Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Au__MO_774911580446_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0729350447654715
cohesive_energy=3.930309114047675
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4168416475087818e-19, 2.0537501182928997e-19, 2.56953884207652e-19, 3.0123804637141195e-19, 3.4030552141486793e-19, 3.7528103733508795e-19, 4.0685353008469195e-19, 4.35484426534272e-19, 4.61497366363896e-19, 4.851374825985659e-19, 5.0659222990446e-19, 5.260058041786379e-19, 5.43501573021918e-19, 5.591772692089739e-19, 5.7311460374814e-19, 5.8538727676458e-19, 5.960561709703859e-19, 6.051741581944799e-19, 6.12787701559248e-19, 6.18941662010442e-19, 6.23672889610644e-19, 6.27015030069168e-19, 6.29000126918694e-19, 6.29655417162e-19, 6.289360398533339e-19, 6.265744314948179e-19, 6.222213175802399e-19, 6.154473147716879e-19, 6.057269091332099e-19, 5.924144234813039e-19, 5.747103716756039e-19, 5.51619802026396e-19, 5.21894618935794e-19, 4.83966291479112e-19, 4.358320988638499e-19, 3.7493977371204603e-19, 2.97979219097856e-19, 2.0063417116928399e-19, 7.721514048133259e-20, -7.988548827722039e-20, -2.8095769453824e-19, -5.40132195560616e-19, -8.77137233109444e-19, -1.3200541570488417e-18, -1.90969841712996e-18, -2.70686140137666e-18, -3.80467283099346e-18, -5.3506130651400595e-18, -7.58745992916648e-18, -1.0934166591097379e-17, -1.6156509394919397e-17, -2.4759076395855596e-17, -3.9989367478659594e-17, -6.98055542020728e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013510763267312147
Energy: 0.01641186426636936
Energy: 0.07494470378681582
Energy: 0.07465941994159558
Energy: 0.015887300415277354
Energy: 0.014503381416010626
Energy: 0.07389597089567164
Energy: 0.07550918059483887
Energy: 0.07394519942304173
Energy: 0.015507583435519617
Energy: 0.018490002251722825
Energy: 0.07645532985862064
Energy: 0.0743272107777088
Energy: 0.07450194912453298
Energy: 0.07405499955484718
Energy: 0.07347660504435112
Energy: 0.07655063975362525
Energy: 0.07439654518251505
Energy: 0.45586817873970714
Energy: 0.07437816875588303
Energy: 0.07557841936553857
Energy: 0.016151420346916655
Energy: 0.01385251646150359
Energy: 0.5109147085916163
Energy: 0.45986296731017845
Energy: 0.07474091778690836
Energy: 0.015550123410571813
Energy: 0.013782841460684545
Energy: 0.07287785736794618
Energy: 0.07483398272096554
Energy: 0.07378223703929762
Energy: 0.01428962969541933
Energy: 0.014472668317068376
Energy: 0.07475066916292535
Energy: 0.07308818643387098
Energy: 0.07278971217197415
Energy: 0.014742458887483802
Energy: 0.013977036417970858
Energy: 0.07452450374027111
Energy: 0.48852848155454975
Energy: 0.07384398529713933
Energy: 0.07306296784508683
Energy: 0.07529083914436564
Energy: 0.014865214442655738
Energy: 0.014518675049814939
Energy: 0.46971191357256914
Energy: 0.0746555297622814
Energy: 0.07551603801271123
Energy: 0.015528226349293489
Energy: 0.07315406441723535
Energy: 0.07582473086450141
Energy: 0.45450027626651396
Energy: 0.07394440288956083
Energy: 0.014417677809098793
Energy: 0.017001830342264664
Energy: 0.07465169569202236
Energy: 0.45259083423870605
Energy: 0.07414282686135222
Energy: 0.014800987393826818
Energy: 0.013801010895595758
Energy: 0.01784711657064181
Energy: 0.07462160673931098
Energy: 0.4644372178848531
Energy: 0.07511875335072443
Energy: 0.0754743495020953
Energy: 0.01744947209818485
Energy: 0.07405848102870807
Energy: 0.47326733833897205
Energy: 0.07406054101813339
Energy: 0.0751549863947296

minimum gb energy = 0.013510763267312147 eV
minimum distance =  2.84258379623799 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.8009750406636653
Energy: 0.8484117109692607
Energy: 0.7380709414400569
Energy: 0.7585802695637053
Energy: 0.8571355695166326
Energy: 0.7275340923450583
Energy: 0.8463257864463
Energy: 0.7318252006532608
Energy: 0.7644268490123983
Energy: 0.8923816761985799
Energy: 1.0236188795996233
Energy: 1.030091773856047
Energy: 0.8301148637924172
Energy: 0.831149589736586
Energy: 0.84596485169768
Energy: 0.9281457600921413
Energy: 0.9502153489030098
Energy: 0.8196753333499366
Energy: 0.8579717263012556
Energy: 0.8221480382520102
Energy: 0.7813716086950098
Energy: 0.9836914397540462
Energy: 0.9934769867341503
Energy: 0.7716109209090025
Energy: 0.7633167170143981
Energy: 0.7323175866394189
Energy: 0.9639725179237831
Energy: 1.0003685106152684
Energy: 0.7767952671528762
Energy: 0.7689526963561221
Energy: 0.7756465415218229
Energy: 0.9082153849435066
Energy: 0.9396979819240079
Energy: 0.744702416235013
Energy: 0.7805574153268595
Energy: 0.7583696009173257
Energy: 0.9202620391395377
Energy: 0.9922120618687015
Energy: 0.8235751881292431
Energy: 0.7857070524316919
Energy: 0.9209651493611735
Energy: 0.9255516045412221
Energy: 0.889677830406853
Energy: 0.9240435514166725
Energy: 0.8541741909336408
Energy: 0.9086911533780745
Energy: 0.9313542718451819
Energy: 0.8715119068537441
Energy: 0.9277474570202495
Energy: 0.8018755027206396
Energy: 0.9742027758616603
Energy: 0.810154825150843
Energy: 0.870887407576578
Energy: 0.8611613533726233
Energy: 0.917597289473226
Energy: 0.8842358638468631
Energy: 0.8119403321191598
Energy: 0.8228722033557696
Energy: 0.9203664172927266
Energy: 0.8962576604742114
Energy: 0.8833023533474949
Energy: 0.8775785336769956
Energy: 0.9861993396423743
Energy: 0.843545925503047
Energy: 0.8933422472660039
Energy: 0.8995067686220971
Energy: 0.9122942414400542
Energy: 0.9480384682092683
Energy: 0.8428433955944235
Energy: 0.8928587507736625
Energy: 0.7298947122645801
Energy: 0.8405668757789513
Energy: 1.0185766619394854
Energy: 1.018637774410118
Energy: 0.8749377721421767
Energy: 0.7309105192336363
Energy: 0.8778202298601003
Energy: 0.7983761185170101
Energy: 0.8675148055206565
Energy: 0.8362178608420142
Energy: 0.89309382434453
Energy: 0.8640170362069801
Energy: 0.8520392583978069
Energy: 1.0071108425326933
Energy: 0.9648463830565611
Energy: 0.8599139999635071
Energy: 0.8548052459633121
Energy: 0.776197285381939
Energy: 0.9827571119925065
Energy: 0.9426043420769478
Energy: 1.0062520477184216
Energy: 0.7700901691962446
Energy: 0.7933020303192838
Energy: 0.8260234038916344
Energy: 0.9990648410949388
Energy: 0.8812523966473851
Energy: 0.7681076780097957
Energy: 0.7606581023116649
Energy: 0.842504056728597
Energy: 1.0005443282746544
Energy: 0.9517235971451118
Energy: 0.8037116398044097
Energy: 0.7803923032725916
Energy: 0.9062149894451081
Energy: 0.9497533976761012
Energy: 0.9534803041996988
Energy: 0.777117416495186
Energy: 0.7754578777209981
Energy: 0.9007513952100952
Energy: 0.9468685052972364
Energy: 0.9023467336814532
Energy: 0.9267805951855079
Energy: 0.8875367570543788
Energy: 0.9123011760704595
Energy: 0.8549740207664663
Energy: 0.940384074107939
Energy: 0.8478942370841687
Energy: 0.8794442056932686
Energy: 0.9545532175797462
Energy: 0.8559930136131308
Energy: 0.8081614530311995
Energy: 0.9299298850380245
Energy: 0.8941077418804556
Energy: 0.8066968574338697
Energy: 0.9043068245144108
Energy: 0.8377856562164329
Energy: 0.9384654046985337
Energy: 0.896968573554348
Energy: 0.8041103513653345
Energy: 0.9085009519940013
Energy: 0.8602682578383568
Energy: 0.9644561869873374
Energy: 0.8755967979919165
Energy: 0.8715728858337892
Energy: 0.98084499590915
Energy: 0.8511324910089964
Energy: 0.9047759416343192
Energy: 0.8782586800007682
Energy: 0.889142968291545
Energy: 0.9375136911065078
Energy: 0.7279109846310459
Energy: 0.8630694604258127
Energy: 0.7341026502300215
Energy: 0.7627695531102742
Energy: 0.9373997325164719
Energy: 0.7778595924866091
Energy: 0.856842034551414
Energy: 0.7393459204791436
Energy: 0.7624043139655681
Energy: 0.9317198128835801
Energy: 0.9643273100977295
Energy: 0.9714838444110714
Energy: 0.8121594135879963
Energy: 0.8588453248359087
Energy: 0.8755779307803727
Energy: 0.9998108341433535
Energy: 0.9321527129078504
Energy: 0.8239659979266882
