Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.078000083565712
cohesive_energy=3.7893432929779536
mass=196.9665
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=[7.82068878177786e-21, 1.174496409849942e-19, 1.9807068855488397e-19, 2.59502947232346e-19, 3.0889965503519997e-19, 3.500804010589019e-19, 3.85353921833046e-19, 4.1608206749653196e-19, 4.42644553911618e-19, 4.652112118015079e-19, 4.8492279092961e-19, 5.03077054369464e-19, 5.201290202851259e-19, 5.358431687113979e-19, 5.5003364715873595e-19, 5.62609131559002e-19, 5.73537578379516e-19, 5.828302028567159e-19, 5.90520650699916e-19, 5.96664998091306e-19, 6.013225255663439e-19, 6.04563728896926e-19, 6.0645589950168e-19, 6.0707273750577e-19, 6.063549623737379e-19, 6.038091037023119e-19, 5.987606451285779e-19, 5.904197135719739e-19, 5.77852240054878e-19, 5.59959131406366e-19, 5.354362158463619e-19, 5.02897610586456e-19, 4.622407763220719e-19, 4.1427801660664794e-19, 3.6004113319247993e-19, 2.9909112968185198e-19, 2.2933556339076e-19, 1.4811385980078359e-19, 5.206929864602939e-20, -6.351076242475019e-20, -2.0543108801148e-19, -3.8262861937861203e-19, -6.0624761653926e-19, -8.839801295132579e-19, -1.2232794840019739e-18, -1.64450614067028e-18, -2.18451977515998e-18, -2.88901286289612e-18, -3.77854133009292e-18, -4.95059762492928e-18, -6.5994456642776995e-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: 0.011483840646345705
Energy: 0.012195731552499244
Energy: 0.012427477267864728
Energy: 0.01163581874633987
Energy: 0.39041865558117617
Energy: 0.011933879365824334
Energy: 0.012195731552499244
Energy: 0.07213422468350923
Energy: 0.07202047269021106
Energy: 0.07207946741496032
Energy: 0.07196883873402986
Energy: 0.0720710420525835
Energy: 0.012427477268111168
Energy: 0.07202047269864474
Energy: 0.07200948325988013
Energy: 0.012147475430512568
Energy: 0.07199807552226702
Energy: 0.07208736692276062
Energy: 0.011635818746586308
Energy: 0.07207946741545321
Energy: 0.012147475430266128
Energy: 0.011659076097760084
Energy: 0.0719874644795401
Energy: 0.011937372923202955
Energy: 0.390418655572989
Energy: 0.07196883874150518
Energy: 0.07199807551216302
Energy: 0.07198746448531773
Energy: 0.07204824383948269
Energy: 0.07205232177819629
Energy: 0.011933879366070774
Energy: 0.07207104204798331
Energy: 0.07208736693190625
Energy: 0.011937372923202955
Energy: 0.07205232178783479
Energy: 0.012150152862708681

minimum gb energy = 0.011483840646345705 eV
minimum distance =  2.876737526569 Angstroms
sigma value = 1


