561159624254357
Energy: 0.471353735418773
Energy: 0.49032639607261824
Energy: 0.6060721218047208
Energy: 0.606078445179808
Energy: 0.44575425476903163
Energy: 0.6060958975411013
Energy: 0.45764639032995524
Energy: 0.5291295031678837
Energy: 0.4659692416045311
Energy: 0.46361682194928716
Energy: 0.47607537667216826
Energy: 0.4693476045112797
Energy: 0.4641982680126293
Energy: 0.5277374307200184
Energy: 0.47825744181035146
Energy: 0.47209788908044853
Energy: 0.46658797224293486
Energy: 0.6043629655200197
Energy: 0.4708433466084692
Energy: 0.5274425128728288
Energy: 0.47588386880839734
Energy: 0.47701685245516723
Energy: 0.4660772408092164
Energy: 0.4666740027942257
Energy: 0.4776972911644344
Energy: 0.5328832651845943
Energy: 0.45631735099543663
Energy: 0.4566412383474304
Energy: 0.4776544379489802
Energy: 0.4463096317686441
Energy: 0.4715180647371402
Energy: 0.6046474196906444
Energy: 0.44559021174668867
Energy: 0.4457712250863767
Energy: 0.6142582902489806
Energy: 0.44652006197162747
Energy: 0.445869761187467
Energy: 0.4718678768166448
Energy: 0.4694822781736315
Energy: 0.4770285860072862
Energy: 0.4655138815995718
Energy: 0.47619660489734306
Energy: 0.464439949134859
Energy: 0.6048690878156647
Energy: 0.477884218126946
Energy: 0.463889736597093
Energy: 0.6050641717812996
Energy: 0.4923801915843629
Energy: 0.6057937503617441
Energy: 0.4684765346233446
Energy: 0.47667078233246735
Energy: 0.47092885264626017
Energy: 0.4751013358698464
Energy: 0.4747908937106455
Energy: 0.46563428769714055
Energy: 0.9531323549706258
Energy: 0.476205088456126
Energy: 0.4655032675263159
Energy: 0.445233342559792
Energy: 0.46986221900145914
Energy: 0.6285840617930563
Energy: 0.4883003387878885
Energy: 0.4675925631919222
Energy: 0.4681319712795995
Energy: 0.4570225055788392
Energy: 0.47841800944975094
Energy: 0.4469730844673706
Energy: 0.4713489615510618
Energy: 0.46893218618793103
Energy: 0.46812295179002034
Energy: 0.4666973138563556
Energy: 0.46859262086628695
Energy: 0.4713974754267007
Energy: 0.4697548636337212
Energy: 0.46738837488332885
Energy: 0.4641663255515483
Energy: 0.4677893689082462
Energy: 0.468219958586101
Energy: 0.46656401659260405
Energy: 0.46821430147412224
Energy: 0.4678738940130005
Energy: 0.46306941966141485
Energy: 0.4822540806379945
Energy: 0.46529247130810897
Energy: 0.46447588821796915
Energy: 0.6732407347792931
Energy: 0.48281576528436465
Energy: 0.49140661890535586
Energy: 0.6720608871310171
Energy: 0.49138764096334075
Energy: 0.47458445579992653
Energy: 0.5289410404047689
Energy: 0.4688901680747462
Energy: 0.4648586394232451
Energy: 0.47443228520961594
Energy: 0.4689495954953294
Energy: 0.4644279625961043
Energy: 0.4901020835270224
Energy: 0.46756666890432325
Energy: 0.6014389388313289
Energy: 0.44535670753650297
Energy: 0.6060611628443173
Energy: 0.4578208530343121
Energy: 0.5296549146457459
Energy: 0.4673145286835113
Energy: 0.4676714111135981
Energy: 0.47533462033290524
Energy: 0.46604059038943874
Energy: 0.47061643423444033
Energy: 0.5271651704952787
Energy: 0.4674013786284927
Energy: 0.46804866155902075
Energy: 0.4665431096639265
Energy: 0.4750580946075115
Energy: 0.4787237950059839
Energy: 0.5270938712726706
Energy: 0.615296974637257
Energy: 0.47180700793986124
Energy: 0.4664253501836252
Energy: 0.6025334212453316
Energy: 0.4707164134681848
Energy: 0.527188668576627
Energy: 0.4655237621609104
Energy: 0.47336319146904415
Energy: 0.4737979228649657
Energy: 0.4569008340636423
Energy: 0.46669685557312196
Energy: 0.604531239007773
Energy: 0.44527275150975454
Energy: 0.7509256032995776
Energy: 0.6194107830096114
Energy: 0.46547613127071796
Energy: 0.7508062773717674
Energy: 0.47075316692351044
Energy: 0.47631783741394584
Energy: 0.47212215528147916
Energy: 0.46912082810027633
Energy: 0.4747484333083898
Energy: 0.4782357350970046
Energy: 0.6072099833094062
Energy: 0.4640819398267588
Energy: 0.4672283002803646
Energy: 0.6072057125203525
Energy: 0.46957902298341786
Energy: 0.6063025811788947
Energy: 0.46931515709229144
Energy: 0.4777690566257209
Energy: 0.4739096686710424
Energy: 0.4681639908344233
Energy: 0.46589830145354777
Energy: 0.4688694318675366
Energy: 0.5611197545168524
Energy: 0.47533331025747705
Energy: 0.4474634818706196
Energy: 0.44916617385782376
Energy: 0.48720415533536826
Energy: 0.44825765838304715

minimum gb energy = 0.445233342559792 eV
minimum distance =  2.40453117937618 Angstroms
sigma value = 33


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

Energy: 0.6175388749016356
Energy: 0.5587325481536484
Energy: 0.967981031763927
Energy: 0.4979806517762881
Energy: 0.5547500504039915
Energy: 0.502351911888335
Energy: 0.5226042288568072
Energy: 0.5180952867831164
Energy: 0.5168399326222577
Energy: 0.5162810106929188
Energy: 0.5153245067328812
Energy: 0.5048057172578773
Energy: 0.5272774854441098
Energy: 0.5091160598072737
Energy: 0.5084292611789348
Energy: 0.5189742732765287
Energy: 0.5079360319320917
Energy: 0.5082155746974413
Energy: 0.5287523627652723
Energy: 0.5185623214818919
Energy: 0.5064696073714778
Energy: 0.5195824641643805
Energy: 0.5073808935067718
Energy: 0.5208691901157683
Energy: 0.5227252172651093
Energy: 0.5196139763734983
Energy: 0.49195224862949316
Energy: 0.5185173952018286
Energy: 0.5314974076764357
Energy: 0.49177188909092523
Energy: 0.6092705831517582
Energy: 0.5058121453507749
Energy: 0.5038105335404132
Energy: 0.5193998733366911
Energy: 0.5213791674136056
Energy: 0.50623620742855
Energy: 0.5547305413350024
Energy: 0.5166645902888956
Energy: 0.5186060236077095
Energy: 0.5155947703293807
Energy: 0.5307159569928794
Energy: 0.5048433544812214
Energy: 0.614965550300954
Energy: 0.7364586051452189
Energy: 0.4980322055871514
Energy: 0.491162941455918
Energy: 0.7387363118101995
Energy: 0.49930632804723296
Energy: 0.5545914067001065
Energy: 0.5067339288364091
Energy: 0.5073879825655974
Energy: 0.5357908158493182
Energy: 0.49093218403863326
Energy: 0.49340195806298487
Energy: 0.5566425772525372
Energy: 0.5102253632166671
Energy: 0.5098542456116879
Energy: 0.5223719056470999
Energy: 0.5066670148047426
Energy: 0.5092521849154839
Energy: 0.5561818380670596
Energy: 0.5071239329610515
Energy: 0.5063596941365667
Energy: 0.5166710484944005
Energy: 0.5324083048163702
Energy: 0.5048614232018654
Energy: 0.555259088570508
Energy: 0.5306039393023155
Energy: 0.48851203757982936
Energy: 0.5376087916136675
Energy: 0.5075876526952612
Energy: 0.4889658359661615
Energy: 0.5632278248156205
Energy: 0.48947256541655115
Energy: 0.4890266841393388
Energy: 0.5135961766894186
Energy: 0.49395724261025753
Energy: 0.48916340510115225
Energy: 0.5240150288786425
Energy: 0.517213031001469
Energy: 0.5042788628141549
Energy: 0.5168625672942088
Energy: 0.5309036853068368
Energy: 0.5039446628423235
Energy: 0.501177260236394
Energy: 0.5075263089158223
Energy: 0.5078139534378885
Energy: 0.5080720358833262
Energy: 0.5071924718122783
Energy: 0.5181186572991283
Energy: 0.522460517856809
Energy: 0.530544122193861
Energy: 0.5176812768311074
Energy: 0.5303707241588107
Energy: 0.5156279151819514
Energy: 0.5039074131361605
Energy: 0.6019849616662001
Energy: 0.5083037395476419
Energy: 0.5338675649938697
Energy: 0.5239617176500149
Energy: 0.5094301206981747
Energy: 0.5118511841843187
Energy: 0.5574650537484026
Energy: 0.49380998259565206
Energy: 0.49232614536792424
Energy: 0.5305179783127424
Energy: 0.5363602328527604
Energy: 0.49184285425332974
Energy: 0.5269952033718637
Energy: 0.495069439538617
Energy: 0.49040643029087766
Energy: 0.5078197242807727
Energy: 0.5350676113460927
Energy: 0.5171687458394879
Energy: 0.49395453092468605
Energy: 0.49076299068823787
Energy: 0.4911008177722311
Energy: 0.49427193627730637
Energy: 0.5347765698879504
Energy: 0.5064789346162846
Energy: 0.49035651724811774
Energy: 0.5175744025443265
Energy: 0.4930907996287101
Energy: 0.49106178338931156
Energy: 0.4939368577995219
Energy: 0.4920371338679488
Energy: 0.5317523990044353
Energy: 0.5094005400351824
Energy: 0.5093667404416066
Energy: 0.5076549938055298
Energy: 0.5108268883778494
Energy: 0.5101212058114059
Energy: 0.5227655521331197
Energy: 0.5169613630663382
Energy: 0.5156250558819789
Energy: 0.5035954519015242
Energy: 0.5290351848750189
Energy: 0.4932946767409262
Energy: 0.5532505329389141
Energy: 0.5182586836161399
Energy: 0.4893720409998602
Energy: 0.49993703704173414
Energy: 0.5201081728607863
Energy: 0.4890634364107856
Energy: 0.5530296296333933
Energy: 0.5294587341423402
Energy: 0.504277300689132
Energy: 0.5151367488800163
Energy: 0.5179826764401417
Energy: 0.5045705543606323
Energy: 0.5295073357389855
Energy: 0.5205528798391224
Energy: 0.5080069472016299
Energy: 0.5196923004486423
Energy: 0.5221456988519069
Energy: 0.5082297902848316
Energy: 0.5269753028793155
Energy: 0.5060159934683492
Energy: 0.5048239658708341
Energy: 0.5187644530681126
Energy: 0.5182514196928781
Energy: 0.5068925996658847
Energy: 0.5230797333436698
Energy: 0.506056868030531
Energy: 0.4917983538176751
Energy: 0.5172081630089618
Energy: 0.5286080136703344
Energy: 0.5039903418745139
Energy: 0.5339075644036618
Energy: 0.5063795720185356
Energy: 0.5068511865203364
Energy: 0.5356292513600167
Energy: 0.5077209594336387
Energy: 0.5088608254527812
Energy: 0.5543323705793523
Energy: 0.5080542027201912
Energy: 0.5105999139366991
Energy: 0.5152484769918433
Energy: 0.504947636459653
Energy: 0.5044608721739058
Energy: 0.6161820363176655
Energy: 0.5066118101374131
Energy: 0.49778446981381247
Energy: 0.4906409727028587
Energy: 0.5068920294194382
Energy: 0.49848869415287794
Energy: 0.5558049793584953
Energy: 0.5067063935844602
Energy: 0.5061264420143573
Energy: 0.5339165453766597
Energy: 0.49224617433947315
Energy: 0.49363940667994544
Energy: 0.5566523908273839
Energy: 0.5290553594724823
Energy: 0.507359340230622
Energy: 0.5192845291449733
Energy: 0.5229046419993392
Energy: 0.5065671818558415
Energy: 0.5563496915656131
Energy: 0.541005809922441
Energy: 0.5072742697019812
Energy: 0.5189397397744908
Energy: 0.5280272729237464
Energy: 0.5058607334064043
Energy: 0.5560284493029181
Energy: 0.5235762000721176
Energy: 0.48948866636131383
Energy: 0.5366741382587438
Energy: 0.5246544318797166
Energy: 0.4929257263592578
Energy: 0.5638768747902997
Energy: 0.4897023227975396
Energy: 0.48891859451949743
Energy: 0.5209833508548917
Energy: 0.4970095852645691
Energy: 0.4894822623980332
Energy: 0.5228160784815765
Energy: 0.5156949048708825
Energy: 0.5171054987978627
Energy: 0.5166779050865651
Energy: 0.5160202010611489
Energy: 0.5038911291540185
Energy: 0.5046836900653104
Energy: 0.5093833329292837
Energy: 0.5195865005975253
Energy: 0.5062608832853367
Energy: 0.5090073072794096
Energy: 0.5189076167038486
Energy: 0.5226979564213539
Energy: 0.5158088455882004
Energy: 0.5043264633373302
Energy: 0.5072279127383852
Energy: 0.5159704463507827
Energy: 0.5036009276929415
Energy: 0.6022207713883313
Energy: 0.518443982960256
Energy: 0.4928438371575235
Energy: 0.52106227446255
Energy: 0.5188512108015454
Energy: 0.5081074833622824
Energy: 0.5544566914685796
Energy: 0.4940590682853388
Energy: 0.49259097693182297
Energy: 0.5323217677957606
Energy: 0.5380024341416108
Energy: 0.492587445788824
Energy: 0.5244954914309121
Energy: 0.5171760603439088
Energy: 0.49112382889530753
Energy: 0.5077385152486054
Energy: 0.53408982631253
Energy: 0.5052712665332881
Energy: 0.5310298496462337
Energy: 0.49311667897749945
Energy: 0.4903521941922861
Energy: 0.5086864245501015
Energy: 0.49372168891586476
Energy: 0.49206665751630235
Energy: 0.48929202742018757
Energy: 0.5364338130892572
Energy: 0.5164042411313919
Energy: 0.49008019155909016
Energy: 0.5360277577846301
Energy: 0.5069881311155015
Energy: 0.7356510473931184
Energy: 0.509874741637703
Energy: 0.5153820654564915
Energy: 0.7365529594133707
Energy: 0.5112396136117181
Energy: 0.5179872643101591
Energy: 0.5226342611713821
Energy: 0.5177449539107564
Energy: 0.5058513467184867
Energy: 0.5305326865423748
Energy: 0.5284825349611442
Energy: 0.5195261632977045
Energy: 0.5556073988717781
Energy: 0.517906060317482
Energy: 0.48933045069657627
Energy: 0.49562068547857685
Energy: 0.516991510283209
Energy: 0.48937154920379966

minimum gb energy = 0.48851203757982936 eV
minimum distance =  2.41587174738028 Angstroms
sigma value = 67


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

Energy: 0.7443301211209351
Energy: 0.5839298574475693
Energy: 0.5319739672247005
Energy: 0.5327154883413644
Energy: 0.584109057802628
Energy: 0.5318563755132875
Energy: 0.5823972046229068
Energy: 0.5463981400502133
Energy: 0.5453719121274444
Energy: 0.5483454168267914
Energy: 0.5481616664583977
Energy: 0.5452783160151509
Energy: 0.5865049032746972
Energy: 0.5244289195359199
Energy: 0.549714492680074
Energy: 0.5468817960625285
Energy: 0.524257504081674
Energy: 0.5498021977643106
Energy: 0.586452729733415
Energy: 0.5454274398055577
Energy: 0.5441556041962493
Energy: 0.5466173782544528
Energy: 0.5458203170655852
Energy: 0.5441671340996943
Energy: 0.5776472411889062
Energy: 0.5484386229952339
Energy: 0.5482036303487827
Energy: 0.5759062330840418
Energy: 0.548171995971328
Energy: 0.5485351141850843
Energy: 0.5787666777757621
Energy: 0.5466534266932376
Energy: 0.5513970557667771
Energy: 0.5771089996817076
Energy: 0.543831245861969
Energy: 0.5521009261509143
Energy: 0.6292690094596407
Energy: 0.54686145889667
Energy: 0.5458228804770482
Energy: 0.5239259129926669
Energy: 0.550201949920128
Energy: 0.5457316627571663

minimum gb energy = 0.5239259129926669 eV
minimum distance =  2.44891939616285 Angstroms
sigma value = 3