Energy: 0.845826581444526
Energy: 0.8521839338636834
Energy: 0.7473174970843443
Energy: 0.9766887203600166
Energy: 0.8637850543615431
Energy: 0.7894257217326908
Energy: 0.7706647120466508
Energy: 0.8048905251531087
Energy: 0.9613255576133676
Energy: 0.8567881805336621
Energy: 0.7745450583483368
Energy: 0.7630340488697263
Energy: 0.7576103188705495
Energy: 0.869551908497343
Energy: 0.9637294861136886
Energy: 0.8193101254970562
Energy: 0.6981946774763363
Energy: 0.7745780586219381
Energy: 0.8773910321109235
Energy: 0.9611907260227198
Energy: 0.7618549717095311
Energy: 0.7023567632908783
Energy: 0.9050213341988332
Energy: 0.919121949825377
Energy: 0.9303807256815741
Energy: 0.9234720375837939
Energy: 0.8515594066075435
Energy: 0.9207054214513842
Energy: 0.919550204962354
Energy: 0.9340808915626052
Energy: 0.9295237511512768
Energy: 0.8591159161945129
Energy: 0.8681604601088073
Energy: 0.8035628589675345
Energy: 0.8366958982367133
Energy: 0.9212537541096658
Energy: 0.8889703854517097
Energy: 0.8552971691461098
Energy: 0.8111734708376922
Energy: 0.8717004625823583
Energy: 0.7315077353458137
Energy: 0.8997265629271457
Energy: 0.8970478958093216
Energy: 0.914197311387841
Energy: 0.9402523386649121
Energy: 0.7953288775068781
Energy: 0.8971525352800439
Energy: 0.8830754302805899
Energy: 0.8949623221410128
Energy: 0.9854405986384629
Energy: 0.8358148024808251
Energy: 0.871527235304734
Energy: 0.7263690632919981
Energy: 0.8667763047247317
Energy: 1.0144530752379326
Energy: 0.8236220596929626
Energy: 0.8580408858344208
Energy: 0.728815102819774
Energy: 0.8348695811332211
Energy: 1.0228624097870975
Energy: 0.8371183329783284
Energy: 0.8677053958834732
Energy: 0.8529470984280089
Energy: 0.845446227292529
Energy: 0.7961671021856238
Energy: 0.9726853073953342
Energy: 0.9306802520081388
Energy: 0.8753400317931243
Energy: 0.860651993808618
Energy: 0.808972642172551
Energy: 1.0183563195594898
Energy: 0.9364172954594674
Energy: 0.8860667745224504
Energy: 0.7609662296917586
Energy: 0.7285677228028364
Energy: 0.849935258361849
Energy: 0.9994036963141745
Energy: 0.8796179670172773
Energy: 0.7609299276488558
Energy: 0.8081663146928441
Energy: 0.8627315583849802
Energy: 1.000481266016364
Energy: 0.8544027372083062
Energy: 0.7469062785601273
Energy: 0.7680977759851254
Energy: 0.8901574288487251
Energy: 1.0240240160014216
Energy: 0.8669466373046049
Energy: 0.799458552669963
Energy: 0.777993873109986
Energy: 0.9138512875457726
Energy: 0.944993443295083
Energy: 0.9543558777937186
Energy: 0.8441751103205993
Energy: 0.8840160740540747
Energy: 0.9101333237329495
Energy: 0.8589075354457797
Energy: 0.9574181462056536
Energy: 0.8644873244648511
Energy: 0.8878043515886378
Energy: 0.9542760222603878
Energy: 0.9639152560576667
Energy: 0.847994568535172
Energy: 0.7227952900433675
Energy: 0.8664405610026009
Energy: 0.8053082530858118
Energy: 0.8339081003864571
Energy: 0.799664812794885
Energy: 0.9392371193476239
Energy: 0.865893600790505
Energy: 0.8031171491478002
Energy: 0.897632157881548
Energy: 0.8103176411503731
Energy: 0.9137894502314567
Energy: 0.8728838829104618
Energy: 0.8981141382533037
Energy: 0.9110943712807408
Energy: 0.8031787006138185
Energy: 0.9119862942239602
Energy: 0.8848381012835779
Energy: 0.843407789945569
Energy: 0.9818329848263854
Energy: 0.8037121416186119
Energy: 0.8723185034213748
Energy: 0.7365954286992705
Energy: 0.7525510051724756
Energy: 0.9314096276687726
Energy: 0.7313488230543593
Energy: 0.8476528043752503
Energy: 0.7270826323976869
Energy: 0.7612927537184697
Energy: 0.9579844338526328

minimum gb energy = 0.6981946774763363 eV
minimum distance =  2.5817288496365 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.096597738559337
Energy: 0.8031982661306845
Energy: 0.89918094909164
Energy: 0.8564916875983848
Energy: 0.9118443976125147
Energy: 0.9947357862786754
Energy: 0.817573501738489
Energy: 0.8513312732101633
Energy: 0.9010011755987526
Energy: 0.878520618245054
Energy: 0.97846650520161
Energy: 0.9939101955867997
Energy: 0.870929606007915
Energy: 0.7980985003269916
Energy: 0.7718946081695641
Energy: 0.9239750709736891
Energy: 0.9147623947372256
Energy: 0.8821246734448036
Energy: 0.8477173412694287
Energy: 0.8683047376796114
Energy: 0.8967147004329294
Energy: 0.9006817420399611
Energy: 0.8467144962040724
Energy: 0.8197435709940516
Energy: 0.7553995835520149
Energy: 0.8349065652942789
Energy: 0.8881656917859474
Energy: 0.8466800561692134
Energy: 0.8377662488950014
Energy: 0.7446944265466457
Energy: 0.9140211154347275
Energy: 0.9198332280718311
Energy: 0.9483550480256696
Energy: 0.9457236097290491
Energy: 0.7369178677574312
Energy: 0.9093300625674087
Energy: 0.8965293146138243
Energy: 0.9366595375016399
Energy: 0.9170816892178824
Energy: 0.7670562381215924
Energy: 0.9997205396477905
Energy: 0.9408094293901842
Energy: 0.8435492377622112
Energy: 0.8915682976921375
Energy: 0.8766493516539073
Energy: 0.9089604852545373
Energy: 0.9438436281878274
Energy: 0.8401329114265185
Energy: 0.8775801259976879
Energy: 0.9047328398826926
Energy: 0.9018044381468805
Energy: 1.010816958921351
Energy: 0.8452389417626575
Energy: 0.8861016761663096
Energy: 0.8913952505618395
Energy: 0.8911920031264349
Energy: 1.0331727483595217
Energy: 0.8544561528787485
Energy: 0.8747360615342582
Energy: 0.8902120577730956
Energy: 0.8175320602170355
Energy: 0.9394578625630726
Energy: 0.9312951990387752
Energy: 0.8948156204999985
Energy: 0.8310105609541433
Energy: 0.7872607912727663
Energy: 0.932938906575627
Energy: 0.9517758341593855
Energy: 0.9025743754673079
Energy: 0.8070751812666408
Energy: 0.752684536874798
Energy: 0.8492195302613929
Energy: 0.8555842024016431
Energy: 0.846888271192971
Energy: 0.8487549683328673
Energy: 0.7526656510078048
Energy: 0.8421257407248123
Energy: 0.8547872099342176
Energy: 0.8466884855669159
Energy: 0.8365055754512981
Energy: 0.7782559383670818
Energy: 0.9235532953613014
Energy: 0.9411668019996262
Energy: 0.9192517972379667
Energy: 0.9242016689921514
Energy: 0.7895095105100323
Energy: 0.9124090960975233
Energy: 0.8180847793109105
Energy: 0.9164496521156386
Energy: 0.9227631382959767
Energy: 0.9098118149284282
Energy: 1.0256582302786728
Energy: 0.8993902848625478
Energy: 0.8547707196000861
Energy: 0.8637298713414204
Energy: 0.8955742117799053
Energy: 1.005540216214341
Energy: 0.8642342761737477
Energy: 0.8904092544228441
Energy: 0.8798036660697083
Energy: 0.9033032586511428
Energy: 0.8697107406863346
Energy: 1.032142204956364
Energy: 0.8662871816208422
Energy: 0.8607230852210643
Energy: 0.8950412272341189
Energy: 0.8965184097520634
Energy: 1.018039105073209
Energy: 0.8723066107470469
Energy: 0.8595728394424225
Energy: 0.8608059261364198
Energy: 0.8302818148664515
Energy: 0.9720498629487747
Energy: 0.9588693256618787
Energy: 0.8506993319975458
Energy: 0.8124503436659591
Energy: 0.8114320653106633
Energy: 0.946402108912677
Energy: 1.1056122145514136
Energy: 0.866649456787369
Energy: 0.8929665035502612
Energy: 0.7453483415607952
Energy: 0.8496109843502376
Energy: 0.8482225615141488
Energy: 0.9151367225086353
Energy: 0.9128060881862219
Energy: 0.7425166634657172
Energy: 0.84659857592323
Energy: 0.8469486839751991
Energy: 0.9128207631499968
Energy: 0.8867624666884825
Energy: 0.8336563573995018
Energy: 0.9233267903197205
Energy: 0.9287739480927147
Energy: 0.9265501566321744
Energy: 0.8964547421228397
Energy: 0.8648400163255615
Energy: 0.9178601258378333
Energy: 0.9019308376452242
Energy: 0.9156299623183709
Energy: 0.8580027082118662
Energy: 0.9099464347248026
Energy: 1.0259455656897738
Energy: 0.8742438265671943
Energy: 0.8783255796904047
Energy: 0.8651015599189771
Energy: 0.9029259226700067
Energy: 1.0115252686466796
Energy: 0.8782196727462696
Energy: 0.8760131310736673
Energy: 0.8602950173534828
Energy: 0.9037706107195649
Energy: 0.8636264166318413
Energy: 1.026566682363265
Energy: 0.9357329058116203