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

Energy: 1.0475622202026524
Energy: 0.7394298851499169
Energy: 0.7138045998897227
Energy: 0.724137823019085
Energy: 0.7582986996901645
Energy: 0.7480027824776917
Energy: 1.0013485931749784
Energy: 0.7064123559291228
Energy: 0.6830155680986839
Energy: 0.6924283608032311
Energy: 0.7063258443623226
Energy: 0.6905279488137945
Energy: 0.9696518073533367
Energy: 0.6841643545055481
Energy: 0.6685934250435576
Energy: 0.6875954763115089
Energy: 0.7123545564391113
Energy: 0.6798014917202054
Energy: 1.1423167952515274
Energy: 0.7019488894541361
Energy: 0.6931174393662689
Energy: 0.6877241515462419
Energy: 0.7297036567907718
Energy: 0.6937654883079682
Energy: 0.9721902632850902
Energy: 0.6989008498455868
Energy: 0.6885679539817899
Energy: 0.6922705897364716
Energy: 0.6879023788719594
Energy: 0.6887011595768064
Energy: 0.9276705896352134
Energy: 0.697544063350059
Energy: 0.6960677729513581
Energy: 0.6877532694721494
Energy: 0.6994861035187855
Energy: 0.6979416835702944
Energy: 0.9273511980671617
Energy: 0.6971271175703055
Energy: 0.6979435903761673
Energy: 0.6813486209043564
Energy: 0.683867645757624
Energy: 0.697523581471833
Energy: 0.9005894296155046
Energy: 0.6885099780262761
Energy: 0.6883484813984314
Energy: 0.68524388978458
Energy: 0.6856057787869463
Energy: 0.6968530369900819
Energy: 0.7380373231039076
Energy: 0.6884044672825319
Energy: 0.6801344300647533
Energy: 0.7263079767599591
Energy: 0.68898701842096
Energy: 0.6830883448902123
Energy: 0.7404219885865921
Energy: 0.6913341381408373
Energy: 0.6909866549327681
Energy: 0.6881848093743683
Energy: 0.6919594075470945
Energy: 0.6913344427743737
Energy: 0.788069003897801
Energy: 0.6979250035446051
Energy: 0.6971618378499768
Energy: 0.7146075353669666
Energy: 0.6975505322620116
Energy: 0.6972301155693301
Energy: 0.7133871989143769
Energy: 0.6928988185575217
Energy: 0.6962557809799509
Energy: 0.7118183449679728
Energy: 0.6858532925058011
Energy: 0.6811434627478405
Energy: 0.706711230759668
Energy: 0.6905726078662121
Energy: 0.6894288978164059
Energy: 0.7066509175936487
Energy: 0.6910089542230461
Energy: 0.6920283856062579
Energy: 0.8264167112136372
Energy: 0.6998671077167282
Energy: 0.6920451465446048
Energy: 0.7709975682177235
Energy: 0.7000506006279206
Energy: 0.731190340513101
Energy: 0.7179141903960881
Energy: 0.6914010698076519
Energy: 0.6913172403842245
Energy: 0.6949310681884827
Energy: 0.6921292709403508
Energy: 0.687899795817519
Energy: 0.7243236221188101
Energy: 0.6958523498461743
Energy: 0.6702549130887407
Energy: 0.719196914729136
Energy: 0.6887140499915548
Energy: 0.6732028044213506
Energy: 0.8446532356579708
Energy: 0.6941126824171082
Energy: 0.6947136709299484
Energy: 0.6878904153415473
Energy: 0.6799322947337302
Energy: 0.6952533365580202
Energy: 0.8272743161671735
Energy: 0.6903140657183052
Energy: 0.6886137319487413
Energy: 0.6885021483270661
Energy: 0.6883707237777199
Energy: 0.6885879192199689
Energy: 0.8286722483094129
Energy: 0.6901644776625113
Energy: 0.6883300726500754
Energy: 0.6885293785267788
Energy: 0.6897887628792227
Energy: 0.6881305481252393
Energy: 0.9248179987107393
Energy: 0.6897979667048307
Energy: 0.6882662561524682
Energy: 0.6880253757900338
Energy: 0.6885776217950759
Energy: 0.6878220649123765
Energy: 1.0471766639686768
Energy: 0.6751088817780977
Energy: 0.6863014144537272
Energy: 0.7014204533814186
Energy: 0.7128268000117081
Energy: 0.700313426023491
Energy: 0.9363571843021633
Energy: 0.686175558331982
Energy: 0.6779054094874748
Energy: 0.6861231994946111
Energy: 0.7211479737238249
Energy: 0.6703736124933377
Energy: 1.001571415819627
Energy: 0.6946939593125394
Energy: 0.6950204342780221
Energy: 0.6946513868449695
Energy: 0.695224588637471
Energy: 0.6904526691311256

minimum gb energy = 0.6685934250435576 eV
minimum distance =  2.70673902615223 Angstroms
sigma value = 33