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

Energy: 0.8472536031736255
Energy: 0.6937996525705976
Energy: 0.6711581972456767
Energy: 0.6720719801540791
Energy: 0.6931315561917144
Energy: 0.6653599634023133
Energy: 0.6576847946327046
Energy: 0.6527638791225611
Energy: 0.6490950993533507
Energy: 0.6536409767857817
Energy: 0.6591225335657872
Energy: 0.6353607728022382
Energy: 0.6574946677503983
Energy: 0.6443715640208608
Energy: 0.6441743486545914
Energy: 0.6572644058111043
Energy: 0.6432170607120633
Energy: 0.6657999126602528
Energy: 0.6416169415946267
Energy: 0.6529038587551023
Energy: 0.638338772917273
Energy: 0.6421880298046251
Energy: 0.6453181982245507
Energy: 0.6383800878047743
Energy: 0.64406611806433
Energy: 0.6440054853375896
Energy: 0.6428928036045116
Energy: 0.6443223456841844
Energy: 0.6446067437848704
Energy: 0.6497611749315741
Energy: 0.6391156391728902
Energy: 0.6416649034489821
Energy: 0.6415488371875164
Energy: 0.6394678587424925
Energy: 0.6446017090487162
Energy: 0.6532246935375321
Energy: 0.6358190334134681
Energy: 0.6428177770457864
Energy: 0.6478662301239714
Energy: 0.6332902781309111
Energy: 0.6449064341078419
Energy: 0.6446291051779415
Energy: 0.8136803064433457
Energy: 0.6475323987375692
Energy: 0.6571186003843011
Energy: 0.6735274559063672
Energy: 0.6717468212651572
Energy: 0.6566811674676396
Energy: 0.6367088310016965
Energy: 0.6428262071406233
Energy: 0.6466391928774593
Energy: 0.6359469126240537
Energy: 0.6406136611054346
Energy: 0.6557309517722677
Energy: 0.68685358096258
Energy: 0.6389018663946958
Energy: 0.6389287412380579
Energy: 0.6722372889392715
Energy: 0.6386603317378433
Energy: 0.6572389731330057
Energy: 0.6886092009738588
Energy: 0.6384269008900476
Energy: 0.6534310638751302
Energy: 0.6600717313182386
Energy: 0.6386531475901519
Energy: 0.6560393441258155
Energy: 0.6807879167191192
Energy: 0.6464170700990945
Energy: 0.6489193914317614
Energy: 0.6445494392472395
Energy: 0.6406832400300645
Energy: 0.651503411910488
Energy: 0.6645609576935716
Energy: 0.6480983327696815
Energy: 0.6496387259575455
Energy: 0.638702077378068
Energy: 0.6463585627851648
Energy: 0.6384632251313117
Energy: 0.6845112277078106
Energy: 0.637070883851999
Energy: 0.6403852038692945
Energy: 0.651280184864979
Energy: 0.6409459361474428
Energy: 0.6424332480189107
Energy: 0.6953015824491048
Energy: 0.6722306150285275
Energy: 0.6723857970218619
Energy: 0.6415352773023718
Energy: 0.6729229339824182
Energy: 0.6748966925061511
Energy: 0.6831660984589532
Energy: 0.6598988156540543
Energy: 0.6580900397212938
Energy: 0.6513461813044558
Energy: 0.6556247745405297
Energy: 0.6557669822441718
Energy: 0.7373732966086491
Energy: 0.6480438921024205
Energy: 0.6478565291233059
Energy: 0.6579639388246605
Energy: 0.6489024292898263
Energy: 0.6639000516727335
Energy: 0.645419737928028
Energy: 0.6488984705421188
Energy: 0.6432119784429472
Energy: 0.6437303975831007
Energy: 0.63763879071154
Energy: 0.6661504639593411
Energy: 0.7348665869216016
Energy: 0.6732258654545823
Energy: 0.6389575764123163
Energy: 0.6643130186992404
Energy: 0.6608985912360333
Energy: 0.6390256394406307
Energy: 0.71776112258679
Energy: 0.6430951992193904
Energy: 0.6430749599959317
Energy: 0.6380096398753736
Energy: 0.6426329823462671
Energy: 0.6402327865530768
Energy: 0.6588016929896706
Energy: 0.6451487437520796
Energy: 0.6458265643620055
Energy: 0.6427915433019593
Energy: 0.645445451839803
Energy: 0.6466485344583585
Energy: 0.6501755413526241
Energy: 0.6475167669208863
Energy: 0.6459604551287796
Energy: 0.6435857863468831
Energy: 0.6483895352858834
Energy: 0.6416964404887484
Energy: 0.6470440380733617
Energy: 0.6422179212334594
Energy: 0.642591512760191
Energy: 0.6471161864453189
Energy: 0.6289956241044109
Energy: 0.6412955258505043
Energy: 0.6717098541611133
Energy: 0.6682875762246263
Energy: 0.6681572011013879
Energy: 0.6467755418054328
Energy: 0.6633239099939865
Energy: 0.6423291364802944
Energy: 0.6425949212731769
Energy: 0.6369510875859746
Energy: 0.6363700981464507
Energy: 0.6468444976502168
Energy: 0.6491979600178583
Energy: 0.6397768398485206
Energy: 0.759183259191029
Energy: 0.6557553488538732
Energy: 0.6422793732981822
Energy: 0.6455246193363267
Energy: 0.6575908392995439
Energy: 0.6400717350077325
Energy: 0.6266223686784896
Energy: 0.6460303609838272
Energy: 0.6402596062113304
Energy: 0.6463300110556544
Energy: 0.669751970256461
Energy: 0.6403424134258284
Energy: 0.6445851978081836
Energy: 0.6381834215868329
Energy: 0.6402562083386469
Energy: 0.6460882623593542
Energy: 0.6373974087654536
Energy: 0.640555610887464
Energy: 0.6573194088441222
Energy: 0.6454102610742303
Energy: 0.6449102698450789
Energy: 0.6568644128881956
Energy: 0.6481136048472526
Energy: 0.6421690536060095
Energy: 0.6385823357585705
Energy: 0.6485993580915221
Energy: 0.641682901851252
Energy: 0.6394693088622121
Energy: 0.6477850631013219
Energy: 0.6413052250165601
Energy: 0.6918482899154824
Energy: 0.6676404621152988
Energy: 0.6675496158490359
Energy: 0.6460589074921804
Energy: 0.6526200079769314
Energy: 0.6461364700287331
Energy: 0.6481478335584405
Energy: 0.6459076605679781
Energy: 0.6530597426799485
Energy: 0.6480545283341328
Energy: 0.6460574952488648
Energy: 0.6507835873096305
Energy: 0.7457315481772818
Energy: 0.6549806455772322
Energy: 0.6652414260990346
Energy: 0.6412257112192006
Energy: 0.6518642206350598
Energy: 0.6466996581844049
Energy: 0.656287490475953
Energy: 0.6471939713816011
Energy: 0.6495143192843235
Energy: 0.6544422324873979
Energy: 0.6333669330550517
Energy: 0.6494645564226098
Energy: 0.6521455731241649
Energy: 0.6606546308049907
Energy: 0.6608674935065169
Energy: 0.6362579931038249
Energy: 0.6578464961816513
Energy: 0.6530239997390502
Energy: 0.6785697574443307
Energy: 0.6388131292451522
Energy: 0.6388819293816602
Energy: 0.672899852623526
Energy: 0.6458824165606059
Energy: 0.6569109786545178
Energy: 0.6910946332685362
Energy: 0.6434184605622009
Energy: 0.6470427374929464
Energy: 0.6582658165098498
Energy: 0.6378200325525453
Energy: 0.649515412019848
Energy: 0.6661499765043863
Energy: 0.6820667800575119
Energy: 0.6408713253473862
Energy: 0.6364368837433263
Energy: 0.6428352713175124
Energy: 0.6755778399697591
Energy: 0.6870398655657464
Energy: 0.6379270748760001
Energy: 0.6452619667198576
Energy: 0.650090593470271
Energy: 0.6351320758536996
Energy: 0.649560447366858
Energy: 0.6945750530202262
Energy: 0.6360268547309431
Energy: 0.6361864340547095
Energy: 0.6413981020422259
Energy: 0.6358943844158061
Energy: 0.6368446734988484
Energy: 0.6476101401733139
Energy: 0.6654764215605039
Energy: 0.6341687048098513
Energy: 0.6549213773167676
Energy: 0.6684039087607148
Energy: 0.6345824975455131
Energy: 0.7378836657826128
Energy: 0.6425210557709271
Energy: 0.64299675671704
Energy: 0.6618799491563546
Energy: 0.6563237436606131
Energy: 0.641932812627876
Energy: 0.7804015706171737
Energy: 0.6469598143526747
Energy: 0.6464881167360589
Energy: 0.6898839648911467
Energy: 0.6473896280600202
Energy: 0.6686991192063496
Energy: 0.6378877327332262
Energy: 0.6618705231041162
Energy: 0.6566280949219973
Energy: 0.6324921964091004
Energy: 0.6641948967463268
Energy: 0.6558345663539954
Energy: 0.7856522354375591
Energy: 0.6709047567398155
Energy: 0.6733932913072951
Energy: 0.6733414006032679
Energy: 0.6742701418547563
Energy: 0.6731687788014905
Energy: 0.6421041854922459
Energy: 0.6369572404135512
Energy: 0.6367953854932799
Energy: 0.6392919673489705
Energy: 0.6407240847840768
Energy: 0.637836818770063
Energy: 0.6422113716784631
Energy: 0.6420407336772671
Energy: 0.6530780559402666
Energy: 0.6439324793551461
Energy: 0.6421301080118715
Energy: 0.6503980831686624
Energy: 0.6497078107247467
Energy: 0.6445379797099186
Energy: 0.6434876690650434
Energy: 0.6474550719911355
Energy: 0.6429484545340718
Energy: 0.6453303287473002
Energy: 0.6526817664298333
Energy: 0.6398684551220784
Energy: 0.639089022603481
Energy: 0.6527556727294905
Energy: 0.634802320258704
Energy: 0.6386293595715776
Energy: 0.6609119584650464
Energy: 0.6358464298147102
Energy: 0.6361609789358315
Energy: 0.6602689786939402
Energy: 0.6353296969314937
Energy: 0.6374271657982726
Energy: 0.648437892053244
Energy: 0.6549522057687
Energy: 0.6563049642126263
Energy: 0.6447903172257071
Energy: 0.6553055621969484
Energy: 0.6402871811263194

minimum gb energy = 0.6266223686784896 eV
minimum distance =  2.37599912544643 Angstroms
sigma value = 81


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

Energy: 1.0982904338111348
Energy: 0.6459363609727143
Energy: 0.6284913527086277
Energy: 0.6210625152000125
Energy: 0.6465287337141057
Energy: 0.6264970621053259
Energy: 0.6339950983354707
Energy: 0.631026373286353
Energy: 0.6343725485761073
Energy: 0.636678525723662
Energy: 0.6333530189042288
Energy: 0.6358613426205639
Energy: 0.6602141188063768
Energy: 0.6215565039515246
Energy: 0.6240926233172369
Energy: 0.6668128306338142
Energy: 0.6237683731819509
Energy: 0.6472876208969596
Energy: 0.6353643765127752
Energy: 0.6210886372699455
Energy: 0.6333780404585347
Energy: 0.6354557195234758
Energy: 0.6229266153210476
Energy: 0.6370234216868509
Energy: 0.6369817590968098
Energy: 0.6342521913766479
Energy: 0.634462074823978
Energy: 0.6347118935072351
Energy: 0.633401239193642
Energy: 0.6343671007664848
Energy: 0.6462795237446116
Energy: 0.6339591957973545
Energy: 0.6348591971906545
Energy: 0.6431552312576312
Energy: 0.6333231988435909
Energy: 0.6350410940262565
Energy: 0.6336090385272288
Energy: 0.625849403339659
Energy: 0.6313403634915554
Energy: 0.6632872071710261
Energy: 0.6207005240469732
Energy: 0.6285819679361462
Energy: 0.746280227052511
Energy: 0.6844495046483197
Energy: 0.6659256181948452
Energy: 0.6587706819472854
Energy: 0.6971211117981303
Energy: 0.6581104688020154
Energy: 0.6234914056309729
Energy: 0.626906678805032
Energy: 0.6329456984671735
Energy: 0.6513703786504972
Energy: 0.619259128923708
Energy: 0.6295197850910202
Energy: 0.6508444742648062
Energy: 0.5964294348450243
Energy: 0.5958620337810977
Energy: 0.6556623299014107
Energy: 0.5972115362360738
Energy: 0.5956034909223945
Energy: 0.6274537078747745
Energy: 0.6016849032120786
Energy: 0.5975847076924244
Energy: 0.6311902469487842
Energy: 0.6065017700401841
Energy: 0.625270408219038
Energy: 0.6228168513850068
Energy: 0.6275591147368786
Energy: 0.6261027016854854
Energy: 0.6211968924258542
Energy: 0.6171638114279852
Energy: 0.6307269823908798
Energy: 0.623831149437434
Energy: 0.6207721904200613
Energy: 0.627129197348874
Energy: 0.6242529881311684
Energy: 0.6399672936567212
Energy: 0.6280721330161553
Energy: 0.6432791781688246
Energy: 0.6353055315023485
Energy: 0.6334610648673354
Energy: 0.6346841854884723
Energy: 0.6359758540684582
Energy: 0.6343298964605196
Energy: 0.7655419290521217
Energy: 0.6896416048827421
Energy: 0.6871295644947101
Energy: 0.6393535678311447
Energy: 0.6817971165150434
Energy: 0.6371534815767281
Energy: 0.6517568078051135
Energy: 0.6347421368244874
Energy: 0.634090002542685
Energy: 0.6468356711437224
Energy: 0.6356966268236693
Energy: 0.6346908794444733
Energy: 0.7292473325925088
Energy: 0.6218985803623777
Energy: 0.6386476214858504
Energy: 0.6613376399293917
Energy: 0.6199410806714787
Energy: 0.6414261248138715
Energy: 0.6252855967233316
Energy: 0.6356438424372808
Energy: 0.6384971445664973
Energy: 0.62276388920551
Energy: 0.6281945828492046
Energy: 0.6370929050824566
Energy: 0.7010878190713857
Energy: 0.6282288024897844
Energy: 0.5950273508292461
Energy: 0.5952934965446691
Energy: 0.6352180374693451
Energy: 0.5946653618860589
Energy: 0.702313501272319
Energy: 0.6284919029164897
Energy: 0.5953612792274159
Energy: 0.5933130084823691
Energy: 0.6344579597573747
Energy: 0.5950409836409616
Energy: 0.6253475410547252
Energy: 0.6298321391956697
Energy: 0.638534947584245
Energy: 0.6231410182742253
Energy: 0.6280839820554439
Energy: 0.6275057798033409
Energy: 0.6393421281577163
Energy: 0.6363583753939824
Energy: 0.632559731249746
Energy: 0.6552459213206694
Energy: 0.6302473959059327
Energy: 0.6328479232712768
Energy: 0.6471117008236714
Energy: 0.6353155985008038
Energy: 0.6356818013364125
Energy: 0.6478172308881243
Energy: 0.6345821708251821
Energy: 0.6339660907527169
Energy: 0.6481991657526398
Energy: 0.6365016587902095
Energy: 0.6411546019884073
Energy: 0.6386531484638439
Energy: 0.6373148082489698
Energy: 0.6409964940510251
Energy: 0.6431517289386148
Energy: 0.6346371623604105
Energy: 0.6340664915395556
Energy: 0.6661091781989888
Energy: 0.6361029671388041
Energy: 0.634117327119412
Energy: 0.7002370616441502
Energy: 0.6651355513843635
Energy: 0.6637554857891583
Energy: 0.6156170936357627
Energy: 0.6609527693653452
Energy: 0.6643449307010288
Energy: 0.7048421429873192
Energy: 0.6270101538355946
Energy: 0.6256610017977738
Energy: 0.6140494425523574
Energy: 0.6265749312856183
Energy: 0.6321161301715622
Energy: 0.6260387621736118
Energy: 0.5968969827020604
Energy: 0.623964174576462
Energy: 0.6262474576332273
Energy: 0.6069961798252796
Energy: 0.6235769249224814
Energy: 0.6453774615067814
Energy: 0.5967766539321605
Energy: 0.5966620373729825
Energy: 0.6432270479964857
Energy: 0.5977724773985521
Energy: 0.626947282590692
Energy: 0.6261990327265647
Energy: 0.6250455479617851
Energy: 0.6306985123833727
Energy: 0.6273088500311345
Energy: 0.6233461630528939
Energy: 0.627931340806909
Energy: 0.6242481275169895
Energy: 0.6443839808456758
Energy: 0.6187915554326934
Energy: 0.6248940090863483
Energy: 0.6577775912057493
Energy: 0.6225628849067016
Energy: 0.6371229108633065
Energy: 0.6179154426702946
Energy: 0.6263080806107871
Energy: 0.6308919106184082
Energy: 0.6185516936034149
Energy: 0.6293123208193435
Energy: 0.7092942034587593
Energy: 0.6328965664958723
Energy: 0.6326909255233958
Energy: 0.6387136768415633
Energy: 0.6345099718240389
Energy: 0.6348932952484285
Energy: 0.6396367660584522
Energy: 0.6361080962599215
Energy: 0.6361322494264724
Energy: 0.6643140940477906
Energy: 0.6223084483444024
Energy: 0.6360561502709479
Energy: 0.641178323309883
Energy: 0.6337711570813302
Energy: 0.6376601172420745
Energy: 0.6406100511929619
Energy: 0.6146288111631123
Energy: 0.6385330560010305
Energy: 0.7285600501885672
Energy: 0.6195140121760156
Energy: 0.6199354959531803
Energy: 0.692897055776531
Energy: 0.6188735232907523
Energy: 0.6518715326848812
Energy: 0.634117229089161
Energy: 0.6254158242460649
Energy: 0.6320552983311349
Energy: 0.6364111533501101
Energy: 0.6197066391122069
Energy: 0.6364981337726593
Energy: 0.8064603980133309
Energy: 0.6565414481837762
Energy: 0.6254655558812442
Energy: 0.6176792638567865
Energy: 0.6588171827955744
Energy: 0.6219750820092104