Energy: 0.8491167721377529
Energy: 0.7923394026782886
Energy: 0.9113686971222047
Energy: 1.0147560539092388
Energy: 0.8922429041086184
Energy: 0.8543933610137984
Energy: 0.8467944190279088
Energy: 0.8338246964409805
Energy: 0.9837797118320176
Energy: 0.8843608015797236
Energy: 0.8694313318685513
Energy: 0.830190784429835
Energy: 0.8213703844605095
Energy: 0.9465001392877066
Energy: 0.9043624083302739
Energy: 0.8831753993662977
Energy: 0.7373964847751175
Energy: 0.7488716880339232
Energy: 0.847421741707108
Energy: 0.8443068680511753
Energy: 0.9183645789352782
Energy: 0.7407026189959829
Energy: 0.7714451050213735
Energy: 0.8502957358151089
Energy: 0.8434826614491169
Energy: 0.9229523146733729
Energy: 0.8855348502128847
Energy: 0.829224278764193
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minimum gb energy = 0.7369178677574312 eV
minimum distance =  2.59000928318493 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.0096633092286937
Energy: 0.8158623769382404
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Energy: 0.7948864678216102
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Energy: 0.7845589824022983
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Energy: 0.9877766375782729
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Energy: 0.7546911952464216
Energy: 0.7306489504261202
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Energy: 0.8988792196023973
Energy: 0.7930343979634336
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Energy: 0.854019002909764
Energy: 0.994805480835869
Energy: 0.8020108067009024
Energy: 0.8097496286116229
Energy: 0.8029977181096596
Energy: 0.9179570118627101
Energy: 0.870707649855459
Energy: 0.8035599425114477
Energy: 0.8227985611794957
Energy: 0.8174816810244049
Energy: 0.8169021701010949
Energy: 0.9398140844439667
Energy: 0.7956470515277652
Energy: 0.8400277208937637
Energy: 0.8198367633934145
Energy: 0.8911185484658595
Energy: 0.8600542666248627
Energy: 0.7925529943197042
Energy: 0.7592241327250168
Energy: 0.9022987739727042
Energy: 1.030996830596777
Energy: 0.7854544726842461
Energy: 0.7946470172627821
Energy: 0.7658947877644213
Energy: 0.8847465160285612
Energy: 1.0288530312862707
Energy: 0.9573824388141459
Energy: 0.7897706432471506
Energy: 0.7704570604815879
Energy: 0.7405561349914054
Energy: 1.0366129225350034
Energy: 0.9250656035063759
Energy: 0.7916604968798492
Energy: 0.7538871109950913
Energy: 0.7594419426681155
Energy: 1.0406899464058492
Energy: 0.8936163290797904
Energy: 0.9862850773694658
Energy: 0.7278118570405108
Energy: 0.7823096672756089
Energy: 0.8567835966608912
Energy: 0.8787812225457139
Energy: 0.9727537125789579
Energy: 0.7385176750945587
Energy: 0.8308564247263386
Energy: 0.8826098210103305
Energy: 0.9133856938679324
Energy: 1.0013224017094655
Energy: 0.9377839486453782
Energy: 0.813294507091971
Energy: 0.8222568782909367
Energy: 0.8907060920687497
Energy: 1.0176290644224895
Energy: 0.9377013008097236
Energy: 0.8116211920934822
Energy: 0.8239416082521479
Energy: 0.821871389905492
Energy: 0.8249467399803962
Energy: 0.7725170066220188
Energy: 0.8869356246164782
Energy: 0.8594029314482383
Energy: 0.856343629376703
Energy: 0.7961463755640115
Energy: 0.763636595656168
Energy: 0.8778558006935332
Energy: 0.9271915266032703
Energy: 1.1047514326281103
Energy: 0.8000933637490463
Energy: 0.7444603694351434
Energy: 0.7261643414470057
Energy: 0.8593744804615623
Energy: 1.0739687582690838
Energy: 0.7358907010994323
Energy: 0.7214240883416249
Energy: 0.7116284520816315
Energy: 1.015134340468928

minimum gb energy = 0.7072102742798464 eV
minimum distance =  2.59336551476541 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.8129651203279721
Energy: 0.9737708359985222
Energy: 0.7566673219517759
Energy: 0.8088499678866776
Energy: 0.946829710955669
Energy: 0.7659682314010712
Energy: 0.9201096731735334
Energy: 0.8008692833869828
Energy: 0.8339241688244327
Energy: 0.9794682364338665
Energy: 0.9676161035734084
Energy: 0.8130911100062025
Energy: 0.7434274493942621
Energy: 0.7008165837614933
Energy: 0.7258329866412193
Energy: 0.943607864296355
Energy: 0.7786493127083043
Energy: 0.7512543993963918
Energy: 0.7199769001541972
Energy: 0.7639217193920435
Energy: 0.8220326768584779
Energy: 0.9034015206015956
Energy: 0.7289915594895723
Energy: 0.7543663917401144
Energy: 0.8020685863001571
Energy: 0.8087192457446201
Energy: 0.9175742530541654
Energy: 0.8060892290909439
Energy: 0.7556907686509158
Energy: 0.8041678265101121
Energy: 0.8892534477060864
Energy: 0.7612164777253128
Energy: 0.7609879315826228
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Energy: 0.7313458730898619
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Energy: 0.8399264661766899
Energy: 0.9203814999192075
Energy: 0.7193066235854013
Energy: 0.7215012939600299
Energy: 0.7161695421659799
Energy: 0.8055139689561768
Energy: 0.999999107931701
Energy: 0.8030805535312537
Energy: 0.6846771183065582
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Energy: 0.8115417878832242
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Energy: 0.7582779458374252
Energy: 0.7559105270550723
Energy: 0.9239914547339363
Energy: 1.0472832991491483
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Energy: 0.7595908107032155
Energy: 0.7212140283097489
Energy: 0.7157156970450403
Energy: 1.0462831461636006
Energy: 0.9243566854209151
Energy: 0.7913991601343291
Energy: 0.7347266919648074
Energy: 0.6982635045165078
Energy: 0.8776735189324527
Energy: 0.8022608405767345
Energy: 0.9757837407418245
Energy: 0.7347022332542973
Energy: 0.7607788054874446
Energy: 0.8876014607332205
Energy: 0.7880544288530174
Energy: 0.8003594357389419
Energy: 0.7346570818206031
Energy: 0.7875382218342583
Energy: 0.836770903388204
Energy: 0.8750878563526833
Energy: 0.9839521118744724
Energy: 0.841114401529445
Energy: 0.8169734916399973
Energy: 0.8532833415867734
Energy: 0.7763758722305892
Energy: 0.9062223966972879
Energy: 0.8279979780591566
Energy: 0.8167471264937867
Energy: 0.8650471703723296
Energy: 0.8232755207981249
Energy: 0.7209198866719121
Energy: 0.697350689397647
Energy: 0.838405913289309
Energy: 0.865336176732459
Energy: 0.8087741025142235
Energy: 0.7332619121468458
Energy: 0.7441478896874698
Energy: 0.7974985594157609
Energy: 0.9167761838364109
Energy: 1.0208792770250967
Energy: 0.7224697933334324
Energy: 0.7517272506236092
Energy: 0.7821772055071807
Energy: 1.0359361703968255
Energy: 1.0210597266862322
Energy: 0.754806040890481
Energy: 0.7584437492639895
Energy: 0.8145832320945747
Energy: 0.7824872908748017
Energy: 0.9523747607172958
Energy: 0.7725899676510779
Energy: 0.6749053643477253
Energy: 0.7646748243080399
Energy: 0.8056983325789653
Energy: 0.9275021637398041
Energy: 0.793295324981301
Energy: 0.6839076783972745
Energy: 0.7589489602496668
Energy: 1.0704524443801522
Energy: 0.7445905125083772
Energy: 0.760783940566519
Energy: 0.8160443609628546
Energy: 0.8003561656470775
Energy: 0.9323037876727234
Energy: 0.7064722748024455
Energy: 0.741299458173108
Energy: 0.7772362075147724
Energy: 0.8080000603031868

minimum gb energy = 0.6749053643477253 eV
minimum distance =  2.59984319009417 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.0538484793335579
Energy: 0.7428920602240808
Energy: 0.7275296897952835
Energy: 0.7168543166573357
Energy: 0.9754436803597264
Energy: 1.0547555312229466
Energy: 0.7362662707352059
Energy: 0.7252419928391703
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Energy: 0.9432610135128454
Energy: 0.9002597688210546
Energy: 0.6292583269235613
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Energy: 0.5928373637047623
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Energy: 0.6279577677513516
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Energy: 0.5921838908554296
Energy: 0.6599004599964621
Energy: 0.6461439195200016
Energy: 0.7098721107855906
Energy: 0.7432058220652729