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

Energy: 1.24122791159018
Energy: 0.7805344134152302
Energy: 0.7379379009632974
Energy: 0.7608180472172674
Energy: 0.728300483209876
Energy: 0.7720439272887955
Energy: 0.7456923898462461
Energy: 0.708957926935616
Energy: 0.6917162941046784
Energy: 0.7141194095241898
Energy: 0.7147986450390571
Energy: 0.6926243535648076
Energy: 0.7511209725283056
Energy: 0.7148614281426742
Energy: 0.7069754436880684
Energy: 0.7464588251288938
Energy: 0.711698857893846
Energy: 0.7611261413963947
Energy: 0.9419560723489201
Energy: 0.7755445411051359
Energy: 0.7233518660539819
Energy: 0.7317712481923417
Energy: 0.7609242939616757
Energy: 0.7445020037172358
Energy: 0.7612982859053196
Energy: 0.8136920505207966
Energy: 0.7132742259615469
Energy: 0.7149101314810337
Energy: 0.7070490986448229
Energy: 0.7801505718538884
Energy: 0.9589133834501038
Energy: 0.7129773260040195
Energy: 0.7976527834959369
Energy: 0.7734733493319768
Energy: 0.8126058324324283
Energy: 0.7988967555783716
Energy: 0.9587467354360588
Energy: 0.747734842257366
Energy: 0.8006769693710585
Energy: 0.7472034961137071
Energy: 0.7496304993774893
Energy: 0.7569312168887212
Energy: 0.9391230777953371
Energy: 0.7481365459278932
Energy: 0.7506832193923333
Energy: 0.7230006390716774
Energy: 0.748128381679693
Energy: 0.7505139759828569
Energy: 0.7892150130202077
Energy: 0.7474598129049589
Energy: 0.799274750265819
Energy: 0.7889199479232707
Energy: 0.7472030264487924
Energy: 0.759920423842919
Energy: 0.7902835515102092
Energy: 0.7955203781149772
Energy: 0.75560370903688
Energy: 0.7588881335542198
Energy: 0.7575112430963923
Energy: 0.7520566990620072
Energy: 0.8089317529195377
Energy: 0.6885065176887915
Energy: 0.7135603862045025
Energy: 0.809771851538063
Energy: 0.701339515563594
Energy: 0.6848471631298203
Energy: 0.7533070982712314
Energy: 0.724855509117492
Energy: 0.7331459862600184
Energy: 0.7533381856157351
Energy: 0.7003352329952317
Energy: 0.7436152739199495
Energy: 0.749998035786531
Energy: 0.794771334284876
Energy: 0.7919018560596807
Energy: 0.7441907069872705
Energy: 0.7582093207310119
Energy: 0.7560779917264882
Energy: 0.7759289680751076
Energy: 0.7308800110748469
Energy: 0.7457318840459594
Energy: 0.7751368610263495
Energy: 0.7457720237046352
Energy: 0.7452535941775319
Energy: 0.7652332080740706
Energy: 0.8006111742683328
Energy: 0.7986182071037946
Energy: 0.7673899308391312
Energy: 0.7589131577194256
Energy: 0.7566233926170807
Energy: 0.8356131140812353
Energy: 0.7917004973333134
Energy: 0.8001882021511567
Energy: 0.8146358490355958
Energy: 0.807613065862997
Energy: 0.7603917101161107
Energy: 0.7604131567377623
Energy: 0.8011091928219992
Energy: 0.8007583618128565
Energy: 0.8057101014624064
Energy: 0.8130649742925203
Energy: 0.8014854289359146
Energy: 0.8323089499061295
Energy: 0.7985765435907491
Energy: 0.7987454981917832
Energy: 0.748085785162801
Energy: 0.7690040238346755
Energy: 0.7487983110059202
Energy: 0.7963603953760756
Energy: 0.7934217812317823
Energy: 0.8010785551159905
Energy: 0.7479226194373959
Energy: 0.795066748114579
Energy: 0.7921302632683547
Energy: 0.8114988326788465
Energy: 0.7896563596390435
Energy: 0.7884893106971912
Energy: 0.7956682490198818
Energy: 0.7903289412627366
Energy: 0.7951127746794368
Energy: 1.1720606112286502
Energy: 0.7622147903101704