minimum gb energy = 0.5933130084823691 eV
minimum distance =  2.39753387155878 Angstroms
sigma value = 43


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

Energy: 0.879913148046354
Energy: 0.6553118102338297
Energy: 0.6267590275048069
Energy: 0.6337893859816155
Energy: 0.6566228530498593
Energy: 0.633764879713168
Energy: 0.623107846816478
Energy: 0.6320834446126482
Energy: 0.6226603452297936
Energy: 0.6477664183923059
Energy: 0.619342239393558
Energy: 0.6259312746120872
Energy: 0.6232770114717033
Energy: 0.6285091657629949
Energy: 0.6125177719276174
Energy: 0.6232400690375287
Energy: 0.6125095300481251
Energy: 0.6231704860221186
Energy: 0.6225052396867428
Energy: 0.6291335975866224
Energy: 0.6235085261521646
Energy: 0.6223479326395986
Energy: 0.6125335277162184
Energy: 0.6227583357761688
Energy: 0.6259210146421119
Energy: 0.6288252950169265
Energy: 0.6272099064281041
Energy: 0.6242976204512751
Energy: 0.6237801575976071
Energy: 0.6249865924453597
Energy: 0.6244179597995315
Energy: 0.6245251281179331
Energy: 0.6256274457733627
Energy: 0.623552333460887
Energy: 0.6268834724425077
Energy: 0.6263717573505125
Energy: 0.6255999814845417
Energy: 0.6225834369918279
Energy: 0.6222769274960219
Energy: 0.6244921229136345
Energy: 0.6235336451003033
Energy: 0.6238057128376571
Energy: 0.6936239898449988
Energy: 0.6232380443386216
Energy: 0.6232559933865818
Energy: 0.6164354187853468
Energy: 0.623365643646925
Energy: 0.6932577574278641
Energy: 0.6203645936423918
Energy: 0.6244845376026693
Energy: 0.6238352833591942
Energy: 0.6207617899528416
Energy: 0.6247211163685734
Energy: 0.6233626830072859
Energy: 0.618336287629424
Energy: 0.6236067634789804
Energy: 0.6236881534220564
Energy: 0.6254582445904773
Energy: 0.6233088713789717
Energy: 0.6237970963531199
Energy: 0.6186334958568626
Energy: 0.6302694327983224
Energy: 0.617188052721068
Energy: 0.6183050401998407
Energy: 0.626944839289918
Energy: 0.6214526664921112
Energy: 0.6275602817770066
Energy: 0.6236941194753736
Energy: 0.6236422646204595
Energy: 0.6190952424308459
Energy: 0.6574258997068249
Energy: 0.6320816055114041
Energy: 0.7165880619315104
Energy: 0.6233564807803007
Energy: 0.6306712106943525
Energy: 0.6133770796477462
Energy: 0.6233945996049989
Energy: 0.6307004263464059
Energy: 0.6192365023856611
Energy: 0.6325823532151646
Energy: 0.634851611859733
Energy: 0.6184010440356686
Energy: 0.6251651057393597
Energy: 0.6228901658651042
Energy: 0.6184649928766096
Energy: 0.617189922739125
Energy: 0.6172838131769055
Energy: 0.6232381211736266
Energy: 0.6105109256214651
Energy: 0.6224479183726597
Energy: 0.6180065797574006
Energy: 0.632517349910936
Energy: 0.6272082602850461
Energy: 0.6177191589002308
Energy: 0.634760630116373
Energy: 0.6223868950750253
Energy: 0.6188643806378668
Energy: 0.6182429230737728
Energy: 0.6306048595211684
Energy: 0.6189144774029024
Energy: 0.6213267091359622
Energy: 0.6188248708289379
Energy: 0.6183953473918954
Energy: 0.6235096446045414
Energy: 0.6176802111394021
Energy: 0.6361923065267266
Energy: 0.6443862956286903
Energy: 0.6182267130759114
Energy: 0.618966865865187
Energy: 0.6181633756268561
Energy: 0.6180741212950682
Energy: 0.6247520213992445
Energy: 0.6192430907787781
Energy: 0.6235663595864229
Energy: 0.6934845240641805
Energy: 0.618103667970635
Energy: 0.6185835706900996
Energy: 0.624079972845801
Energy: 0.6358511866678137
Energy: 0.6320724736822689
Energy: 0.6177403976207854
Energy: 0.6245411124118007
Energy: 0.6193932821382775
Energy: 0.6352692316164062
Energy: 0.6249804136941961
Energy: 0.6183177390422516
Energy: 0.6974429292532554
Energy: 0.6662927935294573
Energy: 0.6618341865005999
Energy: 0.6345596123765547
Energy: 0.6123422711456571
Energy: 0.6620205130631145
Energy: 0.6325614649495138
Energy: 0.6245771190608275
Energy: 0.6246047819781062
Energy: 0.6273610067733709
Energy: 0.6396932049620758
Energy: 0.6430237828716596
Energy: 0.6736783732946033
Energy: 0.6545091611483942
Energy: 0.6179551943030442
Energy: 0.6198198629123239
Energy: 0.7080366065564437
Energy: 0.618664492461861
Energy: 0.63733833274075
Energy: 0.6175872271554059
Energy: 0.6179881052205926
Energy: 0.6308640465739561
Energy: 0.6176615318767458
Energy: 0.6233461622647243
Energy: 0.6605157090569419
Energy: 0.6240244132960614
Energy: 0.6230963918043114
Energy: 0.6185030960426313
Energy: 0.6192337681527688
Energy: 0.6180578084046332
Energy: 0.6598341420784233
Energy: 0.6248480858239202
Energy: 0.6228913022193473
Energy: 0.6332609242251578
Energy: 0.6272476204384229
Energy: 0.6224346280888025
Energy: 0.6503237767135359
Energy: 0.631376250286024
Energy: 0.6328162666255432
Energy: 0.6235214827588307
Energy: 0.6238880426446196
Energy: 0.6235695025645254
Energy: 0.6267572395272324
Energy: 0.6229180822438047
Energy: 0.6225661329735266
Energy: 0.6268047018951993
Energy: 0.6156584602232851
Energy: 0.6687160264938213
Energy: 0.621783172313663
Energy: 0.6242524113597778
Energy: 0.6342127746758577
Energy: 0.6480023172495508
Energy: 0.6188773527102891
Energy: 0.6252840756355666
Energy: 0.8234625969388347
Energy: 0.6459818240618695
Energy: 0.6136605672848507
Energy: 0.6319977986945651
Energy: 0.6168918769105696
Energy: 0.6136663173321669

minimum gb energy = 0.6105109256214651 eV
minimum distance =  2.38184010640997 Angstroms
sigma value = 57


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

Energy: 0.7034078478804755
Energy: 0.6740284462235855
Energy: 0.6248097963876532
Energy: 0.6554772231735022
Energy: 0.6740135887812112
Energy: 0.6246741440651907
Energy: 0.6449546107285358
Energy: 0.6383835847915691
Energy: 0.6325664703872032
Energy: 0.6445880345539702
Energy: 0.6589273008030052
Energy: 0.6458008182557392
Energy: 0.6503380893057045
Energy: 0.6157504908506015
Energy: 0.6155779822995171
Energy: 0.6404139235444121
Energy: 0.61795850687739
Energy: 0.6160655863283522
Energy: 0.6458864036461212
Energy: 0.6157636144051832
Energy: 0.6167260433493623
Energy: 0.6369017585618213
Energy: 0.6144691294420489
Energy: 0.6345913748838163
Energy: 0.647627395794152
Energy: 0.6352160044996668
Energy: 0.6344466907393628
Energy: 0.6354219667812864
Energy: 0.6338657637211824
Energy: 0.6291960272777978
Energy: 0.6143156384151496
Energy: 0.6320725194223343
Energy: 0.6318448772063969
Energy: 0.627734827249983
Energy: 0.6328533049402952
Energy: 0.6300380880002459
Energy: 0.5956349745856726
Energy: 0.6519049739916077
Energy: 0.6487537369975142
Energy: 0.5873834140870354
Energy: 0.6575995207796921
Energy: 0.6464476555169889
Energy: 0.6420569560259869
Energy: 0.6683255394860466
Energy: 0.6682026779356826
Energy: 0.6260721910181367
Energy: 0.6685615294842919
Energy: 0.6643770495083352
Energy: 0.5956446762134884
Energy: 0.6445429582554167
Energy: 0.6488025636013125
Energy: 0.5865943602155699
Energy: 0.645701865535908
Energy: 0.5900200923869479
Energy: 0.6051588354316741
Energy: 0.6298659068359164
Energy: 0.6452724293977928
Energy: 0.5870933703007751
Energy: 0.6292482839186888
Energy: 0.6404494732162649
Energy: 0.585936787836773
Energy: 0.6447869321319886
Energy: 0.5842823669298557
Energy: 0.5845335171635457
Energy: 0.6292145028043059
Energy: 0.5840026203649233
Energy: 0.5831599702660688
Energy: 0.6475937858004289
Energy: 0.5961222263291074
Energy: 0.5850959700951042
Energy: 0.649272355508827
Energy: 0.5944734212304384
Energy: 0.5846092983955039
Energy: 0.6446295144650601
Energy: 0.6436711851096474
Energy: 0.593821314314087
Energy: 0.6455627002965955
Energy: 0.6420632903422154
Energy: 0.5829916767106813
Energy: 0.5933850811654842
Energy: 0.5910266625699584
Energy: 0.5850126323917032
Energy: 0.5981544507361629
Energy: 0.5866903435758879
Energy: 0.5874964607450895
Energy: 0.6090656439387759
Energy: 0.6122764008865562
Energy: 0.6162939295658632
Energy: 0.6092214679319762
Energy: 0.6409459909775425
Energy: 0.5999152961408195
Energy: 0.5849507687987812
Energy: 0.5834951595483214
Energy: 0.5842085320978861
Energy: 0.5952736434159673
Energy: 0.5836527104778468
Energy: 0.5988917990671413
Energy: 0.6405551500263928
Energy: 0.6414173661094417
Energy: 0.5851800141905882
Energy: 0.6468606321659709
Energy: 0.6420978253233854
Energy: 0.5987643757658541
Energy: 0.6401242498032779
Energy: 0.6413682989823102
Energy: 0.6400425467206303
Energy: 0.6445117064291338
Energy: 0.642262945612576
Energy: 0.686195597169853
Energy: 0.6503768697335335
Energy: 0.6332980391860966
Energy: 0.6344089632737568
Energy: 0.652698381583017
Energy: 0.6330704789658971
Energy: 0.6576062046425182
Energy: 0.6506635286156163
Energy: 0.6331115292844635
Energy: 0.632798033227681
Energy: 0.6504183195058907
Energy: 0.6327695678834386
Energy: 0.6524746239778275
Energy: 0.6338075404764262
Energy: 0.6357519968844341
Energy: 0.641244574123279
Energy: 0.64211515872563
Energy: 0.6352083552183112
Energy: 0.7578268570460656
Energy: 0.6650657191547787
Energy: 0.6342190057312845
Energy: 0.6771643165391089
Energy: 0.6365563645254311
Energy: 0.63365098411014
Energy: 0.6448445408565338
Energy: 0.6382519985448574
Energy: 0.6374892027156248
Energy: 0.6417278701636157
Energy: 0.6404889890941076
Energy: 0.6414166051603254
Energy: 0.6093921318962552
Energy: 0.652281870194081
Energy: 0.6398353746599975
Energy: 0.625203231042626
Energy: 0.6549236970693304
Energy: 0.6369345910660741

minimum gb energy = 0.5829916767106813 eV
minimum distance =  2.33663303145824 Angstroms
sigma value = 17


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

Energy: 0.9273077945622945
Energy: 0.9540630192103143
Energy: 0.7253904806965066
Energy: 0.5802422006924741
Energy: 0.631548387318754
Energy: 0.5845915440663204
Energy: 0.7067654331532855
Energy: 0.6447329771822577
Energy: 0.6143298828160807
Energy: 0.6542155630036021
Energy: 0.6551708370042229
Energy: 0.6083771381678336
Energy: 0.6289848795968325
Energy: 0.5892743412677844
Energy: 0.5899753898853246
Energy: 0.638701447834103
Energy: 0.5892382269312313
Energy: 0.5827427241602116
Energy: 0.6435458849147545
Energy: 0.5858924485416029
Energy: 0.5827985033211472
Energy: 0.6440053467471718
Energy: 0.5799948942153504
Energy: 0.6090714289588303
Energy: 0.5745982405423131
Energy: 0.5785342693233636
Energy: 0.5767627432549192
Energy: 0.5748660502927583
Energy: 0.5779736941316748
Energy: 0.5767344747020863
Energy: 0.5905879831436696
Energy: 0.5767368189937235
Energy: 0.5764652305688381
Energy: 0.5832118211793341
Energy: 0.5676837131865998
Energy: 0.5571532188152815
Energy: 0.566022311726877
Energy: 0.5663959820740447
Energy: 0.5656224287667408
Energy: 0.5761443330801825
Energy: 0.5697982135310546
Energy: 0.5651634485197051
Energy: 0.5808866618546255
Energy: 0.5593175012865952
Energy: 0.5592198412551148
Energy: 0.5583490911277873
Energy: 0.5611339420179595
Energy: 0.5972694232608705
Energy: 0.5686537507673347
Energy: 0.5594363260887202
Energy: 0.5590539778729436
Energy: 0.5697947780399647
Energy: 0.5584884167668894
Energy: 0.5653132178334943
Energy: 0.5671717205736085
Energy: 0.5762713360102618
Energy: 0.5765689369483475
Energy: 0.5665209827446326
Energy: 0.5766999458366364
Energy: 0.5778823288540215
Energy: 0.5794647919970888
Energy: 0.5762905094908811
Energy: 0.5767902691050368
Energy: 0.5778684255909025
Energy: 0.6127202230815221
Energy: 0.5767956446038052
Energy: 0.5719675086737573
Energy: 0.6416474177926994
Energy: 0.6409969497460584
Energy: 0.5625599202496917
Energy: 0.6413470382049696
Energy: 0.6089650278365589
Energy: 0.6417073082546899
Energy: 0.6378259066944875
Energy: 0.6423663996909977
Energy: 0.5762135827532406
Energy: 0.6371703383625049
Energy: 0.6434440459671782
Energy: 0.5709018172680783
Energy: 0.6455386942714155
Energy: 0.6081042522903445
Energy: 0.5678436738068389
Energy: 0.6554406249031683
Energy: 0.6070830824229401
Energy: 0.6310672394987239
Energy: 0.6407071307004791
Energy: 0.6091275367881724
Energy: 0.6327379287691168
Energy: 0.6357283168508044
Energy: 0.6093731381922513
Energy: 0.5914521195769059
Energy: 0.6561205220986714
Energy: 0.6095896123879903
Energy: 0.6559506923520604
Energy: 0.652103672522578
Energy: 0.6448218826355994
Energy: 0.6326874066020931
Energy: 0.632515837372422
Energy: 0.6766254244494262
Energy: 0.580457398277576
Energy: 0.6332951407910719
Energy: 0.5892348749611852

minimum gb energy = 0.5571532188152815 eV
minimum distance =  2.42344877771958 Angstroms
sigma value = 17