Energy: 0.6362377789059036
Energy: 0.9747932883645408
Energy: 0.6497585386018054
Energy: 0.731186102818624
Energy: 0.7665919045176267
Energy: 0.6323991483426863
Energy: 0.9586752058630049
Energy: 0.7868446235986506
Energy: 0.7773687022435924
Energy: 0.6256402993502825
Energy: 0.61114607734424
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Energy: 0.785475423200938
Energy: 0.7190250970286928
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Energy: 0.6098094749054696
Energy: 0.8202938260480973
Energy: 0.6459030268659496
Energy: 0.797867923286471
Energy: 0.6030819290844648
Energy: 0.6048498506542541
Energy: 0.8239384434221845
Energy: 0.6502994425560291
Energy: 0.7104175265047085
Energy: 0.6073591596897796
Energy: 0.6052246749585999
Energy: 0.6975993101931629
Energy: 0.7370650388853401
Energy: 0.7276249362126183
Energy: 0.7291735855472367
Energy: 0.8668988339059777
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Energy: 0.8461840186739908
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Energy: 0.7880249670164731
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Energy: 0.6861837375591345
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Energy: 0.6789726369694233
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Energy: 0.6861986348810772
Energy: 0.6361890920205433
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Energy: 0.5917617417380161
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Energy: 0.6083224998475281
Energy: 0.5918439997468855
Energy: 0.9459408588152333
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Energy: 0.6151224742616819
Energy: 0.6511521394777435
Energy: 0.8340658569507082
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Energy: 0.7224527050082438
Energy: 0.6158420243134906
Energy: 0.5967509233732647
Energy: 1.0587667268709242
Energy: 0.9642378293579336
Energy: 0.6544672421590136
Energy: 0.6156016620362269
Energy: 0.6744904461396675
Energy: 1.057100662582124
Energy: 0.9458907697646814
Energy: 0.7721768399477861
Energy: 0.5793385259268844
Energy: 0.5952753829528923
Energy: 0.9520833574749042
Energy: 0.7492605336052626
Energy: 0.7657823925286951
Energy: 0.5785353618287916
Energy: 0.5953685876831114
Energy: 0.8955817748416329
Energy: 0.6648861917692915
Energy: 0.7253141564411971
Energy: 0.6852530960002091
Energy: 0.6737381713833512
Energy: 0.6218449107056009
Energy: 0.6732978841827044
Energy: 0.7261103886613941
Energy: 0.6610589301800173
Energy: 0.7625561426299403
Energy: 0.7006095906947017
Energy: 0.7119965239286675
Energy: 0.7084293342085808
Energy: 0.612392046811621
Energy: 0.8141637042573919
Energy: 0.7191694948009818
Energy: 0.8996000594163854
Energy: 0.7091164336766126
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Energy: 0.7806085884554267
Energy: 0.6215351295834646
Energy: 0.6087949885413009
Energy: 0.7977424359769062
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Energy: 0.7712384109076544
Energy: 0.5954345541201088
Energy: 0.6095795531897749
Energy: 0.7982112324436627
Energy: 0.5909052108912686
Energy: 0.7502173574451595
Energy: 0.8028979829989246
Energy: 0.787590830599879
Energy: 0.8477465358311356
Energy: 0.7029956871943946
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Energy: 0.8024589601501992
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Energy: 0.6815091636504977
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Energy: 0.7694056058265937
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Energy: 0.8149324606987589
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Energy: 0.7936743378154533
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Energy: 0.8475830638870828
Energy: 0.6085318726136947
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Energy: 0.9601805088214694
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Energy: 0.8870152692750445
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Energy: 0.7345294477574666
Energy: 0.7115883375450097
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Energy: 0.6790957836716903
Energy: 0.6532416130753611
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Energy: 0.7396972690179292
Energy: 0.6061195865227844
Energy: 0.6769415139478453
Energy: 0.6812598350947068
Energy: 0.6325687546522453
Energy: 0.6856001259537852
Energy: 0.953695963145784
Energy: 0.5956312573168571
Energy: 0.5766439056160687
Energy: 0.6030877648052625
Energy: 0.6863212145845606
Energy: 0.9500498552109317
Energy: 0.5951582114923111
Energy: 0.5772172347962696
Energy: 0.5981417352239804
Energy: 0.851707843620452
Energy: 0.9368854625815353
Energy: 0.7231346766570929
Energy: 0.7008653362043896
Energy: 0.6409968208639473
Energy: 0.7620237854637888
Energy: 0.9418182157999108
Energy: 0.7229091265680423
Energy: 0.6635843111781559
Energy: 0.6428270028875396
Energy: 0.596321722026671
Energy: 0.678638197750063
Energy: 0.6639844045685007
Energy: 0.6198089881274133
Energy: 0.6464388727184849
Energy: 0.5953841046001187
Energy: 0.6817867419092787
Energy: 0.6620958169193532
Energy: 0.6181321958863049
Energy: 0.5876109548495593
Energy: 0.9843362570163056
Energy: 0.6681789146780348
Energy: 0.6103940726527777
Energy: 0.6064534944434045
Energy: 0.6786875357804995
Energy: 0.9806136179536912
Energy: 0.5898781148951847
Energy: 0.6058998854365137
Energy: 0.6220482503959303
Energy: 0.5980437092045775

minimum gb energy = 0.5766439056160687 eV
minimum distance =  2.6549810655869 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.5473539004770754
Energy: 1.1623411188765163
Energy: 0.4146335117355833
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Energy: 0.3532108407098501
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Energy: 0.39650976773444785
Energy: 0.2941318507054281
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Energy: 0.3307219869682633
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Energy: 0.43511254759509516
Energy: 1.194167178146228
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Energy: 0.31676380581047014
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Energy: 0.43168546133339886
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Energy: 1.1905519053094717
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Energy: 0.36595641624075975
Energy: 0.3396545885575508
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Energy: 0.583780635065636
Energy: 1.1594466158477206
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Energy: 0.40180179981653374
Energy: 0.40185253811170346
Energy: 0.5576919550239454
Energy: 1.1988864124423033
Energy: 0.4901076340462521
Energy: 0.4628650761858372
Energy: 0.4048685148791179
Energy: 0.36154329320720474
Energy: 0.6531223819199687
Energy: 0.45354997904439653
Energy: 0.3651363295798213
Energy: 0.43222743309533956
Energy: 0.5877084193433819
Energy: 0.60098590928256
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Energy: 0.4297965050332153
Energy: 0.4200753956081591
Energy: 1.268153619944972
Energy: 0.5414781956316109
Energy: 0.3046875749278507
Energy: 0.41797832157266146
Energy: 0.3746010897456135
Energy: 1.3160606051101285
Energy: 0.6187939062319059
Energy: 0.4304033409674964
Energy: 0.4324413937652275
Energy: 0.4909070866734824
Energy: 1.1236224900383183
Energy: 0.5376114858939853
Energy: 0.39812220055584824
Energy: 0.4016170341709906
Energy: 0.5118715042034832
Energy: 1.149528667917546
Energy: 0.6426535276587556
Energy: 0.5119560673654637
Energy: 0.440078524887804
Energy: 0.5841076169352588
Energy: 0.8866745621387278
Energy: 0.4230608156050185
Energy: 0.3480718198558207
Energy: 0.3661251953325777
Energy: 0.5240908814705907
Energy: 0.7739941041898294
Energy: 0.5334501153798734
Energy: 0.5474171574659842
Energy: 0.5131258734166374
Energy: 1.1443715786994126
Energy: 1.0987276135677726
Energy: 0.4325486844130469
Energy: 0.3529111945913257
Energy: 0.42797467751128493
Energy: 0.8872725830649782