Energy: 0.6846853990338453
Energy: 0.700616098383512
Energy: 0.7696350833381137
Energy: 0.6948170916810732
Energy: 0.9486004160285888
Energy: 0.7771790665494895
Energy: 0.7812913241076579
Energy: 0.7010216589685947
Energy: 0.7869226566097869
Energy: 0.7757247565729743
Energy: 0.8983204707690713
Energy: 0.7881555633998782
Energy: 0.7873837029238543
Energy: 0.7950547989342921
Energy: 0.7864183608117945
Energy: 0.7935030222728101
Energy: 1.0273138159227804
Energy: 0.8821228343089259
Energy: 0.8765239989202894
Energy: 0.7473843721845298
Energy: 0.8743915666758046
Energy: 0.7305519713853659
Energy: 0.8161476598393692
Energy: 0.807668777962143
Energy: 0.8042932470109051
Energy: 0.7960486532961624
Energy: 0.8053390085292123
Energy: 0.795084824635502
Energy: 0.762388598887511
Energy: 0.8019459691481842
Energy: 0.797377128565745
Energy: 0.752590854853299
Energy: 0.8112419584881675
Energy: 0.7971882168047912
Energy: 1.068995900853059
Energy: 0.7503910879979243
Energy: 0.7530302294767186
Energy: 0.8081685867990377
Energy: 0.8171708732110841
Energy: 0.761471966083391
Energy: 0.917297171501227
Energy: 0.7480065878029474
Energy: 0.7487259672573691
Energy: 0.7542169634387268
Energy: 0.7480655183220888
Energy: 0.8032080155505824
Energy: 0.7781389975744282
Energy: 0.747810686345104
Energy: 0.7487316757471425
Energy: 0.7622752255091126
Energy: 0.7480987632031532
Energy: 0.7937177439628962
Energy: 0.7843400989289586
Energy: 0.7550906785403475
Energy: 0.7536870792210825
Energy: 0.755813681822638
Energy: 0.795332434816985
Energy: 0.7570755962028175
Energy: 0.7566974113762994
Energy: 0.7012620365415236
Energy: 0.7011600720675296
Energy: 0.7454826107593503
Energy: 0.7158423999227519
Energy: 0.7236185180884741
Energy: 0.7565213247790425
Energy: 0.6827384596014066
Energy: 0.6831832953874589
Energy: 0.7565028618693281
Energy: 0.725424422556632
Energy: 0.7492594048868174
Energy: 0.7538178843880495
Energy: 0.7512392165797249
Energy: 0.7544914084839806
Energy: 0.7540542486317552
Energy: 0.7917618667067794
Energy: 0.7557050395699776
Energy: 0.7766949923025332
Energy: 0.7459925805397574
Energy: 0.7441919383589611
Energy: 0.7646670991399266
Energy: 0.7476935259306512
Energy: 0.7453623733909426
Energy: 0.7645905293239323
Energy: 0.759137296803326
Energy: 0.7583534924485132
Energy: 0.7798705866493464
Energy: 0.7993833192253061
Energy: 0.8056069647045317
Energy: 0.8295612775949667
Energy: 0.7637242308961255
Energy: 0.7493890325180057
Energy: 0.7718303703197045
Energy: 0.7608907567075922
Energy: 0.7617144755391119
Energy: 0.7910253689330486
Energy: 0.8172652707500367
Energy: 0.7210350786249582
Energy: 0.7259382010214368
Energy: 0.7209618866559785
Energy: 0.7351379170066981
Energy: 0.7917872111605282
Energy: 0.764716971508871
Energy: 0.7123684805777047
Energy: 0.7477395295619201
Energy: 0.7107297697303276
Energy: 0.8080582364263846
Energy: 0.8322006733075147
Energy: 0.7135722623007215
Energy: 0.7134834820769287
Energy: 0.7481478923619619
Energy: 0.7158278790416777
Energy: 0.7495813289853487
Energy: 0.7666206628323822
Energy: 0.7202151533534461
Energy: 0.7170882330999916
Energy: 0.7134568041949902
Energy: 0.7208703127827258
Energy: 0.7213484732559264
Energy: 0.7470216493381362
Energy: 0.7114482284479078
Energy: 0.689255963094987
Energy: 0.680431342730406
Energy: 0.7060006427110153
Energy: 0.7357185713924286