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

Energy: 0.9816004018258698
Energy: 0.6134521364825288
Energy: 0.5985193916160964
Energy: 0.59753568191217
Energy: 0.9012106649392319
Energy: 0.599526942162078
Energy: 0.6750772624630509
Energy: 0.5590147349068229
Energy: 0.5548987946476656
Energy: 0.6184344342999798
Energy: 0.5664244650966829
Energy: 0.5930562780903491
Energy: 0.7336457214386268
Energy: 0.5301162184830434
Energy: 0.5757238151099691
Energy: 0.6401492175586672
Energy: 0.5466190655004582
Energy: 0.5787045215291451
Energy: 0.5656047033613237
Energy: 0.5774567317288544
Energy: 0.577768178362903
Energy: 0.5739886081612263
Energy: 0.5374137833322272
Energy: 0.5771601883873239
Energy: 0.5595273619891702
Energy: 0.5578480184822853
Energy: 0.555605958456761
Energy: 0.5601608580591936
Energy: 0.5563831322794018
Energy: 0.5501255651233036
Energy: 0.574571661955369
Energy: 0.5570259156736495
Energy: 0.529890894422918
Energy: 0.5290682780749534
Energy: 0.5513777757110695
Energy: 0.5289370898516533
Energy: 0.5157007855711195
Energy: 0.5507260987201117
Energy: 0.5506499323229562
Energy: 0.5213900751473112
Energy: 0.5544519305406835
Energy: 0.5218537666866327
Energy: 0.5170974794197111
Energy: 0.5119713853225932
Energy: 0.522004405870259
Energy: 0.5219273000387153
Energy: 0.5120288098533552
Energy: 0.521456509459974
Energy: 0.5160537258309457
Energy: 0.5239464189752576
Energy: 0.5232529441021595
Energy: 0.5169181796568999
Energy: 0.5189634645861371
Energy: 0.5163675464154921
Energy: 0.5156744959275997
Energy: 0.5107553783701283
Energy: 0.5112831480097234
Energy: 0.5154835608919552
Energy: 0.5126455384673418
Energy: 0.5115304424460737
Energy: 0.5162915330155393
Energy: 0.5114253072448685
Energy: 0.5113860167437397
Energy: 0.511483470108049
Energy: 0.5152941541546906
Energy: 0.5108406522097886
Energy: 0.5647108191252442
Energy: 0.5163687308560109
Energy: 0.5162197836282163
Energy: 0.5250110758509755
Energy: 0.5189738919750164
Energy: 0.5242022212932803
Energy: 0.5264903910862381
Energy: 0.5511942969254794
Energy: 0.5220277003396291
Energy: 0.5248700117687093
Energy: 0.5225713108215367
Energy: 0.522365574765546
Energy: 0.5542010381134429
Energy: 0.5299630162331713
Energy: 0.5219006635428098
Energy: 0.5552621530578382
Energy: 0.5207443071336717
Energy: 0.5506063354104221
Energy: 0.5518107692286174
Energy: 0.5219728741725453
Energy: 0.5243719897802079
Energy: 0.5518423437051638
Energy: 0.5229408638288133
Energy: 0.5557585993228136
Energy: 0.6237822156630908
Energy: 0.5529076281804336
Energy: 0.5589091584100251
Energy: 0.5608073548241025
Energy: 0.5598129249143131
Energy: 0.5588836595931983
Energy: 0.5161213085110353
Energy: 0.6356191080127359
Energy: 0.6220682352627034
Energy: 0.5186787753097756
Energy: 0.6391544790489035
Energy: 0.5569589038621204
Energy: 0.5169854925505586
Energy: 0.63352189454232
Energy: 0.6197653708825202
Energy: 0.5562974206551645
Energy: 0.6394657882855979
Energy: 0.5572299361331262
Energy: 0.5554605103437936
Energy: 0.6189764353950681
Energy: 0.5945685914359221
Energy: 0.5754590434294072
Energy: 0.5645294712186469
Energy: 0.5569176505865601
Energy: 0.7410252492527793
Energy: 0.5569551326334411
Energy: 0.557501693383002
Energy: 0.6350867849679567
Energy: 0.550891049471847
Energy: 0.6162880382862241
Energy: 0.6850537665094231
Energy: 0.6167743809398814
Energy: 0.6340253549652357
Energy: 0.6352024505106089
Energy: 0.621962133175849
Energy: 0.6174211496254568
Energy: 0.5230568051942821
Energy: 0.6220945560657468
Energy: 0.6595419270679993
Energy: 0.5770945606291807
Energy: 0.6211203339789017
Energy: 0.5783680124364416
Energy: 0.5253891984588115
Energy: 0.6371897683936129
Energy: 0.6445278018390798
Energy: 0.5268951844548733
Energy: 0.6371568114965642
Energy: 0.6511539338300927
Energy: 0.7354901999569171
Energy: 0.5658457487533561
Energy: 0.6057171039415611
Energy: 0.6362214397061702
Energy: 0.525017983679625
Energy: 0.6170753015582231
Energy: 0.6338221415746648
Energy: 0.5244997987080282
Energy: 0.5762867787604822
Energy: 0.635542675461866
Energy: 0.5286819100512048
Energy: 0.5767206474820074
Energy: 0.5600086647319297
Energy: 0.5644988135579324
Energy: 0.5597591777703658
Energy: 0.5610640599455388
Energy: 0.5613481990724591
Energy: 0.5611390245716323
Energy: 0.5794714830233851
Energy: 0.5962802124925928
Energy: 0.5747889981096433
Energy: 0.5237972495537389
Energy: 0.5534243527501199
Energy: 0.5227241788477935
Energy: 0.5125683208570263
Energy: 0.5554604474242905
Energy: 0.5518286503817266
Energy: 0.5128502989174137
Energy: 0.55223833526728
Energy: 0.5509688528624216
Energy: 0.5168823556401391
Energy: 0.5199727947992
Energy: 0.519589906648261
Energy: 0.5239321433696165
Energy: 0.5530364765378302
Energy: 0.5194748182737111
Energy: 0.5239183851820444
Energy: 0.5111232378708822
Energy: 0.5216676183139819
Energy: 0.5160824625735927
Energy: 0.5112222232913856
Energy: 0.5215296022265465
Energy: 0.5195686366673729
Energy: 0.5117143222704703
Energy: 0.5107160835266068
Energy: 0.5205982976782026
Energy: 0.5111913363647365
Energy: 0.5100260249564753
Energy: 0.5273244480905569
Energy: 0.5111425104948628
Energy: 0.5113230209469914
Energy: 0.5170038889898274
Energy: 0.5110734277833393
Energy: 0.5112724984057778
Energy: 0.568205543149102
Energy: 0.5199938572355338
Energy: 0.5159022588242536
Energy: 0.5676590446796339
Energy: 0.5167243804376175
Energy: 0.5153631265974433
Energy: 0.5516233069473805
Energy: 0.5209930237771588
Energy: 0.5236558421463859
Energy: 0.5201579279653566
Energy: 0.5217422050535594
Energy: 0.5207496129040007
Energy: 0.55799229161577
Energy: 0.5250798850470911
Energy: 0.5194961394196889
Energy: 0.5588930952600413
Energy: 0.5243424375782262
Energy: 0.5204390039993559
Energy: 0.55604038841153
Energy: 0.5220037529573741
Energy: 0.5590140685789848
Energy: 0.5566990754222612
Energy: 0.520979199918001
Energy: 0.5583643342690512
Energy: 0.6934703875215532
Energy: 0.5559848730520653
Energy: 0.5555863120197041
Energy: 0.55420302173656
Energy: 0.5693712513808686
Energy: 0.5557735689946
Energy: 0.5204462155661418
Energy: 0.6384138608372819
Energy: 0.5618760129969743
Energy: 0.5531093785939138
Energy: 0.635383181145478
Energy: 0.5576668074269014
Energy: 0.6155245071240955
Energy: 0.6229796450615501
Energy: 0.5628565570740547
Energy: 0.5732885873314912
Energy: 0.6457216320190234
Energy: 0.5607360354096351
Energy: 0.5517062267649377
Energy: 0.610266022535362
Energy: 0.6161009612948837
Energy: 0.5506735797466005
Energy: 0.6370144137083966
Energy: 0.6010066655218717
Energy: 0.7001424482994262
Energy: 0.5610344330646185
Energy: 0.6119132292651726
Energy: 0.6404907170768449
Energy: 0.5606996627958966
Energy: 0.619079151347148
Energy: 0.7340194530151096
Energy: 0.5950730862204676
Energy: 0.5971930834774279
Energy: 0.6373412132868671
Energy: 0.5550909494512434
Energy: 0.6169486138402243
Energy: 0.5259845259583183
Energy: 0.6592335024700935
Energy: 0.6340527214351808
Energy: 0.526050676713614
Energy: 0.637282848001431
Energy: 0.6555224706023254

minimum gb energy = 0.5100260249564753 eV
minimum distance =  2.3552539546252 Angstroms
sigma value = 57


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

Energy: 0.8807856692274117
Energy: 0.789137394417134
Energy: 0.5641442107626056
Energy: 0.49836085988390366
Energy: 0.8213427248876537
Energy: 0.565712092863028
Energy: 0.6462789034761849
Energy: 0.5325705461936567
Energy: 0.5222941605273215
Energy: 0.6017201208660228
Energy: 0.5377992167828367
Energy: 0.5666861921091866
Energy: 0.7000239346898556
Energy: 0.5048512131512555
Energy: 0.5079016285921956
Energy: 0.5980739671167509
Energy: 0.508196505506188
Energy: 0.5435913600596303
Energy: 0.6080425017715114
Energy: 0.5043602158521022
Energy: 0.5535860604267879
Energy: 0.5401536497055872
Energy: 0.5006430775587755
Energy: 0.563922448345926
Energy: 0.5340090567334422
Energy: 0.5236431397126927
Energy: 0.520420035494276
Energy: 0.5341871390370625
Energy: 0.5566551296551722
Energy: 0.5203141788012076
Energy: 0.5056278861819967
Energy: 0.5279425558529123
Energy: 0.5055335349997512
Energy: 0.4839209859083484
Energy: 0.5503846728725653
Energy: 0.5051702790629748
Energy: 0.4958678483397341
Energy: 0.543303287843174
Energy: 0.547785801078697
Energy: 0.4964997399572801
Energy: 0.5435219808132757
Energy: 0.49421591873518705
Energy: 0.49979631824184
Energy: 0.48119203511582304
Energy: 0.48181483731841984
Energy: 0.5268907681088558
Energy: 0.48123663164246294
Energy: 0.4937577415781916
Energy: 0.49704321708309174
Energy: 0.4990975565964653
Energy: 0.49576768299005536
Energy: 0.49835571934311695
Energy: 0.4999541407548576
Energy: 0.4957117264853087
Energy: 0.5080515912584647
Energy: 0.5040150841477827
Energy: 0.47650091163788466
Energy: 0.5082440838276925
Energy: 0.5059626838009852
Energy: 0.47638336603787707
Energy: 0.48112221460377624
Energy: 0.47754543978378133
Energy: 0.4774245326495884
Energy: 0.47191145906831194
Energy: 0.48697630942204584
Energy: 0.475816468143993
Energy: 0.4848788358784275
Energy: 0.48202869665158865
Energy: 0.4865014118184383
Energy: 0.4729147996396219
Energy: 0.4824611313607904
Energy: 0.47007675937150245
Energy: 0.4766433955672415
Energy: 0.49538691664301904
Energy: 0.4924445493296263
Energy: 0.48132685439507117
Energy: 0.47556221921369624
Energy: 0.49111350711109647
Energy: 0.4765487029946712
Energy: 0.49204470060383393
Energy: 0.4781973049054451
Energy: 0.47768630465503414
Energy: 0.4862886487727853
Energy: 0.4861426330316804
Energy: 0.47636738991307553
Energy: 0.47529341258567726
Energy: 0.47546307072231037
Energy: 0.47601316593806575
Energy: 0.4773557722176267
Energy: 0.4759073886017144
Energy: 0.5053498866604974
Energy: 0.5064679469993745
Energy: 0.4757511149106594
Energy: 0.47647762597366244
Energy: 0.5033853121181163
Energy: 0.4760171255610575
Energy: 0.4780312163908732
Energy: 0.5029716582925305
Energy: 0.495636692113937
Energy: 0.4765989952734845
Energy: 0.503390742848675
Energy: 0.49413328706296444
Energy: 0.47880931574370567
Energy: 0.49449814532626785
Energy: 0.49263950101782067
Energy: 0.5051628723589763
Energy: 0.49977980591779375
Energy: 0.49381552379208965
Energy: 0.5386282113380887
Energy: 0.5054703493471613
Energy: 0.5264623996669014
Energy: 0.5396983347560799
Energy: 0.5006445496989785
Energy: 0.5492828677736376
Energy: 0.6025866410681908
Energy: 0.49170929163415755
Energy: 0.4951852797999348
Energy: 0.5374675575099003
Energy: 0.49571454112107954
Energy: 0.5263653072206902
Energy: 0.6614488088082953
Energy: 0.5387072982667453
Energy: 0.5413186167739326
Energy: 0.5566293211044262
Energy: 0.547190538887462
Energy: 0.5409297627166554
Energy: 0.47616807481819035
Energy: 0.6046151112531923
Energy: 0.537196173827179
Energy: 0.4968206226190597
Energy: 0.6010322935822232
Energy: 0.5332150062856881
Energy: 0.49959427502955883
Energy: 0.5887290939709202
Energy: 0.590017141845949
Energy: 0.49946042237695876
Energy: 0.600279684173576
Energy: 0.5754663938431308
Energy: 0.6594149410701342
Energy: 0.5387140103497712
Energy: 0.5226485657735956
Energy: 0.5420073797627158
Energy: 0.5374450436789172
Energy: 0.5589723099355297
Energy: 0.7045865055997442
Energy: 0.521629233681252
Energy: 0.5316562481780694
Energy: 0.6000474706254981
Energy: 0.5196159345983294
Energy: 0.5817639167222899
Energy: 0.6953778908165081
Energy: 0.5828852105701328
Energy: 0.5738274878986656
Energy: 0.5988302152708836
Energy: 0.6001132019092972
Energy: 0.5773761320206332
Energy: 0.48051047358459487
Energy: 0.5959332086145042
Energy: 0.5789217714240551
Energy: 0.49765442561122303
Energy: 0.6005891489529793
Energy: 0.5590275121427308

minimum gb energy = 0.47007675937150245 eV
minimum distance =  2.39090346521929 Angstroms
sigma value = 43