Energy: 0.7635933447262179
Energy: 0.5474109587315427

minimum gb energy = 0.2941318507054281 eV
minimum distance =  2.66041507882976 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.8910830737503318
Energy: 0.7525618551346734
Energy: 0.6319319480601487
Energy: 0.6126904450746279
Energy: 0.7386198055100285
Energy: 0.891630249692823
Energy: 0.6945593795795237
Energy: 0.6299140759701369
Energy: 0.606024070696068
Energy: 0.7942620728233595
Energy: 0.5334560462391014
Energy: 0.5150304963417077
Energy: 0.5501329272967046
Energy: 0.510918002182808
Energy: 0.5269414312473627
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Energy: 0.521004281145052
Energy: 0.5147509536948102
Energy: 0.5343774701843597
Energy: 0.5342887672073149
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Energy: 0.5216742055342778
Energy: 0.5773030615713173
Energy: 0.7412971274949046
Energy: 0.5337847084529236
Energy: 0.5179378543601637
Energy: 0.5269873656631089
Energy: 0.6385435720412418
Energy: 0.9696812043005606
Energy: 0.799346918357375
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Energy: 0.5640928712095791
Energy: 0.6199566754474763
Energy: 0.9849282245578667
Energy: 0.7292608836316187
Energy: 0.5507950411190689
Energy: 0.5616985329076744
Energy: 0.6662354788906047
Energy: 0.9858786960403714
Energy: 0.5329983314951012
Energy: 0.5786904970609117
Energy: 0.550504695704156
Energy: 0.5679762735324645
Energy: 0.5724784943068232
Energy: 0.5329501831773683
Energy: 0.6574130310009183
Energy: 0.5440443885646633
Energy: 0.6235694374382635
Energy: 0.5742676641047159
Energy: 0.523061160416247
Energy: 0.5507943668312203
Energy: 0.6098428299495858
Energy: 0.9878044821156535
Energy: 0.5643204586698001
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Energy: 0.5586292867476036
Energy: 0.6241371520649163
Energy: 0.993651206696061
Energy: 0.5587278226877797
Energy: 0.6319196469641024
Energy: 0.620470375934491
Energy: 0.5967504989824758
Energy: 0.8772338103381749
Energy: 0.6435015936883464
Energy: 0.6313162797378323
Energy: 0.6213052505855359
Energy: 0.5968745779002967
Energy: 0.8977558357109588
Energy: 0.6411153250177739
Energy: 0.5878750526684121
Energy: 0.669102681589331
Energy: 0.58812408277248
Energy: 0.5290141678149226
Energy: 0.5305362549211511
Energy: 0.5868059478963754
Energy: 0.6090771522244104
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Energy: 0.5312983037253123
Energy: 0.5189985009068158
Energy: 0.6118539097060238
Energy: 0.6710676624262547
Energy: 0.8260077077896707
Energy: 0.8705165010041259
Energy: 0.5551034111918037
Energy: 0.6083295973682316
Energy: 0.6803399984546077
Energy: 0.8228610757421444
Energy: 0.7154181795282398
Energy: 0.5553253981940073
Energy: 0.6049243257039062
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Energy: 0.9310221967261078
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Energy: 0.6967926452579232
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Energy: 0.5479725046627033
Energy: 0.7772717217829415
Energy: 0.6049841756148778
Energy: 0.5504583504426392
Energy: 0.5271088861566725
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Energy: 0.5680857256169515
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Energy: 0.5857039304662631
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Energy: 1.0616214514719462
Energy: 0.6820418925040693
Energy: 0.5558055156249769
Energy: 0.5523826299080097
Energy: 0.8808514627530416

minimum gb energy = 0.490654379945111 eV
minimum distance =  2.65176561449805 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8948978342013711
Energy: 0.8334751997423075
Energy: 0.785483000249036
Energy: 0.7537850230223099
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Energy: 0.7989593566870857
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Energy: 0.8044458237898244
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Energy: 1.0027214443752261
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Energy: 0.7129683090170889
Energy: 1.096773283985438
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Energy: 0.7310622577327303
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Energy: 0.9075538732947949
Energy: 0.9360535949292642
Energy: 0.8423785906789496
Energy: 0.7866983405165815
Energy: 0.7434901417598843
Energy: 0.8231141718914685
Energy: 0.9006725370745409
Energy: 0.800259977393896
Energy: 0.8018072752322114
Energy: 0.713711449886386
Energy: 0.8239454388202453
Energy: 0.7597354352979403
Energy: 0.7812291971513259
Energy: 0.796034233313846
Energy: 0.7142378594546923
Energy: 0.7668220827966713
Energy: 0.8227890255678257
Energy: 0.7670710148736797
Energy: 0.7669992704994503
Energy: 0.7149411387609635
Energy: 0.8892302490971841
Energy: 0.8125382953596764
Energy: 0.7671356384220618
Energy: 0.7450605039143496
Energy: 0.7147471637517543

minimum gb energy = 0.6219653777129609 eV
minimum distance =  2.65095630533318 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.0800138910100534
Energy: 0.987404509856788
Energy: 0.8904962727748136
Energy: 0.8800887683088636
Energy: 1.0097440245515197
Energy: 1.0649513229974932
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Energy: 0.7451936642691549
Energy: 0.7601095817636789
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Energy: 1.0115577525463273
Energy: 0.8788659872296071
Energy: 0.7457527329341505
Energy: 0.7663553583276752
Energy: 0.9458014352154731
Energy: 0.994578056704737
Energy: 0.8531174194496474
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Energy: 0.9493948448819727
Energy: 0.9854708303264252
Energy: 0.9389860942311983
Energy: 0.8366939853664925
Energy: 0.8374352749453644
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minimum gb energy = 0.7378986434121265 eV
minimum distance =  2.59491075719291 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.0720614970997904
Energy: 0.9443536315485581
Energy: 0.7547708610908938
Energy: 0.9195009808216071
Energy: 1.0743357061453902
Energy: 0.9318873857834467
Energy: 0.8599663644879998
Energy: 0.7547570620809417
Energy: 0.9761385557901519
Energy: 0.9159972007659517
Energy: 0.8763715409825622
Energy: 0.9081262221267211
Energy: 0.8923639702880691
Energy: 0.9223849989368715
Energy: 0.9361989779404277
Energy: 0.8933247464803337
Energy: 0.9287275345255029
Energy: 0.8918550671984394
Energy: 0.9581119141751183
Energy: 0.943786570165705
Energy: 0.8859448836834839
Energy: 0.9392041743699883
Energy: 0.9717826507774312
Energy: 0.9281642209463024
Energy: 0.9618638810327924
Energy: 0.8714657424148292
Energy: 0.8961995966434543
Energy: 0.9762684865738603
Energy: 0.934244079965897
Energy: 0.939567135943645
Energy: 0.85526888248906
Energy: 0.99423846762576
Energy: 0.9171506384738078
Energy: 0.8851750695774425
Energy: 0.8743685697644165
Energy: 0.9736153196573679
Energy: 0.9948474458318989
Energy: 0.9274849856003099
Energy: 0.8871778209167798
Energy: 0.8715484976344715
Energy: 0.9942361467479514
Energy: 0.9692524680314547
Energy: 0.8409014867238754
Energy: 0.7907839081799408
Energy: 0.848493800289292
Energy: 0.9524312431291907
Energy: 0.9678848606774275
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Energy: 0.7913899386071421
Energy: 0.855110974497838
Energy: 0.9177736742087431
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Energy: 1.0790988054300867
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Energy: 1.0173100851395251
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Energy: 1.0301093450024967
Energy: 0.8430406006037111
Energy: 0.835219483857027
Energy: 0.8622216273541328
Energy: 1.0203711678631215
Energy: 1.0470393074721775
Energy: 0.8738977518352805
Energy: 0.8361957862446429
Energy: 0.8805426092872107
Energy: 0.9645508816486317
Energy: 0.9308781208846144
Energy: 0.7619621028060584
Energy: 0.841526721214799
Energy: 0.8988313814222217
Energy: 0.9742493075961038
Energy: 0.9341088032188538
Energy: 0.7651541082378547