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

Energy: 0.8177346761145079
Energy: 0.5592902520518784
Energy: 0.49725600841044454
Energy: 0.4518106716958486
Energy: 0.5319999170202095
Energy: 0.46403869340318915
Energy: 0.5659742973036382
Energy: 0.44271493824736413
Energy: 0.44049895481341794
Energy: 0.517153990002009
Energy: 0.46657946130394
Energy: 0.435586149735009
Energy: 0.6027616540280158
Energy: 0.4282009542988585
Energy: 0.42004669662962635
Energy: 0.4780876221628223
Energy: 0.42777377317824256
Energy: 0.43353171899343573
Energy: 0.5319378030685992
Energy: 0.42407931118040765
Energy: 0.4474150050249474
Energy: 0.4681555950508197
Energy: 0.4371326439438424
Energy: 0.48478849859384127
Energy: 0.47985387687953823
Energy: 0.43639174907115447
Energy: 0.4388744305687424
Energy: 0.4712957332133366
Energy: 0.459513338212209
Energy: 0.43128099028765066
Energy: 0.43037156439589747
Energy: 0.4410539266837165
Energy: 0.4252047958420409
Energy: 0.41570569314252925
Energy: 0.4805134067576054
Energy: 0.4097433531845225
Energy: 0.5602248010300147
Energy: 0.4558833191821163
Energy: 0.4804978837540693
Energy: 0.4509030510152185
Energy: 0.48399003744886804
Energy: 0.4121336408017214
Energy: 0.5511195749234343
Energy: 0.3984005653382093
Energy: 0.4052578338382796
Energy: 0.41420023588110993
Energy: 0.39914076226772716
Energy: 0.40522248466860555
Energy: 0.4451553647067134
Energy: 0.422518586908575
Energy: 0.43077155294018415
Energy: 0.44559596565881376
Energy: 0.4063750596847187
Energy: 0.4435073351580354
Energy: 0.4435409732737974
Energy: 0.4169974637243025
Energy: 0.3963835958578851
Energy: 0.44356034278331397
Energy: 0.4131117030670571
Energy: 0.39688621618609726
Energy: 0.39799099766793833
Energy: 0.42200994836709865
Energy: 0.3975243042968819
Energy: 0.40591196698826465
Energy: 0.42087063496538285
Energy: 0.3926764450669073
Energy: 0.4473409332532234
Energy: 0.42014932633131347
Energy: 0.4204515840216535
Energy: 0.4109693751598454
Energy: 0.4201580484955969
Energy: 0.403044755301539
Energy: 0.44720681808804713
Energy: 0.40527693566117234
Energy: 0.4083176400072331
Energy: 0.40878944468889783
Energy: 0.4056271313844097
Energy: 0.4098645329135712
Energy: 0.40650886432658834
Energy: 0.41473482468395145
Energy: 0.41083029793326464
Energy: 0.407637096022279
Energy: 0.4005982536860689
Energy: 0.40653389381014776
Energy: 0.40651133587466276
Energy: 0.39531321549560544
Energy: 0.3988393154317118
Energy: 0.4066006449478086
Energy: 0.40452143871563123
Energy: 0.39876757763560083
Energy: 0.4233973198146382
Energy: 0.4007507159803246
Energy: 0.4043496572632167
Energy: 0.40290882302242315
Energy: 0.400395808461635
Energy: 0.4045713926062172
Energy: 0.40926462521795837
Energy: 0.4006638553401514
Energy: 0.40138278378145786
Energy: 0.40140164888002194
Energy: 0.4007187002772351
Energy: 0.40439519754881365
Energy: 0.40071348571555127
Energy: 0.4029130843478694
Energy: 0.40397641699706305
Energy: 0.41014265918877135
Energy: 0.4028476911563565
Energy: 0.40439295341511655
Energy: 0.40053438559698246
Energy: 0.40979902325149603
Energy: 0.40415263594586853
Energy: 0.401838555474622
Energy: 0.4422048531441257
Energy: 0.4001574528916949
Energy: 0.4000393911343156
Energy: 0.4050734284624085
Energy: 0.40513411029677526
Energy: 0.4111721967775439
Energy: 0.40537289286811856
Energy: 0.40721694765614314
Energy: 0.423165161270658
Energy: 0.4068673226378859
Energy: 0.40903874456591066
Energy: 0.4042469553960147
Energy: 0.4066195526434897
Energy: 0.40912118755918253
Energy: 0.40333708067279994
Energy: 0.4072097125428312
Energy: 0.38852662206064037
Energy: 0.3914386086425728
Energy: 0.407058597318505
Energy: 0.3890498872762208
Energy: 0.4204746697630148
Energy: 0.38890392645272504
Energy: 0.39326091203677027
Energy: 0.42053648236757896
Energy: 0.3986609919357932
Energy: 0.39366969670516777
Energy: 0.42039910908117634
Energy: 0.3884365878664159
Energy: 0.4245555011504596
Energy: 0.42164207077073
Energy: 0.4018091182311467
Energy: 0.42057611589680677
Energy: 0.5390648612872212
Energy: 0.4002913808943273
Energy: 0.39779523013873785
Energy: 0.39747062299861113
Energy: 0.39355010345926167
Energy: 0.39744008193475794
Energy: 0.5409033222883041
Energy: 0.4431451046245178
Energy: 0.4437726239998566
Energy: 0.409966525153852
Energy: 0.44330585490672486
Energy: 0.3971431922748003
Energy: 0.39979815073721425
Energy: 0.44467431401532537
Energy: 0.41533751668168034
Energy: 0.4099000788609687
Energy: 0.4438467598751295
Energy: 0.4006427825890918
Energy: 0.45654096182244813
Energy: 0.41790940134316107
Energy: 0.41385548476701145
Energy: 0.45761235590110844
Energy: 0.43557711759663753
Energy: 0.4130550193656608
Energy: 0.4811864949875874
Energy: 0.4317987693785039
Energy: 0.4661489896457618
Energy: 0.48215957885837696
Energy: 0.40140598263047994
Energy: 0.4807302815386298
Energy: 0.5702476417335015
Energy: 0.4068032058747399
Energy: 0.41759744358819
Energy: 0.4410681189215976
Energy: 0.40687452198282403
Energy: 0.41751212210256256
Energy: 0.5743471149226075
Energy: 0.43739714321695317
Energy: 0.46551159211569226
Energy: 0.4720081974583371
Energy: 0.46664142311618145
Energy: 0.4275385091765673
Energy: 0.4424667571684776
Energy: 0.4853185104208972
Energy: 0.44285949346442877
Energy: 0.4254215720930879
Energy: 0.510870568904202
Energy: 0.4190178671849111
Energy: 0.4936383190089949
Energy: 0.47694476811309716
Energy: 0.47234392563472366
Energy: 0.48147850803833797
Energy: 0.4770286234337845
Energy: 0.47037205950478084
Energy: 0.5719908485280168
Energy: 0.45934632409592696
Energy: 0.4618060069180148
Energy: 0.4704356900984074
Energy: 0.44913812929081864
Energy: 0.5152810206034892
Energy: 0.6047103682694894
Energy: 0.44292206907734805
Energy: 0.4713747695206209
Energy: 0.5021103742465347
Energy: 0.44754962173395196
Energy: 0.4710703993294859
Energy: 0.5830857301432854
Energy: 0.4812204455231203
Energy: 0.4695347130046455
Energy: 0.5176236198517842
Energy: 0.5054706395715347
Energy: 0.4817882847671383

minimum gb energy = 0.3884365878664159 eV
minimum distance =  2.41493465890871 Angstroms
sigma value = 81


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

Energy: 0.028332355481645706
Energy: 0.029014481302205776
Energy: 0.028623110347967756
Energy: 0.030421443264712845
Energy: 0.08613377650309258
Energy: 0.028996317246855485
Energy: 0.057749756443375544
Energy: 0.029017035959411942
Energy: 0.02911491977039718
Energy: 0.05800688932753612
Energy: 0.030645325292449104
Energy: 0.02929104239478743
Energy: 0.056915764515354364
Energy: 0.028877737774293786
Energy: 0.02877526059654728
Energy: 0.05690765912245325
Energy: 0.028648879957848667
Energy: 0.05723552452316722
Energy: 0.031566956335839565
Energy: 0.028983592868177435
Energy: 0.02900067402763183
Energy: 0.030771088390531956
Energy: 0.028780115483498275
Energy: 0.05761043972311801
Energy: 0.057104619337023606
Energy: 0.056796903585934026
Energy: 0.05690988019467025
Energy: 0.05776289034773604
Energy: 0.056992465144518174
Energy: 0.058218078812643986
Energy: 0.029131088361316792
Energy: 0.029014188282507302
Energy: 0.028974973502529713
Energy: 0.030605363163814757
Energy: 0.029322127113483764
Energy: 0.029115648842536826
Energy: 0.05732681744221078
Energy: 0.02933934961368161
Energy: 0.029131818222138686
Energy: 0.056872330093913896
Energy: 0.028901659791308428
Energy: 0.029139461915558003
Energy: 0.057046560215997154
Energy: 0.028745475122513794
Energy: 0.02926484862675614
Energy: 0.056933514695882814
Energy: 0.02867073918086516
Energy: 0.05871304533496767
Energy: 0.02998254862691522
Energy: 0.028901521776039
Energy: 0.059139709790850765
Energy: 0.03153436020745932
Energy: 0.029103421285291316
Energy: 0.05867965212411325
Energy: 0.02920372358007464
Energy: 0.05683508111249115
Energy: 0.056762782426935915
Energy: 0.02911590339034654
Energy: 0.05692293892818887
Energy: 0.056787998657861966

minimum gb energy = 0.028332355481645706 eV
minimum distance =  2.53438598471532 Angstroms
sigma value = 3


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

Energy: 0.4742515684955108
Energy: 0.4624174289165558
Energy: 0.46818268695320053
Energy: 0.43184377048146283
Energy: 0.46296324819607887
Energy: 0.43168665853195837
Energy: 0.48646753066557696
Energy: 0.47645897777312735
Energy: 0.4743931548323849
Energy: 0.47039202583246376
Energy: 0.47240709605475645
Energy: 0.4751250925668159
Energy: 0.47541898093446666
Energy: 0.4422455859454676
Energy: 0.442479413235036
Energy: 0.46784737325317666
Energy: 0.43839000871457023
Energy: 0.4626037780516434
Energy: 0.449368020480722
Energy: 0.4421621885850976
Energy: 0.44233650894519266
Energy: 0.4493588959230604
Energy: 0.4078862798211531
Energy: 0.46561131593814514
Energy: 0.4046005609067474
Energy: 0.4757385990345126
Energy: 0.4745258106847947
Energy: 0.40512549671075854
Energy: 0.47322399302986223
Energy: 0.4742247297936491
Energy: 0.452263426661985
Energy: 0.4808848871074386
Energy: 0.452103361280797
Energy: 0.37396349484420405
Energy: 0.47986669307838525
Energy: 0.42526926881685156
Energy: 0.4522724121920348
Energy: 0.412045859483894
Energy: 0.4600233154846185
Energy: 0.4520000834594338
Energy: 0.4167519861662468
Energy: 0.4590750422839257
Energy: 0.44729307130835605
Energy: 0.4362315397681586
Energy: 0.4346732766326556
Energy: 0.44735595565368763
Energy: 0.3540191828336879
Energy: 0.43517299209325966
Energy: 0.47455923732100763
Energy: 0.43549790448919556
Energy: 0.4615587107816889
Energy: 0.46075612149211415
Energy: 0.37677257610539905
Energy: 0.4637517652540477
Energy: 0.38504172843007367
Energy: 0.4137605530459229
Energy: 0.4145956146961662
Energy: 0.4289705349535336
Energy: 0.417254170932836
Energy: 0.4275758563059863
Energy: 0.4523002628585287
Energy: 0.4412230139841563
Energy: 0.4421314325118883
Energy: 0.36192312426425005
Energy: 0.45651517357401333
Energy: 0.41646007385766703
Energy: 0.38298215615254994
Energy: 0.44426423259311454
Energy: 0.4444037509034778
Energy: 0.38293914174752003
Energy: 0.43330978913578094
Energy: 0.38280214185317146
Energy: 0.3861889192856427
Energy: 0.3852542229201331
Energy: 0.42282875426207517
Energy: 0.38609565069290275
Energy: 0.34960724645040164
Energy: 0.40533619907421814
Energy: 0.44360769190234534
Energy: 0.4164692680728196
Energy: 0.4231709299858785
Energy: 0.38729427807340083
Energy: 0.3648117622481811
Energy: 0.42297381004180207
Energy: 0.44377393966284856
Energy: 0.36320655278676744
Energy: 0.3630171073584863
Energy: 0.4438754974236855
Energy: 0.3673246592934444
Energy: 0.3643211276934605
Energy: 0.4425640546219452
Energy: 0.4125332253912974
Energy: 0.41133450835332636
Energy: 0.35524371379048797
Energy: 0.4373476743846965
Energy: 0.4114102471760249
Energy: 0.35737327496869153
Energy: 0.41156497401505715
Energy: 0.40988988964890616
Energy: 0.35298502257291786
Energy: 0.36598549409805375
Energy: 0.3519903908511179
Energy: 0.35382520879405255
Energy: 0.38734821574089967
Energy: 0.4064186557763539
Energy: 0.3541208435366975
Energy: 0.3554103820148874
Energy: 0.4070713269082202
Energy: 0.44763307133996555
Energy: 0.39237464577286585
Energy: 0.4060930201443804
Energy: 0.3559537414020443
Energy: 0.3543120124149702
Energy: 0.40600338217096954
Energy: 0.4384841689798404
Energy: 0.35254704894129246
Energy: 0.35226950171360366
Energy: 0.43818473183123435
Energy: 0.3574583460833019
Energy: 0.3534074052513803
Energy: 0.4375527436316755
Energy: 0.4120356656470594
Energy: 0.41119474146631363
Energy: 0.365291971466402
Energy: 0.4106624083590303
Energy: 0.41016503866885295
Energy: 0.3680685307291667
Energy: 0.41224175947237435
Energy: 0.41026681584304653
Energy: 0.3664246791804136
Energy: 0.4097406053578309
Energy: 0.3634306154778086
Energy: 0.3637069689190343
Energy: 0.3871191530572267
Energy: 0.42379541131824483
Energy: 0.36366274926661746
Energy: 0.38931849396618906
Energy: 0.38637912284640136
Energy: 0.44510345078127606
Energy: 0.3851586024692605
Energy: 0.42271601518971685
Energy: 0.35545446545299664
Energy: 0.3847808724525904
Energy: 0.41173182496392796
Energy: 0.45908083761592344
Energy: 0.3828891719596218
Energy: 0.3830568812085864
Energy: 0.4567621801738387
Energy: 0.3897501160799448
Energy: 0.38419875011103505
Energy: 0.4597912217830705
Energy: 0.42740006388156665
Energy: 0.4277325664171943
Energy: 0.45713928818993027
Energy: 0.4077120117425147
Energy: 0.4424917552862929
Energy: 0.4159364351638706
Energy: 0.4269315445525337
Energy: 0.4293636885418328
Energy: 0.41641287146937017
Energy: 0.4624527338793443
Energy: 0.42819967215755594
Energy: 0.3916634209900048
Energy: 0.40714710141004695
Energy: 0.4091903068937575
Energy: 0.3917376843743501
Energy: 0.40901186228316727
Energy: 0.4615306554935399
Energy: 0.458022620458729
Energy: 0.4551021033244688
Energy: 0.45186532375089683
Energy: 0.3665183189903069
Energy: 0.4477117069037949
Energy: 0.4209534474612308
Energy: 0.4199688993091274
Energy: 0.45961817037847413
Energy: 0.4563979523096756
Energy: 0.41930605512121827
Energy: 0.4504638207879415
Energy: 0.4691495121754222
Energy: 0.46386911225638466
Energy: 0.4426708847216446
Energy: 0.4405252270089149
Energy: 0.4635317679133315
Energy: 0.3580010518697086
Energy: 0.44052193087701075
Energy: 0.5137366909790183
Energy: 0.4418246117243861
Energy: 0.47150384841568904
Energy: 0.4780231645491853
Energy: 0.38591507126370417
Energy: 0.501210261084393
Energy: 0.412554872043858
Energy: 0.4465439042136317
Energy: 0.4549949718156435
Energy: 0.41287776312573543
Energy: 0.45101049596615217
Energy: 0.44389473968921445

minimum gb energy = 0.34960724645040164 eV
minimum distance =  2.35943829871523 Angstroms
sigma value = 67


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

Energy: 0.558258334575561
Energy: 0.5605874893928847
Energy: 0.5450262832363106
Energy: 0.4594516094474158
Energy: 0.6247076495830005
Energy: 0.5453977005836225
Energy: 0.564071422194224
Energy: 0.5703308430498737
Energy: 0.5667788119185754
Energy: 0.5550546649204334
Energy: 0.5763083413855313
Energy: 0.554174487223413
Energy: 0.5658587451590775
Energy: 0.5005089456193653
Energy: 0.5402618239948642
Energy: 0.5532794396040271
Energy: 0.5003730920759868
Energy: 0.5450045068322158
Energy: 0.5225171824144131
Energy: 0.5410970442740195
Energy: 0.5398416370339458
Energy: 0.5231498658064868
Energy: 0.5257938366847706
Energy: 0.5477171916224037
Energy: 0.5193373784680394
Energy: 0.5632860202910778
Energy: 0.5625259993323796
Energy: 0.5198052029803746
Energy: 0.5632076524573536
Energy: 0.574936918298714
Energy: 0.5396367864752715
Energy: 0.5488060096999893
Energy: 0.5362295436406405
Energy: 0.4776450633261404
Energy: 0.555248257015708
Energy: 0.5265256867539982
Energy: 0.5314870452767988
Energy: 0.5334811146262229
Energy: 0.5301545588643357
Energy: 0.5330832313894652
Energy: 0.53486994486611
Energy: 0.5278694631801574
Energy: 0.5228084587722318
Energy: 0.46038477883669016
Energy: 0.511721452162401
Energy: 0.5230132969850052
Energy: 0.4559761936000957
Energy: 0.5406907077584244
Energy: 0.550518724026277
Energy: 0.5411380413771423
Energy: 0.5420836831087043
Energy: 0.5356173294801448
Energy: 0.4855768058569877
Energy: 0.5405031454230311
Energy: 0.5129100272003707
Energy: 0.48635686028000485
Energy: 0.48746714472145863
Energy: 0.5107253635440903
Energy: 0.48564180634488646
Energy: 0.4992566337567424
Energy: 0.511975460214089
Energy: 0.5167791237781464
Energy: 0.5160041411709557
Energy: 0.45998112353066783
Energy: 0.5393516587098767
Energy: 0.5163998771541395
Energy: 0.4649861022587522
Energy: 0.48941916398760676
Energy: 0.5126820898004419
Energy: 0.46530118421173955
Energy: 0.4870115187027014
Energy: 0.46071603742540285
Energy: 0.46404173729045733
Energy: 0.4655669393466388
Energy: 0.46000442008890136
Energy: 0.4645321683566918
Energy: 0.46166141742363387
Energy: 0.4599740026525809
Energy: 0.5407357135807402
Energy: 0.5072312757834336
Energy: 0.5049556531938151
Energy: 0.4600512613503541
Energy: 0.5030533381546294
Energy: 0.5042350285134591
Energy: 0.539563384214568
Energy: 0.4620017881489619
Energy: 0.4644902869412037
Energy: 0.5391103865278166
Energy: 0.4610331229465838
Energy: 0.46012849323279814
Energy: 0.5408036618008635
Energy: 0.5173128112475968
Energy: 0.5142781908831361
Energy: 0.48401835617991273
Energy: 0.5099701705897937
Energy: 0.5126114735260132
Energy: 0.48417489157564425
Energy: 0.45645548344731385
Energy: 0.502994780281907
Energy: 0.4848554233971654
Energy: 0.45258643646321234
Energy: 0.498268297129776
Energy: 0.49072973561167554
Energy: 0.5419309987964952
Energy: 0.540683932786475
Energy: 0.48290688335933224
Energy: 0.5362426959495675
Energy: 0.48465370544861686
Energy: 0.5364805156785628
Energy: 0.5356421271163535
Energy: 0.5277272561667605
Energy: 0.46454137291189235
Energy: 0.5532726414266597
Energy: 0.5285885034339219
Energy: 0.48780063958746595
Energy: 0.5314661948803261
Energy: 0.53084115946254
Energy: 0.5322254871642544
Energy: 0.5287087767070464
Energy: 0.5431428436751647
Energy: 0.5328534774616155
Energy: 0.5050496237826502
Energy: 0.554528298300676
Energy: 0.5326707609069009
Energy: 0.5247348301509671
Energy: 0.552635559661158
Energy: 0.5647971100437017
Energy: 0.5227310305221563
Energy: 0.5484737465840599
Energy: 0.5540541996025723
Energy: 0.4635018740002497
Energy: 0.5525504335738581
Energy: 0.5295348519229178
Energy: 0.5294002355084879
Energy: 0.5312176083773777
Energy: 0.5304078229149685
Energy: 0.5231229703413475
Energy: 0.5275066145846017

minimum gb energy = 0.45258643646321234 eV
minimum distance =  2.35215803304132 Angstroms
sigma value = 33


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

Energy: 0.6423739932181206
Energy: 0.6170259607074883
Energy: 0.6524851377933036
Energy: 0.5581024717621764
Energy: 0.6596157666380152
Energy: 0.6078396456577305
Energy: 0.6489348396616269
Energy: 0.636589611451415
Energy: 0.6362536526044643
Energy: 0.6379310061781522
Energy: 0.6311424163992366
Energy: 0.6389091886490142
Energy: 0.6495259739103245
Energy: 0.5783347966839437
Energy: 0.5981822643469372
Energy: 0.631252678157386
Energy: 0.5746890274291634
Energy: 0.5983584381833883
Energy: 0.5838465777787057
Energy: 0.5800454147516857
Energy: 0.5964286311574037
Energy: 0.5838399705903823
Energy: 0.5911469850586794
Energy: 0.6143688815085305
Energy: 0.5834412896434766
Energy: 0.6328321172779924
Energy: 0.6365167541933772
Energy: 0.5844303675660135
Energy: 0.6329352256080838
Energy: 0.6376286850710526
Energy: 0.5745985762415193
Energy: 0.630422541055022
Energy: 0.6106196702638569
Energy: 0.5377043190971685
Energy: 0.6337878639008251
Energy: 0.5345122618760577
Energy: 0.5828345485297898
Energy: 0.6372793562868427
Energy: 0.6404714900940999
Energy: 0.5835106456123855
Energy: 0.6357089648662522
Energy: 0.5836709332733214
Energy: 0.5845609667466415
Energy: 0.542186359189191
Energy: 0.5428943699074514
Energy: 0.5843843817815417
Energy: 0.5463117654283947
Energy: 0.5674834458817136
Energy: 0.6120112364475431
Energy: 0.5432120019609658
Energy: 0.5796863479913726
Energy: 0.5868795638204692
Energy: 0.5435136470593793
Energy: 0.5907513494914085
Energy: 0.614675771165419
Energy: 0.5451399817944428
Energy: 0.5417334622397177
Energy: 0.612035562815128
Energy: 0.5431391337098559
Energy: 0.5445921971573165
Energy: 0.576856490218544
Energy: 0.5438508165518205
Energy: 0.5509315112288178
Energy: 0.545608507168523
Energy: 0.5786148067166859
Energy: 0.5439331159754007
Energy: 0.542974720784027
Energy: 0.5423796180368762
Energy: 0.5433681623963034
Energy: 0.5430685716889825
Energy: 0.5543621660457865
Energy: 0.5424053767240286
Energy: 0.5438333408020807
Energy: 0.5885042137482596
Energy: 0.5656274802082761
Energy: 0.5440172596988562
Energy: 0.5871169380921223
Energy: 0.5422571656266434
Energy: 0.5260617820422299
Energy: 0.5922248527315358
Energy: 0.5439303981522435
Energy: 0.5293416994436178
Energy: 0.6181339572506827
Energy: 0.5272523080979278
Energy: 0.5733462950152786
Energy: 0.583049260814069
Energy: 0.5879792305813879
Energy: 0.5773158814117266
Energy: 0.5834007849816593
Energy: 0.5683995304864251
Energy: 0.5853032154787777
Energy: 0.5879212719006335
Energy: 0.6070634644542322
Energy: 0.5854829902321881
Energy: 0.5498656247919028
Energy: 0.584431558727963
Energy: 0.6471186080329766
Energy: 0.547782380950697
Energy: 0.5690004543957693
Energy: 0.6304645193500138
Energy: 0.5531177832062815
Energy: 0.5506150556149833
Energy: 0.6518468166244307
Energy: 0.6376901593961067
Energy: 0.5846537685675588
Energy: 0.633539075849603
Energy: 0.6374350200907821
Energy: 0.6196749826019623
Energy: 0.6169209157649387
Energy: 0.6313440835512335
Energy: 0.6432755126106091
Energy: 0.5455154481949749
Energy: 0.63241863159656
Energy: 0.5402848143319269
Energy: 0.6044549472636751
Energy: 0.6366734840589838
Energy: 0.6368177290101878
Energy: 0.6083111748019653
Energy: 0.6327657737675363
Energy: 0.6384418926395097
Energy: 0.6489777567629523
Energy: 0.5925908031578279
Energy: 0.602687754139238
Energy: 0.6326523069992703
Energy: 0.5877521228016418
Energy: 0.6169807690316792
Energy: 0.6318242472362976
Energy: 0.5787346557566505
Energy: 0.5786313076733818
Energy: 0.6309676150329928
Energy: 0.5747044729639224
Energy: 0.6128427040162812
Energy: 0.5836747389073649
Energy: 0.6322421446379948
Energy: 0.6364457362649683
Energy: 0.5841876343151262
Energy: 0.6324414881451512
Energy: 0.6398816906519639
Energy: 0.5766688632022984
Energy: 0.5544664476097113
Energy: 0.6115091996951866
Energy: 0.5321086738153001
Energy: 0.6323661647374
Energy: 0.533532012853994
Energy: 0.5826218273871372
Energy: 0.5867262230424568
Energy: 0.5872601038450287
Energy: 0.5838618852211368
Energy: 0.6346980557060669
Energy: 0.5825339611576077
Energy: 0.5853420047963679
Energy: 0.5424917361352842
Energy: 0.541979432209023
Energy: 0.583665660649802
Energy: 0.5456153742201842
Energy: 0.5680230127590771
Energy: 0.6121328224376754
Energy: 0.5432045194311932
Energy: 0.5427318765728277
Energy: 0.5889099586880481
Energy: 0.578361074635241
Energy: 0.5901405518935509
Energy: 0.6123806717002835
Energy: 0.5454070435928697
Energy: 0.5423813645694929
Energy: 0.5888204167731665
Energy: 0.5434917193714485
Energy: 0.5436891960813812
Energy: 0.576119918313937
Energy: 0.5682213972429883
Energy: 0.5428065671193836
Energy: 0.5464489276627978
Energy: 0.5779459082799687
Energy: 0.5442435508023233
Energy: 0.5426435745201061
Energy: 0.5416969374720064
Energy: 0.5431854098477311
Energy: 0.5426762911492554
Energy: 0.5487445004623502
Energy: 0.5414461935886158
Energy: 0.5448809576011048
Energy: 0.5880880300684491
Energy: 0.5689757569434034
Energy: 0.5447003394754601
Energy: 0.5883503904859593
Energy: 0.5418858819214386
Energy: 0.5243982447678063
Energy: 0.5852189286803403
Energy: 0.5439104710657463
Energy: 0.5289962135851218
Energy: 0.6141809039586009
Energy: 0.5280803210845202
Energy: 0.5254184241182615
Energy: 0.5832809597972045
Energy: 0.5883856193706544
Energy: 0.5732178097338656
Energy: 0.5838966276627789
Energy: 0.5733196607083051
Energy: 0.5849411755001107
Energy: 0.6112859705232844
Energy: 0.5865324358067033
Energy: 0.5844536041644449
Energy: 0.5504207487636592
Energy: 0.5853220882041461
Energy: 0.6476965721300004
Energy: 0.5481508116344989
Energy: 0.5702058960257539
Energy: 0.6298725331055222
Energy: 0.5239202433979182
Energy: 0.5507148532651025
Energy: 0.6535215225592103
Energy: 0.6377490756135558
Energy: 0.6203986108264664
Energy: 0.6334875799573774
Energy: 0.6387284011760416
Energy: 0.6359449380009804
Energy: 0.5375561754404552
Energy: 0.6318494398684275
Energy: 0.6473257741558109
Energy: 0.5437377088720543
Energy: 0.6314618810223088
Energy: 0.5408705999534323

minimum gb energy = 0.5239202433979182 eV
minimum distance =  2.3594230357426 Angstroms
sigma value = 41


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

Energy: 0.8597440583591273
Energy: 0.7065287800618562
Energy: 0.6666846158096927
Energy: 0.6585742658537358
Energy: 0.7086199282462116
Energy: 0.6655421652540501
Energy: 0.7438529725004316
Energy: 0.6965600512293775
Energy: 0.6604019987659923
Energy: 0.701743112751369
Energy: 0.707217956183333
Energy: 0.6604700259202677
Energy: 0.7433541592139211
Energy: 0.6533338779945629
Energy: 0.6517012362390531
Energy: 0.6689339739117944
Energy: 0.6498006468542308
Energy: 0.6514332757256925
Energy: 0.7096481341199619
Energy: 0.6533393862444339
Energy: 0.6514777194654723
Energy: 0.7103865159519496
Energy: 0.6500809266234933
Energy: 0.6585496663392364
Energy: 0.6677431294624332
Energy: 0.6567531708851148
Energy: 0.659770173128737
Energy: 0.6585010963964575
Energy: 0.698349219826148
Energy: 0.6592621460376487
Energy: 0.6816227948227993
Energy: 0.6600275147463119
Energy: 0.6586177055763629
Energy: 0.6488194648134202
Energy: 0.6569025527615512
Energy: 0.6584168019705592
Energy: 0.6664864919115611
Energy: 0.7149469188180202
Energy: 0.6590121524894188
Energy: 0.6578819539321017
Energy: 0.6986196348741516
Energy: 0.6569379258091166
Energy: 0.6714078158442971
Energy: 0.6572809408960957
Energy: 0.6595785889927206
Energy: 0.6719621299554662
Energy: 0.6553908006065652
Energy: 0.6613141811382031
Energy: 0.7029174887501803
Energy: 0.6607045587322656
Energy: 0.6599400378642
Energy: 0.6543971374600195
Energy: 0.6692755020681866
Energy: 0.6595793247182096
Energy: 0.6912322019419666
Energy: 0.6557853483961642
Energy: 0.6579690611452478
Energy: 0.6554981761906037
Energy: 0.6666923965536303
Energy: 0.6571763238538563
Energy: 0.7161271544247547
Energy: 0.671115537098
Energy: 0.6712854443005696
Energy: 0.7023529850131562
Energy: 0.641337371844461
Energy: 0.6989856030984435
Energy: 0.7431676311228672
Energy: 0.6551521935306307
Energy: 0.6536864203173877
Energy: 0.6687091924682687
Energy: 0.6479829882539373
Energy: 0.6540844195581733
Energy: 0.7496761599436025
Energy: 0.6991424737792089
Energy: 0.6699411834512405
Energy: 0.7092857773373344
Energy: 0.700166528901296
Energy: 0.6604876240280894
Energy: 0.6764696326627924
Energy: 0.6745198396665697
Energy: 0.6544719201175562
Energy: 0.64235527831656
Energy: 0.6693560696738047
Energy: 0.6561934103502683

minimum gb energy = 0.641337371844461 eV
minimum distance =  2.38550825058121 Angstroms
sigma value = 11