Energy: 0.7993765703975921
Energy: 1.1181859878884637
Energy: 1.1996808565737964
Energy: 0.9464717976013566
Energy: 0.8875360731093502
Energy: 0.8955398607062448
Energy: 1.1407096516025321
Energy: 1.200269684390028
Energy: 0.904411189632325
Energy: 0.8853550302244647
Energy: 0.8755332539290599
Energy: 0.9983249481106047
Energy: 0.9619808498773292
Energy: 0.9481156326679472
Energy: 0.7537050149609258
Energy: 0.8545240399715353
Energy: 0.9952233506365308
Energy: 0.9491212770351577
Energy: 0.9605867085239891
Energy: 0.7528150557934056
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Energy: 0.9135244445169539
Energy: 0.9443532553738145
Energy: 0.8998174593300335
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Energy: 0.9770147484583487
Energy: 0.9173089735792679
Energy: 0.9360174433229365
Energy: 0.9169183709327832
Energy: 0.8800756026294414
Energy: 0.9646944335414684
Energy: 0.9168124651313513
Energy: 0.9075106135749694
Energy: 0.9437238536959491
Energy: 1.0847727334989397
Energy: 0.9567286809265142
Energy: 0.9127561324036645
Energy: 0.9312014220969278
Energy: 0.9596170692171369
Energy: 1.0275876871618914
Energy: 0.9579948916835248
Energy: 0.814086192788022
Energy: 0.8526884105224626
Energy: 1.0122312259513673
Energy: 1.0546996602497645
Energy: 0.9266886023015789
Energy: 0.8072625952805794
Energy: 0.8556617098151608
Energy: 1.0320888140966802
Energy: 1.0709824428669794
Energy: 0.928751425323883
Energy: 0.8133513790217084
Energy: 0.8742579465566217
Energy: 0.8948882049945431
Energy: 0.8420530347863588
Energy: 0.7909782414250541
Energy: 0.8147307369463075
Energy: 0.8535764870979714
Energy: 0.9292879419166146
Energy: 0.8527886827233725
Energy: 0.7932088983545716
Energy: 0.8668349165726281
Energy: 1.0074779936975133
Energy: 0.9387916607312926
Energy: 0.8408050795688642
Energy: 0.8273786492425526
Energy: 0.9506663755286057
Energy: 1.007282427735891
Energy: 0.9404609981758059
Energy: 0.84341703994772
Energy: 0.8530563240933315
Energy: 1.0476310379485867
Energy: 1.00291904592484
Energy: 0.9540405053234124
Energy: 1.0031624278359628
Energy: 1.0568211105948815
Energy: 0.9829014878794367
Energy: 1.0512495110850577
Energy: 0.9538369135033097
Energy: 1.0171224132053693
Energy: 1.0601719779846521
Energy: 0.9796564783341124
Energy: 0.8014178774320513
Energy: 0.842714070697574
Energy: 0.9492931169948107
Energy: 1.0272472736444498
Energy: 1.006706499575383
Energy: 0.8056314324669087
Energy: 0.8466815653076742
Energy: 0.9888471337513192
Energy: 1.0277473143296096
Energy: 0.8086255914571622
Energy: 0.7595365693228223
Energy: 0.8684425746818516
Energy: 0.956919769621779
Energy: 1.017111822504807
Energy: 0.8376696838444955
Energy: 0.7570541491379356
Energy: 0.8773290279401202
Energy: 0.959991510692816
Energy: 0.9511100146755751
Energy: 0.9059990073900505
Energy: 0.878211999837189
Energy: 0.9459880862296562
Energy: 1.203928510861985
Energy: 1.1030182423330188
Energy: 0.9039989497918695
Energy: 0.8928971778854174
Energy: 0.9674781687222602
Energy: 1.2035805642751294
Energy: 1.0646437702719216
Energy: 0.9189981330975797
Energy: 0.7530422443342303
Energy: 0.9808976208147613
Energy: 0.9478640347948908
Energy: 0.9061462595391495
Energy: 0.8860315929264243
Energy: 0.7539017721668821
Energy: 0.9739941738013637
Energy: 0.9729839677534359
Energy: 0.8908546842206693
Energy: 0.9360495723287412
Energy: 0.9093110323345522
Energy: 0.9804653988035602
Energy: 0.9021247359440356
Energy: 0.8864348768372212
Energy: 0.9041774672474274
Energy: 0.8973507370794573
Energy: 0.9468303582744096
Energy: 0.9423330245774084
Energy: 0.9115662444608625
Energy: 1.0262448930636618
Energy: 0.9833046621501559
Energy: 0.914842060479004
Energy: 0.9213228162304292
Energy: 0.8895660173955356
Energy: 0.9885230614577398
Energy: 0.9762099014004119
Energy: 0.9151559171959871
Energy: 0.9243515107534913
Energy: 0.8745607251566805

minimum gb energy = 0.7474425578668006 eV
minimum distance =  2.61062176924007 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.645022644820125
Energy: 0.64847925620155
Energy: 0.9632473232163132
Energy: 0.9581656208406396
Energy: 0.6480288859865712
Energy: 0.6457776587030996
Energy: 0.8367311021354977
Energy: 0.9632587351659799
Energy: 0.9582188193256154
Energy: 0.6476378121675063
Energy: 0.6491481158674017
Energy: 0.8092841788976571
Energy: 0.6614695812789676
Energy: 0.8632297027851512
Energy: 0.9577040621418528
Energy: 0.9134215372643174
Energy: 0.8088970830514258
Energy: 0.6705191682630782
Energy: 0.8148439643404718
Energy: 0.8635036689142837
Energy: 0.6685308613390842
Energy: 0.8159575062863097
Energy: 0.8092240746197115
Energy: 0.9606266732807843
Energy: 0.7479712631347694
Energy: 0.665183179633777
Energy: 0.8151434482645072
Energy: 0.8093636739908011
Energy: 0.8625052558695964
Energy: 0.9251826966139001
Energy: 0.9609437482049249
Energy: 0.6488606532235327
Energy: 0.6479557787986723
Energy: 0.6650730680127026
Energy: 0.9220569347868817
Energy: 0.9605535484381718
Energy: 0.648099507344728
Energy: 0.647753263164917
Energy: 0.6696065855778089
Energy: 0.6486606528031438
Energy: 0.8165700321466111
Energy: 0.648012479367531
Energy: 0.6471517945956654
Energy: 0.8873884977646942
Energy: 0.6643301624056006
Energy: 0.817361525720667
Energy: 0.64795846682432
Energy: 0.6477485992389794
Energy: 0.6652785209200992
Energy: 0.665558261780533
Energy: 0.9566744945907215
Energy: 0.9639433455196204
Energy: 0.9159234848958904
Energy: 0.661419374840098
Energy: 0.669333111035886
Energy: 0.9564348795791748
Energy: 0.9629610364963674
Energy: 0.8172293073702563
Energy: 0.8735016569633068
Energy: 0.6691110872051163
Energy: 1.0482296588181965
Energy: 0.6498473529122889
Energy: 0.6656667679659939
Energy: 0.8651378014615759
Energy: 0.6647707087523976
Energy: 0.9189529967022393
Energy: 0.6491569700899528
Energy: 0.8185432685981874
Energy: 0.6644971853037088
Energy: 0.8533752638215097
Energy: 1.0483421936595967
Energy: 0.856802427820539
Energy: 0.8635947240644958
Energy: 0.6471182263147406
Energy: 0.6481500385826362
Energy: 1.0484710447225658
Energy: 0.8561786187653879
Energy: 0.7675548442865114
Energy: 0.6468484209506942
Energy: 0.6480909986641131
Energy: 0.8083243527662443
Energy: 0.8176150219845444
Energy: 0.8641387842756241
Energy: 0.6480881822971741
Energy: 0.9094381269671903
Energy: 0.6643740608333033
Energy: 0.8229506757344661
Energy: 0.8458032286638962
Energy: 0.6478747019730294
Energy: 0.901534416292623
Energy: 0.8729596414520665
Energy: 0.6660375785937807
Energy: 0.8551640256594347
Energy: 1.0490512745228195
Energy: 0.8168376333591747
Energy: 0.664213385266909
Energy: 0.6653760540616724
Energy: 0.8553840755339628
Energy: 1.0482526365951057
Energy: 0.8164137637138068
Energy: 0.6487681920829736
Energy: 0.8642034031033429
Energy: 0.7488365259721304
Energy: 0.9194379994434465
Energy: 0.9131308689280139
Energy: 0.6477781140302352
Energy: 0.8650928408570814
Energy: 0.8125845135851291
Energy: 0.9181063150047808
Energy: 0.7713403840609963
Energy: 0.6454105022410849
Energy: 0.8360115266304091
Energy: 0.9629983251899801
Energy: 0.9581759001387314
Energy: 0.6483503887785896
Energy: 0.6459523870012455
Energy: 0.8632916547772
Energy: 0.9631518897122808
Energy: 0.9583099670444389
Energy: 0.6479386632771352
Energy: 0.8392003745843679
Energy: 0.6642478814421451
Energy: 0.6609608726641478
Energy: 0.8630817295431789
Energy: 0.9574973867796408
Energy: 0.9131650351523937
Energy: 0.6639910626884922
Energy: 0.6711114947117112
Energy: 0.8147538596747805
Energy: 0.863707353339399
Energy: 0.6680671762621014
Energy: 0.8160889009169735
Energy: 0.8089243852142192
Energy: 0.9606773636344775
Energy: 0.7478408990518539
Energy: 0.6685582911473903
Energy: 0.8155729311915187
Energy: 0.8088967073485733
Energy: 0.9608737805456296
Energy: 0.9254344261441083
Energy: 0.9609008634743597
Energy: 0.6480264484290988
Energy: 0.6480801318125928
Energy: 0.6653711838347234