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

Energy: 0.7802253993403447
Energy: 0.7974557889474675
Energy: 0.8207690541634476
Energy: 0.8079664097321348
Energy: 0.7905642504925388
Energy: 0.8012088387043086
Energy: 0.8598399174750683
Energy: 0.7665013834706861
Energy: 0.7513336370787635
Energy: 0.7395021338160854
Energy: 0.7688374129001027
Energy: 0.744591775040399
Energy: 0.8642558467957512
Energy: 0.7354458896804807
Energy: 0.7352667876583713
Energy: 0.7459099683476184
Energy: 0.7355733862362861
Energy: 0.7391473462553791
Energy: 0.775091163863892
Energy: 0.7361761007943733
Energy: 0.7395938264581798
Energy: 0.7500548813685032
Energy: 0.7350186443919138
Energy: 0.7389051396133841
Energy: 0.7815243498821912
Energy: 0.7494123459008153
Energy: 0.7448769355464185
Energy: 0.7449007269011253
Energy: 0.7635870376945704
Energy: 0.7437947760320986
Energy: 0.7778713236368803
Energy: 0.7412878348541603
Energy: 0.7413449569265872
Energy: 0.7441506445517457
Energy: 0.7871234175954155
Energy: 0.7419421068891758
Energy: 0.7791108032670493
Energy: 0.7410851032301856
Energy: 0.740937268131059
Energy: 0.7830997634504464
Energy: 0.7393265579112769
Energy: 0.7411571403581265
Energy: 0.7750331667290525
Energy: 0.7437444655374367
Energy: 0.7435376630300191
Energy: 0.7630858936846839
Energy: 0.7417008318611636
Energy: 0.7450690054784013
Energy: 0.7914311616088113
Energy: 0.739817884716409
Energy: 0.7395780169749192
Energy: 0.7301325545576126
Energy: 0.7495247341190894
Energy: 0.741351898235548
Energy: 0.7977044871288078
Energy: 0.7399160043823478
Energy: 0.7395318262803409
Energy: 0.7308498957085399
Energy: 0.7411407595910606
Energy: 0.7413629189274323
Energy: 0.7834392084751335
Energy: 0.7485807659920218
Energy: 0.7565281436509699
Energy: 0.7678058894001843
Energy: 0.7431828124882183
Energy: 0.7502728924000424
Energy: 0.7706758349763709
Energy: 0.7361904219921476
Energy: 0.7363015684414129
Energy: 0.7704127760762133
Energy: 0.7373655756135913
Energy: 0.7366443486861894
Energy: 0.7707462449069101
Energy: 0.7388458145096378
Energy: 0.7389717441383842
Energy: 0.770509675354884
Energy: 0.7396221526930591
Energy: 0.7387504428836357
Energy: 0.7654388782146195
Energy: 0.7409349315300089
Energy: 0.7390745233503938
Energy: 0.7351761273238718
Energy: 0.7458609790372028
Energy: 0.7385876821917248
Energy: 0.7632916040907333
Energy: 0.7405718595668987
Energy: 0.7392639381753024
Energy: 0.7541439750200317
Energy: 0.7392985574376987
Energy: 0.7385404179785441
Energy: 0.7628006151194406
Energy: 0.7421271332128493
Energy: 0.738554409919138
Energy: 0.7627831873908604
Energy: 0.7385954601887671
Energy: 0.7392076326949072
Energy: 0.7624437789455556
Energy: 0.740644593412177
Energy: 0.7398359230881959
Energy: 0.7604082006944717
Energy: 0.7397077070892158
Energy: 0.7389361808174122
Energy: 0.7815989973265357
Energy: 0.7900923750904251
Energy: 0.7908699056152593
Energy: 0.7504396103401781
Energy: 0.8004266239546312
Energy: 0.7585546986849794
Energy: 0.7692800673473511
Energy: 0.7398640722233524
Energy: 0.740347091239004
Energy: 0.7697438983914827
Energy: 0.7534328365904395
Energy: 0.7384117500858419
Energy: 0.7614902100686545
Energy: 0.7375747784970533
Energy: 0.7373626016021464
Energy: 0.7544475703986079
Energy: 0.737811917791899
Energy: 0.7338544461948592
Energy: 0.8073836634088384
Energy: 0.7384371862049937
Energy: 0.7333317718548482
Energy: 0.7530326568949836
Energy: 0.7375412444118898
Energy: 0.7394201324753537
Energy: 0.8032396540040698
Energy: 0.7555989134041338
Energy: 0.742960707377983
Energy: 0.7476624188861964
Energy: 0.7603901944828654
Energy: 0.7380096254775963
Energy: 0.7798684450829545
Energy: 0.7565626520177509
Energy: 0.7404463783729921
Energy: 0.7326589229059752
Energy: 0.7527234149461431
Energy: 0.7400901699558678
Energy: 0.806282490435596
Energy: 0.745832251520663
Energy: 0.7391494122674848
Energy: 0.7532858372241664
Energy: 0.7690384492755317
Energy: 0.7385773273333146
Energy: 0.7862748562397417
Energy: 0.7386924348308812
Energy: 0.7388586276597852
Energy: 0.7904284125325861
Energy: 0.7399749608420454
Energy: 0.7404915786469998
Energy: 0.7900738056990717
Energy: 0.7407152862511127
Energy: 0.7398679964201362
Energy: 0.7401684956940562
Energy: 0.7382766812400748
Energy: 0.7393433395676876
Energy: 0.7877603706972238
Energy: 0.7635934085468887
Energy: 0.7404026555259016
Energy: 0.7388956292039355
Energy: 0.7629574114522283
Energy: 0.7382341348946544
Energy: 0.7875085773280748
Energy: 0.7410321323193714
Energy: 0.7394768688243025
Energy: 0.7389751203099826
Energy: 0.741201871598749
Energy: 0.738948551509904
Energy: 0.8606958448882556
Energy: 0.7329162110592027
Energy: 0.7326414249055146
Energy: 0.7955248298105864
Energy: 0.7373151444416671
Energy: 0.7333048003457765
Energy: 0.8578655984810355
Energy: 0.7584722415088598
Energy: 0.7393056130272425
Energy: 0.7396209763565031
Energy: 0.7724119917075827
Energy: 0.7388008801834718
Energy: 0.7927649790649387
Energy: 0.7680918902816225
Energy: 0.7384581362136975
Energy: 0.7350818969994496
Energy: 0.7687143999355035
Energy: 0.7382263925049001

minimum gb energy = 0.7301325545576126 eV
minimum distance =  2.38171709719863 Angstroms
sigma value = 57


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

Energy: 1.0274445097691165
Energy: 0.7927082620450059
Energy: 0.7961466758594531
Energy: 0.7947893184292466
Energy: 0.771187289406245
Energy: 0.7970208126389
Energy: 0.8362916889374911
Energy: 0.7798262131277905
Energy: 0.7756268682767787
Energy: 0.7710211667410805
Energy: 0.7736998464556555
Energy: 0.7750143796892094
Energy: 0.8409501613022864
Energy: 0.7651185701283084
Energy: 0.7689565110369958
Energy: 0.7763263467854071
Energy: 0.7652870073895115
Energy: 0.782304300243817
Energy: 0.7699511394892131
Energy: 0.7738532878166052
Energy: 0.772869887758096
Energy: 0.7712505271834104
Energy: 0.7648481842182437
Energy: 0.7742008134912839
Energy: 0.8106751594216728
Energy: 0.778148046834274
Energy: 0.7743749301297578
Energy: 0.7727221146409414
Energy: 0.7739635017101321
Energy: 0.773329006500576
Energy: 0.7693895453690511
Energy: 0.7927901512475373
Energy: 0.773490839806068
Energy: 0.7702891527647869
Energy: 0.788123614516407
Energy: 0.774134112618893
Energy: 0.7884685515068472
Energy: 0.7561756468344085
Energy: 0.7673738844937062
Energy: 0.7888769628734276
Energy: 0.7530153888085436
Energy: 0.79107388535676
Energy: 0.836939253247357
Energy: 0.7737007472111715
Energy: 0.7736764664759089
Energy: 0.7727501776594338
Energy: 0.7704758583111212
Energy: 0.7747276827130194
Energy: 0.8483715249263805
Energy: 0.779114250315926
Energy: 0.7672700638028892
Energy: 0.7680420540487283
Energy: 0.7745625536073552
Energy: 0.7669547829776273
Energy: 0.8476230653680755
Energy: 0.7796811998151726
Energy: 0.7671385751345556
Energy: 0.7681317529161978
Energy: 0.7764344990422647
Energy: 0.7668661837956177
Energy: 0.8384950139158561
Energy: 0.7759956820328602
Energy: 0.7766446028700638
Energy: 0.7722121961630048
Energy: 0.7698025665348882
Energy: 0.7828651511442555
Energy: 0.7731076228639392
Energy: 0.7642517119621555
Energy: 0.7650280929794805
Energy: 0.7735377397424618
Energy: 0.763859490680281
Energy: 0.7820711086085175
Energy: 0.7714483427485231
Energy: 0.7817334490094106
Energy: 0.7735885893705514
Energy: 0.7725387249170134
Energy: 0.7709540558087093
Energy: 0.773264288582726
Energy: 0.7695060866954134
Energy: 0.7740724777252106
Energy: 0.7735040504198997
Energy: 0.7701746845589821
Energy: 0.779089516454034
Energy: 0.7729992093534986
Energy: 0.787771095275936
Energy: 0.7615968315800714
Energy: 0.7738393353133125
Energy: 0.7725070823643237
Energy: 0.7547287252508466
Energy: 0.7739815733048798
Energy: 0.8374848728378422
Energy: 0.7631121930435881
Energy: 0.7668866734589935
Energy: 0.7756888927422914
Energy: 0.7552190254633896
Energy: 0.773117756396842
Energy: 0.8128968557813511
Energy: 0.7768429657032079
Energy: 0.7749794106721309
Energy: 0.7847514092841168
Energy: 0.7718020665988494
Energy: 0.7740808893793474

minimum gb energy = 0.7530153888085436 eV
minimum distance =  2.3872621218479 Angstroms
sigma value = 9


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

Energy: 0.8863651146040304
Energy: 0.8196349318360429
Energy: 0.7913640054378248
Energy: 0.8421270584234993
Energy: 0.869302797369433
Energy: 0.8433401101387203
Energy: 0.9100922079659913
Energy: 0.8144630728377386
Energy: 0.8134230010748906
Energy: 0.8005813832951566
Energy: 0.8228729153353576
Energy: 0.812252715398882
Energy: 0.8440167646196837
Energy: 0.8054435810854244
Energy: 0.8061964241946099
Energy: 0.8142443951242149
Energy: 0.80102390644151
Energy: 0.8042928878431405
Energy: 0.8081057195731297
Energy: 0.8043053087819321
Energy: 0.7958184047157575
Energy: 0.8093253547188863
Energy: 0.8060124707662861
Energy: 0.7958576483236842
Energy: 0.7939857229904964
Energy: 0.8140462859693492
Energy: 0.8198738986616394
Energy: 0.7947388429056795
Energy: 0.8243715847825848
Energy: 0.820458799334437
Energy: 0.7916535069509684
Energy: 0.7956065299978483
Energy: 0.7933405731464912
Energy: 0.7925678236011813
Energy: 0.7953454620467789
Energy: 0.7928823971313606
Energy: 0.8039685247340798
Energy: 0.7925675544186569
Energy: 0.7908454127884107
Energy: 0.8035660219986172
Energy: 0.7934003349615373
Energy: 0.8175667773651457
Energy: 0.8564424073170389
Energy: 0.7964892910385202
Energy: 0.7972602420326942
Energy: 0.7999537687323421
Energy: 0.7999139912687016
Energy: 0.7978213379509838
Energy: 0.8425479560030845
Energy: 0.8114715788451609
Energy: 0.8055875475014832
Energy: 0.8006510300185757
Energy: 0.8035716335825267
Energy: 0.7984064918115338
Energy: 0.8438151019136633
Energy: 0.8108204681835872
Energy: 0.8052595614192103
Energy: 0.8000728352681129
Energy: 0.8042034281740816
Energy: 0.8018386108076149
Energy: 0.8521044763878761
Energy: 0.80245084108798
Energy: 0.8006377067835899
Energy: 0.8103449781716645
Energy: 0.8086608553846132
Energy: 0.7997405517852104
Energy: 0.8463936114258427
Energy: 0.8093622426987529
Energy: 0.816419231629477
Energy: 0.8303646160427499
Energy: 0.7943221459847366
Energy: 0.8170153455897146
Energy: 0.8415997202556097
Energy: 0.8069896519056907
Energy: 0.8036127630810354
Energy: 0.794174059161774
Energy: 0.8085798588951929
Energy: 0.7916193087629582
Energy: 0.8450774917956662
Energy: 0.7986560609416508
Energy: 0.7975557920566781
Energy: 0.7980680566757166
Energy: 0.7957182229193798
Energy: 0.7953784697426065
Energy: 0.8374876906760567
Energy: 0.7915437205231001
Energy: 0.7968206132081624
Energy: 0.8231881870074427
Energy: 0.7920025456133271
Energy: 0.8188683399635425
Energy: 0.8225504824937411
Energy: 0.7892549140400039
Energy: 0.8044295832438709
Energy: 0.8238577817149604
Energy: 0.8002471533875589
Energy: 0.8017414831620775
Energy: 0.8237540442730387
Energy: 0.8072579111322539
Energy: 0.7999074382566426
Energy: 0.8253889492709912
Energy: 0.807020561506133
Energy: 0.8010566336716493
Energy: 0.8218272804663828
Energy: 0.8106000442227108
Energy: 0.8149236886731197
Energy: 0.7998276268597955
Energy: 0.8270724444247469
Energy: 0.8183719656788674
Energy: 0.8259061517667675
Energy: 0.8079062844195077
Energy: 0.8018954876034206
Energy: 0.8262631747136195
Energy: 0.8071249484121431
Energy: 0.8048194681372745
Energy: 0.8403334940555115
Energy: 0.8085671892096999
Energy: 0.8003838724234535
Energy: 0.8093561617269043
Energy: 0.8042107566343465
Energy: 0.8042780364206319
Energy: 0.8552911795651443
Energy: 0.8154746693087996
Energy: 0.8174922062600662
Energy: 0.8004725202555546
Energy: 0.8240819765944197
Energy: 0.8192954451588706

minimum gb energy = 0.7892549140400039 eV
minimum distance =  2.33322181222411 Angstroms
sigma value = 27


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

Energy: 0.9137903135123263
Energy: 0.8390728889529833
Energy: 0.792278318646934
Energy: 0.7925532969327214
Energy: 0.8035598644052464
Energy: 0.7976270502257209
Energy: 0.9022996934471472
Energy: 0.7994438700793455
Energy: 0.7815100079971881
Energy: 0.7813010202553428
Energy: 0.7983063482899848
Energy: 0.7818045219588919
Energy: 0.8092168201919389
Energy: 0.7975810762031686
Energy: 0.7925956598402671
Energy: 0.7990406861649159
Energy: 0.77274591721434
Energy: 0.7930533237654263
Energy: 0.8249260328836089
Energy: 0.8024527037545564
Energy: 0.8017288595116895
Energy: 0.8238301427864202
Energy: 0.8038639945247628
Energy: 0.7974907523491458
Energy: 0.7719976555530037
Energy: 0.7978947164660442
Energy: 0.7989034626109103
Energy: 0.773016046726209
Energy: 0.8222907691785638
Energy: 0.7989715910047295
Energy: 0.7987671184416859
Energy: 0.7935250438852249
Energy: 0.7916179034594085
Energy: 0.785370103639492
Energy: 0.7967634019416913
Energy: 0.7915593420126599
Energy: 0.829095482468131
Energy: 0.7651882565467112
Energy: 0.7759420908853285
Energy: 0.7970251341430087
Energy: 0.7517612850421603
Energy: 0.7735770533600497
Energy: 0.83409437403314
Energy: 0.7661771158678915
Energy: 0.7932152494609443
Energy: 0.7950648170886854
Energy: 0.7532000799608439
Energy: 0.7935799975204145
Energy: 0.8963199630021483
Energy: 0.7808606947465141
Energy: 0.7839061662955548
Energy: 0.7814206634775149
Energy: 0.8101157699870457
Energy: 0.7830811173174428
Energy: 0.8963233470395858
Energy: 0.7837979973491267
Energy: 0.7827806087356428
Energy: 0.7814520894524816
Energy: 0.7865038355614483
Energy: 0.7832686982327038
Energy: 0.8343650445322726
Energy: 0.7848226743482314
Energy: 0.7982851771107724
Energy: 0.8038441673983868
Energy: 0.773155434166817
Energy: 0.797630013789486
Energy: 0.8151256477762139
Energy: 0.7967052404990849
Energy: 0.7947340195364251
Energy: 0.7975985901118106
Energy: 0.7760208122992004
Energy: 0.7930233121558175
Energy: 0.7521856907134971
Energy: 0.810615746891669
Energy: 0.7687428528308451
Energy: 0.7530816312381363
Energy: 0.8171954157374467
Energy: 0.76938308042146
Energy: 0.7516729042904675
Energy: 0.808687682774934
Energy: 0.8106618868103002
Energy: 0.7538919397373052
Energy: 0.8081981925556284
Energy: 0.7630163811050095
Energy: 0.8157359728980643
Energy: 0.7840390860077474
Energy: 0.782637390408915
Energy: 0.7954632255613059
Energy: 0.7814931273127185
Energy: 0.7821319701925782
Energy: 0.824198927418216
Energy: 0.783791601215862
Energy: 0.7828473793491252
Energy: 0.7814123983916812
Energy: 0.7853643231213077
Energy: 0.780662964303865
Energy: 0.7720326287914075
Energy: 0.7910780919612739
Energy: 0.7859342706795539
Energy: 0.7738163139162659
Energy: 0.7916431895172693
Energy: 0.7857316514028777
Energy: 0.808082059542782
Energy: 0.8018564284642745
Energy: 0.7984727007610217
Energy: 0.7934584226563397
Energy: 0.8047548739049025
Energy: 0.7817712904196749
Energy: 0.8273718219407309
Energy: 0.7663471573152657
Energy: 0.7657353557132227
Energy: 0.8265860614498616
Energy: 0.7520503407375649
Energy: 0.7653675250049052
Energy: 0.8360472424875961
Energy: 0.7660046426336814
Energy: 0.7653409405968177
Energy: 0.7943504980914011
Energy: 0.7521423846096039
Energy: 0.765166031604197
Energy: 0.8777789596264237
Energy: 0.800202684112217
Energy: 0.7986503344690101
Energy: 0.7904041613214289
Energy: 0.8020929392153646
Energy: 0.798912338744646
Energy: 0.7783967165823579
Energy: 0.7928482611950882
Energy: 0.7962230213868225
Energy: 0.7807237417894579
Energy: 0.8178741279852573
Energy: 0.7824553105674938
Energy: 0.8789404829324925
Energy: 0.8004769729495436
Energy: 0.7918098230584252
Energy: 0.810057643718943
Energy: 0.7927822031583883
Energy: 0.7914317327804435
Energy: 0.8388746402992939
Energy: 0.8047732661393755
Energy: 0.8034916060008923
Energy: 0.8004291926243281
Energy: 0.7932757246501203
Energy: 0.8018966770967276
Energy: 0.7943493855462587
Energy: 0.8229569315507177
Energy: 0.7956835756781161
Energy: 0.7786435143839822
Energy: 0.8266353806338186
Energy: 0.7795895073646807

minimum gb energy = 0.7516729042904675 eV
minimum distance =  2.35546779802958 Angstroms
sigma value = 19