Energy: 0.9216635574717892
Energy: 0.9606644201567469
Energy: 0.6483085920534039
Energy: 0.6479212999937695
Energy: 0.6672086701417711
Energy: 0.9257985929025647
Energy: 0.8162398690499718
Energy: 0.6479875294128805
Energy: 0.6474327987669607
Energy: 0.8870914117946431
Energy: 0.665734252687313
Energy: 0.8168713056317658
Energy: 0.647952797467632
Energy: 0.6474563974712876
Energy: 0.8119016785862756
Energy: 0.6661840095508841
Energy: 0.956491489624953
Energy: 0.9640297856071867
Energy: 0.9164225406161725
Energy: 0.661793258609166
Energy: 0.6704385473158334
Energy: 0.9564045992301262
Energy: 0.9632049406247015
Energy: 0.8172498586520591
Energy: 0.8731354016218188
Energy: 0.6695204189934166
Energy: 0.9198220381783399
Energy: 0.6503467678206222
Energy: 0.6643953297526762
Energy: 0.8667383498049169
Energy: 0.6659648238670385
Energy: 0.9188668507154932
Energy: 0.6491491474833697
Energy: 0.6644112901285427
Energy: 0.6671703088486036
Energy: 0.9131908661490578
Energy: 0.9167818462307404
Energy: 0.8565786809941561
Energy: 0.8644238649173102
Energy: 0.6468784707286559
Energy: 0.6481169217294717
Energy: 1.0480325468078626
Energy: 0.8558605538680778
Energy: 0.8649147238521651
Energy: 0.646892257799521
Energy: 0.648364513839213
Energy: 0.8080978015830383
Energy: 0.8171545084002652
Energy: 0.8718929955558564
Energy: 0.6477592487026029
Energy: 0.9095613572340172
Energy: 0.6629083326748105
Energy: 0.8233748658448418
Energy: 0.8450074063307074
Energy: 0.6477361376373835
Energy: 0.8115345548309197
Energy: 0.6638771076621328
Energy: 0.6657482506711193
Energy: 0.8557073054641834
Energy: 1.049249487705781
Energy: 0.8168270438532904
Energy: 0.6647268851821222
Energy: 0.6652197590026594
Energy: 0.8558733569922737
Energy: 0.9214152613345501
Energy: 0.8164439039508168
Energy: 0.648170335327888
Energy: 0.8640618491900752
Energy: 0.7094923467054473
Energy: 0.9187172716318784
Energy: 0.9128185386528394
Energy: 0.6477585374050491
Energy: 0.8647163633731072
Energy: 0.8129020186749666
Energy: 0.9187419926938672
Energy: 0.9129656675072642

minimum gb energy = 0.645022644820125 eV
minimum distance =  2.63681003459304 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.1259392811242257
Energy: 1.0425754052362752
Energy: 0.9995396220298506
Energy: 0.9433855601338939
Energy: 1.088315760004717
Energy: 1.0960346355585713
Energy: 1.0912843766513831
Energy: 0.9922465836510324
Energy: 0.9286778449649139
Energy: 1.0544711461044707
Energy: 0.9475472674869284
Energy: 0.9464818996945743
Energy: 0.7483469418917291
Energy: 0.7944357368414687
Energy: 0.9811056420961113
Energy: 0.9075409671092818
Energy: 0.9261391636971384
Energy: 0.7297549379783567
Energy: 0.845289873194083
Energy: 0.916242306950706
Energy: 0.8944059908894916
Energy: 0.9355290910623396
Energy: 0.8782040067550806
Energy: 0.9340821196920468
Energy: 0.8037637085824625
Energy: 0.9168607685387249
Energy: 0.9393833392898746
Energy: 0.8447717509612187
Energy: 0.923924321401919
Energy: 0.7814905014440355
Energy: 0.8634512983860482
Energy: 0.994925822768465
Energy: 1.0848182266473956
Energy: 0.898477342422914
Energy: 0.7946000152629266
Energy: 0.9117926265887493
Energy: 0.9801103594551437
Energy: 1.1188838157556438
Energy: 0.8923850319048312
Energy: 0.7827186246925996
Energy: 0.9720833526294101
Energy: 1.0748980896162625
Energy: 1.0273214838754523
Energy: 0.9585334927030678
Energy: 0.9446892195759873
Energy: 0.994878726855185
Energy: 1.086513845681725
Energy: 1.1315687840955093
Energy: 0.9533924127003096
Energy: 0.9853160558642335
Energy: 0.93438979525935
Energy: 0.7671417326480828
Energy: 0.9249436535094525
Energy: 0.9371506884267051
Energy: 0.8820030399726662
Energy: 0.9999248403673034
Energy: 0.7475991150155474
Energy: 0.9018879659410644
Energy: 0.9653855395386809
Energy: 0.8837696202268556
Energy: 0.821816976022868
Energy: 0.7268569264882172
Energy: 0.8108992897431303
Energy: 0.9461893352539423
Energy: 0.9729499905866535
Energy: 0.8067858174649032
Energy: 0.7254612092227775
Energy: 0.8522680589530888
Energy: 0.9761087374200228
Energy: 0.9776976528813385
Energy: 0.9176224198090289
Energy: 0.7444567290360126
Energy: 0.976825635076337
Energy: 1.0128682490737209
Energy: 1.0059253512699255
Energy: 0.9386871298227626
Energy: 0.8140894196752007
Energy: 0.9835426103595518
Energy: 1.0042478036367046
Energy: 0.9728014230080125
Energy: 0.9585800909219118
Energy: 0.863374139318771
Energy: 1.0203784393584683
Energy: 1.0315461069124314
Energy: 0.9727917436746398
Energy: 0.9685155434963747
Energy: 0.8634012416055887
Energy: 1.0177241061323257
Energy: 1.015943383411636
Energy: 0.9625407788301298
Energy: 1.0143564116742512
Energy: 0.9396784612982242
Energy: 0.8417958786934884
Energy: 0.7472231896170659
Energy: 0.866765622050237
Energy: 1.0557997160392354
Energy: 0.9344477540158946
Energy: 0.8300514812869213
Energy: 0.7338529265012802
Energy: 0.876409774372342
Energy: 0.9111337389065615
Energy: 0.9827727892555241
Energy: 0.8340410385024899
Energy: 0.7367955291155133
Energy: 0.9178449763994907
Energy: 0.9141111468023904
Energy: 0.9240729776989242
Energy: 0.8413138941755013
Energy: 0.7331083371320731
Energy: 0.9313626120627355
Energy: 0.780960197233846
Energy: 0.9730994297313055
Energy: 0.9429175071069993
Energy: 0.919561076381815
Energy: 0.9805947980753009
Energy: 0.7813171684349176
Energy: 0.9799645106718825
Energy: 0.8820522164863969
Energy: 0.9485522933861006
Energy: 0.97197700343226
Energy: 0.9320024427777527
Energy: 0.9652377420909696
Energy: 1.0336217790021813
Energy: 1.0422607298742579
Energy: 0.9878634189051594
Energy: 0.9288740916219272
Energy: 0.9649060003078236
Energy: 1.1209090077424593
Energy: 1.0598625247511604
Energy: 1.0159416417899618
Energy: 0.7316641242661841
Energy: 0.9115881944786615
Energy: 0.9746845173330624
Energy: 0.9945598761866764
Energy: 0.8906378369696064
Energy: 0.731534594351231
Energy: 0.9091865384764329
Energy: 1.0020350329383767
Energy: 0.9970364785890264
Energy: 0.8631601044292772
Energy: 0.8051595831196645
Energy: 0.8840438976433803
Energy: 0.8488725760330055
Energy: 0.9484439387915231
Energy: 0.9339550300013686
Energy: 0.8099722382903272
Energy: 0.8621956342205567
Energy: 0.8568217769887088
Energy: 0.9511520097311349
Energy: 0.9053947784882379
Energy: 0.9555939692061405
Energy: 0.8466065970283433
Energy: 0.7946481369264484
Energy: 0.9514029464808706
Energy: 0.9989387142714811
Energy: 0.9540353833310236
Energy: 0.8358510859452646
Energy: 0.8305749939468624
Energy: 0.9560506719285106
Energy: 1.0375427786349218
Energy: 1.0222784575336208
Energy: 0.9552377744437847
Energy: 0.9996495227991987
Energy: 1.0159504175501524
Energy: 0.9944867430786305
Energy: 1.0258312354498083
Energy: 0.9337287401957118
Energy: 1.00342023281652
Energy: 1.008704000416732
Energy: 0.9944594518897986
Energy: 0.9259812871360079
Energy: 0.9064440602668975
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Energy: 0.9663288031899866
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Energy: 0.9561993924388534
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Energy: 0.9436436031933747
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Energy: 0.9496798138605537
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Energy: 0.8807656964600065
Energy: 0.8465047283756694
Energy: 0.7325904816612595
Energy: 0.8738806561879185
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Energy: 0.8150681951750635
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Energy: 1.0392275952254668
Energy: 0.8632950312724499
Energy: 0.8958851026373037
Energy: 0.7476782404808745
Energy: 0.8849234167053577
Energy: 1.0423477664545049
Energy: 0.862657259256003
Energy: 0.840689273316818
Energy: 0.7551939181218157
Energy: 0.8888582994589217
Energy: 0.9966967943620362
Energy: 0.9755702626152373
Energy: 0.8438058629162573
Energy: 0.7299007168385488
Energy: 0.8203795481746254
Energy: 0.9766833396181556
Energy: 0.9610712516032565