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

Energy: 0.8048711485583105
Energy: 0.7515012056946766
Energy: 0.790529680772064
Energy: 0.7914964433008232
Energy: 0.7775345387458589
Energy: 0.7747257939239938
Energy: 0.798183481597214
Energy: 0.7675583489028609
Energy: 0.7736165755888894
Energy: 0.767311940128792
Energy: 0.7785700272742399
Energy: 0.7730722289032913
Energy: 0.7963959332326435
Energy: 0.7709781677151814
Energy: 0.7676622378580854
Energy: 0.7612138278573711
Energy: 0.7691799278584114
Energy: 0.7729938872013452
Energy: 0.7940444306902581
Energy: 0.7717654949071571
Energy: 0.7704208130392569
Energy: 0.7895643821088715
Energy: 0.767749740996569
Energy: 0.7704849746305267
Energy: 0.7798645436018148
Energy: 0.7764807834706376
Energy: 0.77955894039067
Energy: 0.7758426841609495
Energy: 0.7656512371890134
Energy: 0.7796913078257437
Energy: 0.77749757416002
Energy: 0.7708833890335294
Energy: 0.7702521404508285
Energy: 0.769303733433361
Energy: 0.7685136995251085
Energy: 0.7734381406382295
Energy: 0.7791181047856761
Energy: 0.7561290529358345
Energy: 0.756015838703867
Energy: 0.7658474841955696
Energy: 0.7623578085255114
Energy: 0.7614936478505928
Energy: 0.7858733895713879
Energy: 0.7577261777080623
Energy: 0.7711034560287587
Energy: 0.7817637310469197
Energy: 0.7604180273888731
Energy: 0.7718196994407678
Energy: 0.7657470519516781
Energy: 0.7726109102541912
Energy: 0.7684519112337377
Energy: 0.7662079286479103
Energy: 0.7795316927795355
Energy: 0.7682732199597637
Energy: 0.7670986139106318
Energy: 0.7623445625516567
Energy: 0.7599311683510345
Energy: 0.7676019839671903
Energy: 0.7611478065821657
Energy: 0.7596891166681295
Energy: 0.7966290547176826
Energy: 0.7645931153448462
Energy: 0.7629808176308837
Energy: 0.7972066422431187
Energy: 0.7568614573229807
Energy: 0.7627745822119006
Energy: 0.8020348287317148
Energy: 0.7594127867508385
Energy: 0.7652213258851549
Energy: 0.7625748089387887
Energy: 0.7530607423202076
Energy: 0.7633135889038581
Energy: 0.7899997523749626
Energy: 0.7569088788566197
Energy: 0.7513567775288666
Energy: 0.7603442269530893
Energy: 0.7621398197747652
Energy: 0.7524044383256934
Energy: 0.8064066456628011
Energy: 0.7624587972913688
Energy: 0.7621022708719711
Energy: 0.7513046694340889
Energy: 0.7651646792650897
Energy: 0.762493449631013
Energy: 0.8058135818380946
Energy: 0.7578928154080922
Energy: 0.7602425030222261
Energy: 0.7738267420053128
Energy: 0.751761029624088
Energy: 0.7602594457829711
Energy: 0.8105661288997658
Energy: 0.7595990530870103
Energy: 0.7567388794220347
Energy: 0.7510415240340933
Energy: 0.751786047220801
Energy: 0.752321528901194
Energy: 0.7749573682116054
Energy: 0.7610498443100049
Energy: 0.7688552365843492
Energy: 0.7502825121760682
Energy: 0.7738795947859106
Energy: 0.7690293704881289
Energy: 0.791627269461883
Energy: 0.7500990734192452
Energy: 0.7498318789913345
Energy: 0.7470391699734319
Energy: 0.7501514830961548
Energy: 0.7585084347760916
Energy: 0.808296091829537
Energy: 0.7576032383101763
Energy: 0.7597053045176108
Energy: 0.7682251164320365
Energy: 0.7685934190003979
Energy: 0.7636270244004861
Energy: 0.7715722420345322
Energy: 0.7588903202702569
Energy: 0.7603039039637615
Energy: 0.7542209232664563
Energy: 0.7521445431629533
Energy: 0.7633751893775073
Energy: 0.749977865248984
Energy: 0.7630371294571086
Energy: 0.761984727556725
Energy: 0.7514719718115533
Energy: 0.7523532559730118
Energy: 0.7611794658045794
Energy: 0.747605980928524
Energy: 0.7679355377489239
Energy: 0.765330632277163
Energy: 0.7493427605519329
Energy: 0.7652918184789894
Energy: 0.7640783350493381
Energy: 0.7616716068258328
Energy: 0.7543367755731399
Energy: 0.7539027714407197
Energy: 0.7634488192232053
Energy: 0.7791554052406559
Energy: 0.7526294947105725
Energy: 0.7853316282449421
Energy: 0.7537266045420554
Energy: 0.7497721097016983
Energy: 0.7808416167625291
Energy: 0.7445332523386937
Energy: 0.7594297310037332
Energy: 0.7874268077319266
Energy: 0.7666719723871894
Energy: 0.7654048916591906
Energy: 0.7545826077165121
Energy: 0.7735050830652507
Energy: 0.7645956521533651
Energy: 0.7761815660722999
Energy: 0.7698326208695112
Energy: 0.7639475944200932
Energy: 0.7633628797547536
Energy: 0.7681048812332687
Energy: 0.7631564359240708
Energy: 0.8011381690299921
Energy: 0.7729470512409221
Energy: 0.7603513428265027
Energy: 0.7605764144376346
Energy: 0.767198985029826
Energy: 0.7603398639207085
Energy: 0.7985131337611411
Energy: 0.767780669288492
Energy: 0.7676669217155568
Energy: 0.776910911164017
Energy: 0.7668437102402804
Energy: 0.7703155464482309
Energy: 0.7884856306660761
Energy: 0.7918046279878437
Energy: 0.7909668816555766
Energy: 0.7433057900367676
Energy: 0.7914470754946817
Energy: 0.7564909456082662

minimum gb energy = 0.7433057900367676 eV
minimum distance =  2.34309158654339 Angstroms
sigma value = 101


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

Energy: 0.7592930103329129
Energy: 0.7300225010555629
Energy: 0.7522175454466492
Energy: 0.7272404650403789
Energy: 0.7294572719088906
Energy: 0.747834186357914
Energy: 0.7728815912165964
Energy: 0.7290543705652548
Energy: 0.7293646645507831
Energy: 0.726076403560816
Energy: 0.7244796262632142
Energy: 0.7281289439380935
Energy: 0.7699429678720003
Energy: 0.7318641040048443
Energy: 0.7309942300387618
Energy: 0.7635019894974565
Energy: 0.7248580349325451
Energy: 0.7465568566155799
Energy: 0.7587068055498736
Energy: 0.7284350347522098
Energy: 0.7271529645570761
Energy: 0.7359056489338746
Energy: 0.7252486202375573
Energy: 0.7271605242454523
Energy: 0.7462448273378256
Energy: 0.7531754340619529
Energy: 0.7535770817914866
Energy: 0.7573018215005273
Energy: 0.7655707049871395
Energy: 0.7529838352261945
Energy: 0.7429143139891944
Energy: 0.7291904255536843
Energy: 0.7279504750908155
Energy: 0.7414200157865883
Energy: 0.728379492128549
Energy: 0.728033674686762
Energy: 0.7641771229797936
Energy: 0.7249477216947929
Energy: 0.7235253691901313
Energy: 0.75072323964149
Energy: 0.7206303245599812
Energy: 0.7385316822279654
Energy: 0.7300068622560101
Energy: 0.7282761086099645
Energy: 0.7279992998955711
Energy: 0.7397483770334664
Energy: 0.7295213920244672
Energy: 0.7258739092313788
Energy: 0.7237701645496167
Energy: 0.7290322859422421
Energy: 0.7285769838349728
Energy: 0.7248909082660104
Energy: 0.7499073407230538
Energy: 0.7305398209015836
Energy: 0.7280906754986702
Energy: 0.7281901762873593
Energy: 0.7271615470985642
Energy: 0.7258614979007327
Energy: 0.7268266539610582
Energy: 0.7282543063116591
Energy: 0.7626701347287583
Energy: 0.720349691438289
Energy: 0.7359101129463329
Energy: 0.7554447839434665
Energy: 0.7073637755847155
Energy: 0.7348160711657657
Energy: 0.7717464464513463
Energy: 0.7254867309548034
Energy: 0.7296700900867041
Energy: 0.7439689588958794
Energy: 0.7269042115513304
Energy: 0.7296157899480779
Energy: 0.7418128931198456
Energy: 0.7417708961954932
Energy: 0.7410165478764609
Energy: 0.7237075060037048
Energy: 0.7408776130815087
Energy: 0.7266374120399403
Energy: 0.738476937978111
Energy: 0.7313826650145235
Energy: 0.7307815391588635
Energy: 0.7193084776957169
Energy: 0.7297343266415475
Energy: 0.7305899487242988
Energy: 0.7736838741485871
Energy: 0.7367618500322773
Energy: 0.7376644389537269
Energy: 0.765183007895473
Energy: 0.7328787711871003
Energy: 0.7397579313189544
Energy: 0.7695907122218023
Energy: 0.7243649561892053
Energy: 0.7284960535735543
Energy: 0.7301182202403491
Energy: 0.7290151003874505
Energy: 0.7285517999790043
Energy: 0.7423893553393036
Energy: 0.7483447671626162
Energy: 0.7243334620286546
Energy: 0.7053327982344941
Energy: 0.7558505658720781
Energy: 0.7204412951170388
Energy: 0.8072992803692872
Energy: 0.7314738009759635
Energy: 0.730074147139022
Energy: 0.7234273153599763
Energy: 0.7298596270212449
Energy: 0.7246169001107242
Energy: 0.7696723324211505
Energy: 0.7300730337911414
Energy: 0.7253035866878681
Energy: 0.7643415788571242
Energy: 0.7271577954863737
Energy: 0.7262438371783565
Energy: 0.757752649025404
Energy: 0.7316252105952677
Energy: 0.7278713856055992
Energy: 0.7292078403850838
Energy: 0.7237007856983256
Energy: 0.7284887117547049
Energy: 0.7427689682145117
Energy: 0.7289214245777507
Energy: 0.7464361100491426
Energy: 0.7432822365351994
Energy: 0.7288350985460816
Energy: 0.7238291060107414
Energy: 0.7401035840412459
Energy: 0.7304383273682941
Energy: 0.7280980547492181
Energy: 0.7308514699473909
Energy: 0.7288728673995624
Energy: 0.727579642385701
Energy: 0.7468761495356477
Energy: 0.7219110793744475
Energy: 0.7224799682021777
Energy: 0.7398409826825584
Energy: 0.7186067797718867
Energy: 0.7239581880837533
Energy: 0.7488435653292455
Energy: 0.7263488182818465
Energy: 0.7266282455639853
Energy: 0.7421018205145309
Energy: 0.7174643908184448
Energy: 0.7407400184582735
Energy: 0.7265985444363645
Energy: 0.7321501209526281
Energy: 0.7294258125737988
Energy: 0.7287826539500761
Energy: 0.7275848717034191
Energy: 0.7274460921011746
Energy: 0.7242947395528533
Energy: 0.7328829392003248
Energy: 0.7308879709203052
Energy: 0.7280141048365887
Energy: 0.7374675997444593
Energy: 0.7312558602627844
Energy: 0.740884008932879
Energy: 0.7209618024801159
Energy: 0.7229873285539509
Energy: 0.7233099423025847
Energy: 0.7083874416593408
Energy: 0.7255643790775016
Energy: 0.7701503459558022
Energy: 0.7241690844904269
Energy: 0.7257923706672637
Energy: 0.7495555271084677
Energy: 0.707336558822706
Energy: 0.7330267937482032
Energy: 0.7395688375774779
Energy: 0.7327997748441889
Energy: 0.7322956750009709
Energy: 0.7255195070034905
Energy: 0.7518508025023508
Energy: 0.7325597469324754
Energy: 0.7401661426714397
Energy: 0.7326305588955502
Energy: 0.7329441325566426
Energy: 0.7267268623315307
Energy: 0.7272142875206092
Energy: 0.7321642335263836
Energy: 0.76997146480311
Energy: 0.72868455016683
Energy: 0.7334201668560572
Energy: 0.7303869968287426
Energy: 0.7255864095689668
Energy: 0.7341189792386086
Energy: 0.7708329051659512
Energy: 0.7202964095003023
Energy: 0.7265433624615675
Energy: 0.7409154484529505
Energy: 0.7238807671527056
Energy: 0.7270464845074956
Energy: 0.7374380210065175
Energy: 0.7374193256833346
Energy: 0.7245004077735903
Energy: 0.7047175451838058
Energy: 0.7328161023928942
Energy: 0.7236930139736892

minimum gb energy = 0.7047175451838058 eV
minimum distance =  2.35720505022492 Angstroms
sigma value = 33


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

Energy: 0.015447294104661849
Energy: 0.9020237612156372
Energy: 0.016159601644158427
Energy: 0.017161420471370443
Energy: 0.904619858094353
Energy: 0.015940852862021175
Energy: 0.3780118130782167
Energy: 0.10361522034761939
Energy: 0.10235988107985312
Energy: 0.10436005934707643
Energy: 0.10353234419335042
Energy: 0.10207715521856371
Energy: 1.1903010844723707
Energy: 0.9037885951514925
Energy: 0.9026659934827583
Energy: 0.9020158673728457
Energy: 0.9050178292643359
Energy: 0.9023573873582684
Energy: 0.016439329155412838
Energy: 0.10361522034848178
Energy: 0.10235988107985312
Energy: 0.10436005934621402
Energy: 0.10353234419293154
Energy: 0.10207715521942612

minimum gb energy = 0.015447294104661849 eV
minimum distance =  2.52279902215823 Angstroms
sigma value = 1