Energy: 0.8377350322505684
Energy: 0.7438088661847037
Energy: 0.8321853127237892
Energy: 0.7816532982816918
Energy: 0.9730699562679986
Energy: 0.8855617274246261
Energy: 0.9060936486629213
Energy: 0.9784782594324427
Energy: 0.7817796114749201
Energy: 0.9669631751725236
Energy: 0.8749770262284889
Energy: 0.9272666569907365
Energy: 0.9869032064032388
Energy: 0.9292396275615427
Energy: 0.9758798938386921
Energy: 1.0548805103461867
Energy: 1.042890897155093
Energy: 1.0062463124447762
Energy: 0.925081791118167
Energy: 0.9541787587712242
Energy: 1.0416908362566155
Energy: 1.035052822516539
Energy: 1.0093721746126367
Energy: 0.7331690932316886
Energy: 0.9206396330265759
Energy: 1.1332594332455024
Energy: 1.011485359902782
Energy: 0.8677565695425703
Energy: 0.7372397048987694
Energy: 0.9210289322557208
Energy: 1.084210194722782
Energy: 0.9881618864061226
Energy: 0.8302367375969715
Energy: 0.7886728230598575
Energy: 0.9247296852815198
Energy: 0.8717749503494137
Energy: 0.9578879775854214
Energy: 0.8926143452276815
Energy: 0.8071509379333583
Energy: 0.8992673471480687
Energy: 0.8819290249643177
Energy: 0.9532145636522704
Energy: 0.8869959412579573
Energy: 0.951903891453511
Energy: 0.8382698464970194
Energy: 0.7959554247775444
Energy: 0.93720888024781
Energy: 0.9700193695150152
Energy: 0.9944474470799561
Energy: 0.8445759132979062
Energy: 0.8283313165429071
Energy: 0.9386830833219734
Energy: 0.9225491015495184
Energy: 1.1035607175220212
Energy: 0.9388891867686756
Energy: 0.9594974329624831
Energy: 1.0193943143162134
Energy: 0.9925978703771774
Energy: 1.0989292373862682
Energy: 0.9413750027651664
Energy: 0.9669741545665433
Energy: 1.021601428343129
Energy: 0.99290277496809
Energy: 0.9413678554288425
Energy: 0.9070308233495458
Energy: 0.8633724383532562
Energy: 0.9593522964067667
Energy: 0.9079903269119028
Energy: 0.9988607426241671
Energy: 0.8913511004198424
Energy: 0.8651477987240201
Energy: 0.9744175614653282
Energy: 0.8831137215222387
Energy: 0.9104542602590568
Energy: 0.9938339581162681
Energy: 0.9519163084277752
Energy: 0.7483765277542791
Energy: 0.7700839831021731
Energy: 0.9131193872501984
Energy: 0.9861328580306321
Energy: 0.947036823826798
Energy: 0.7407934401834322
Energy: 0.8020721908756383
Energy: 0.9490814500273587
Energy: 1.0069466913740257
Energy: 0.9063892464250661
Energy: 0.8158501627124974
Energy: 0.7486409835929596
Energy: 0.9433339685402822
Energy: 1.0275521085310868
Energy: 0.8755877941332644
Energy: 0.759108776262069
Energy: 0.7526430036291873
Energy: 0.9508071576455583
Energy: 1.0060822683396362
Energy: 0.9644525842213436
Energy: 0.934440359715331
Energy: 0.942228212627916
Energy: 1.0036335663805436
Energy: 0.9817632016986713
Energy: 0.937869129438435
Energy: 0.9386985585080649
Energy: 1.049379656593113
Energy: 0.7746363834705413
Energy: 0.8412995509936585
Energy: 0.9250524004553861
Energy: 0.8601926132103039
Energy: 0.9570265471561377
Energy: 0.7874049485690419
Energy: 0.8600171220191445
Energy: 0.940007113870734
Energy: 0.860897765895475
Energy: 0.9723583269396379
Energy: 0.7586520152245814
Energy: 0.7376510777168842
Energy: 0.9207594024718618
Energy: 0.9877235135255756
Energy: 0.8666489540605328
Energy: 0.7497480309494827
Energy: 0.7671867570737483
Energy: 0.9318025200817721
Energy: 0.9837055571001422
Energy: 0.8662692533971942
Energy: 0.8148753720584174
Energy: 0.7631680945137124
Energy: 0.7880321436136292
Energy: 0.8258624856974296
Energy: 0.8860369991917011
Energy: 0.8143621368380756
Energy: 0.8435542751474383
Energy: 0.7863647618591864
Energy: 0.9838598628426934
Energy: 0.8861122367234754
Energy: 1.1316485788264559
Energy: 1.0306058462702088
Energy: 0.9835548346628179
Energy: 0.9248250833603221
Energy: 1.0274133494610203
Energy: 1.10016772201076
Energy: 1.0095012155331302
Energy: 1.0034160094353592
Energy: 0.9685239328015898
Energy: 1.0322906315328677

minimum gb energy = 0.7254612092227775 eV
minimum distance =  2.60421243193669 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8824887010362583
Energy: 0.9575962698525347
Energy: 1.0090830778401225
Energy: 0.9579362293004058
Energy: 1.1171328904542734
Energy: 0.8831237205807138
Energy: 0.9298772075292168
Energy: 1.012489263695947
Energy: 0.9693442154680821
Energy: 1.0558293870078133
Energy: 0.9298541440056597
Energy: 0.9240116499471382
Energy: 0.8000216807895516
Energy: 0.8392356307841543
Energy: 0.9521292824999734
Energy: 0.8827232863048587
Energy: 0.9165256722949691
Energy: 0.7786382532873317
Energy: 0.9002878708183517
Energy: 0.9822395958308315
Energy: 0.7964447666631612
Energy: 0.8388099819608293
Energy: 0.9304206792564617
Energy: 0.8835733525935007
Energy: 0.7486076898607247
Energy: 0.8129500600590361
Energy: 0.8680861449077988
Energy: 0.9550620573027556
Energy: 0.8828057648820342
Energy: 0.7518153804669149
Energy: 0.7824374711159918
Energy: 0.9202002083121504
Energy: 1.0384380021202209
Energy: 0.858271630577217
Energy: 0.7730973793456147
Energy: 0.7874022312767777
Energy: 0.9288742898079922
Energy: 1.0502253954076388
Energy: 0.8473639319780943
Energy: 0.7706589348203833
Energy: 1.0050069661566445
Energy: 1.0166088974891991
Energy: 0.904984531512576
Energy: 0.9090886417298619
Energy: 0.9717347015831733
Energy: 0.9067640040570153
Energy: 1.0116632463628565
Energy: 0.992268249778203
Energy: 0.9088976270311333
Energy: 0.9783277814492299
Energy: 0.9574952911102591
Energy: 0.8377508813260621
Energy: 0.8891969993482111
Energy: 0.8841478060662109
Energy: 0.8842785812887614
Energy: 0.9547673706865143
Energy: 0.828754407134474
Energy: 0.892589818566668
Energy: 0.8791428391192307
Energy: 0.884110488191609
Energy: 0.8816245512819454
Energy: 0.7802215261561073
Energy: 0.7619430992596444
Energy: 0.9010059439088555
Energy: 0.9246023076510315
Energy: 0.8607891686701667
Energy: 0.7737149829452823
Energy: 0.8137355302111244
Energy: 0.9421433764595877
Energy: 0.9340139693468352
Energy: 0.8963451852486415
Energy: 0.848794977772156
Energy: 0.937444241661988
Energy: 0.8474870615626559
Energy: 0.8759830216121625
Energy: 0.8972299865391014
Energy: 0.8482102421635709
Energy: 0.9369899539374081
Energy: 0.8400518168745523
Energy: 0.9027030310611499
Energy: 0.9433613527348548
Energy: 1.013805420338956
Energy: 0.9546836752964692
Energy: 0.9514818712023735
Energy: 0.9007572558612043
Energy: 0.9329401098061922
Energy: 1.015204704857518
Energy: 0.9526040299572157
Energy: 0.9533014061659503
Energy: 0.902648601686325
Energy: 0.9780441164580305
Energy: 0.9780718059200807
Energy: 0.955616616861794
Energy: 0.938778155752978
Energy: 0.9457093541595586
Energy: 1.0229340962826687
Energy: 0.9779016041870514
Energy: 0.9629674890821547
Energy: 0.9742354219420791
Energy: 0.9432908783796887
Energy: 0.7360730544204857
Energy: 0.8094751276601347
Energy: 0.8781352541314227
Energy: 0.943899794752263
Energy: 0.9325822976547776
Energy: 0.7335596449574391
Energy: 0.8345585014907166
Energy: 0.8793973560914319
Energy: 0.8894464448179822
Energy: 0.9297801039781709
Energy: 0.7391012989448903
Energy: 0.7323397101346573
Energy: 0.8591336997045755
Energy: 0.9730700425438435
Energy: 0.8284518823874646
Energy: 0.7392977755319987
Energy: 0.7593760702678924
Energy: 0.9071110132498906
Energy: 0.9755187390047738
Energy: 0.8088074646779979
Energy: 0.7798696045763255
Energy: 0.9302433961520343
Energy: 0.8578063201961944
Energy: 0.895459855102075
Energy: 0.8931239741937752
Energy: 0.7795892917430293
Energy: 0.9709214039160228
Energy: 0.8499714439758664
Energy: 0.8950487527132307
Energy: 0.9046816102782537
Energy: 1.1419005749846127
Energy: 1.0300683809427484
Energy: 1.022699349769355
Energy: 0.9446174501384323
Energy: 1.0123677232507462
Energy: 1.1419769271043765
Energy: 1.0238573001491433
Energy: 0.9980487874845584
Energy: 0.9460250179209848
Energy: 1.0427886661234789

minimum gb energy = 0.7323397101346573 eV
minimum distance =  2.57137567230587 Angstroms
sigma value = 33