minimum gb energy = 0.680431342730406 eV
minimum distance =  2.67092893453743 Angstroms
sigma value = 51


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

Energy: 1.088013182176787
Energy: 0.8097203137831683
Energy: 0.7880036663510531
Energy: 0.745736512505146
Energy: 0.7885614281366249
Energy: 0.6849014699824477
Energy: 0.9431613234969053
Energy: 0.716923120790309
Energy: 0.7027037228081903
Energy: 0.7060019313106063
Energy: 0.7167798070047572
Energy: 0.7017607240973647
Energy: 0.8964654092676853
Energy: 0.7145780036327367
Energy: 0.7101940581113724
Energy: 0.7269180709895969
Energy: 0.7145631799719674
Energy: 0.712432313672201
Energy: 0.9850276193621086
Energy: 0.6989791064010856
Energy: 0.700794308550372
Energy: 0.7044516123957889
Energy: 0.7233822382145995
Energy: 0.7041714004681201
Energy: 0.8575852660187598
Energy: 0.7214556068446238
Energy: 0.7218779035325892
Energy: 0.7226674450700818
Energy: 0.7219623766066177
Energy: 0.7251721686659317
Energy: 0.8018257549397411
Energy: 0.7210911913659018
Energy: 0.717122253767749
Energy: 0.7214745129573655
Energy: 0.7237449760775676
Energy: 0.7158243892567704
Energy: 0.8018530346161871
Energy: 0.7229125954123858
Energy: 0.7231817087612237
Energy: 0.7217581412212234
Energy: 0.7229146272255437
Energy: 0.7256364034644356
Energy: 0.8097672989981165
Energy: 0.6943819417091652
Energy: 0.6941919199339387
Energy: 0.7620463351053725
Energy: 0.6938437540193787
Energy: 0.6941425872791933
Energy: 0.7146122722264047
Energy: 0.6970490036006463
Energy: 0.696023473618903
Energy: 0.7142410307674993
Energy: 0.7205452150525782
Energy: 0.7105695491688511
Energy: 0.7191934009842337
Energy: 0.7230863847377416
Energy: 0.7397940659366944
Energy: 0.7192409755068678
Energy: 0.7053666674330611
Energy: 0.6984502604497067
Energy: 0.7161862946254587
Energy: 0.7000734324707996
Energy: 0.6976774121568676
Energy: 0.7151116984252763
Energy: 0.6963746914271554
Energy: 0.6963002453518008
Energy: 0.7207567383638341
Energy: 0.7065515667441641
Energy: 0.7235361742825901
Energy: 0.708099923514864
Energy: 0.7198929562355937
Energy: 0.7197469700189104
Energy: 0.7180536037151187
Energy: 0.7107588241846126
Energy: 0.7081956606155391
Energy: 0.720077983524484
Energy: 0.7108861691441959
Energy: 0.7081788695220473
Energy: 0.7203717560294068
Energy: 0.7083585159690687
Energy: 0.7112414694744617
Energy: 0.7180899393640418
Energy: 0.7084768945934878
Energy: 0.7078315953175819
Energy: 0.9346453560560337
Energy: 0.7110319658933982
Energy: 0.71105242647183
Energy: 0.710405309696651
Energy: 0.7109555526759681
Energy: 0.7107265946316434
Energy: 0.8637415592302933
Energy: 0.7178262426655383
Energy: 0.7077181705018919
Energy: 0.7104865163441666
Energy: 0.7175750548790656
Energy: 0.710317440374852
Energy: 0.8577059755122747
Energy: 0.7114067286318257
Energy: 0.71337224192419
Energy: 0.7232194283932125
Energy: 0.7177803909907374
Energy: 0.718149956040362
Energy: 1.068257938897376
Energy: 0.6925369612993063
Energy: 0.6957242138067117
Energy: 0.6929308472601339
Energy: 0.6991274764889019
Energy: 0.7090552625511756

minimum gb energy = 0.6849014699824477 eV
minimum distance =  2.71224623516424 Angstroms
sigma value = 19


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

Energy: 0.8961601101754553
Energy: 0.6391714951144676
Energy: 0.7722974001579866
Energy: 0.6895054178207404
Energy: 0.6310439060243302
Energy: 0.7708457703777406
Energy: 0.6049095877699048
Energy: 0.6264562943633856
Energy: 0.6270595144003629
Energy: 0.6494963874251837
Energy: 0.6262683096791517
Energy: 0.6272852725728572
Energy: 0.732835482031841
Energy: 0.6266358803582049
Energy: 0.6267444391451575
Energy: 0.6577556639108573
Energy: 0.6267410546318963
Energy: 0.6269825454433338
Energy: 0.7459776955510199
Energy: 0.6267547042299472
Energy: 0.6268267244798423
Energy: 0.6376522970559169
Energy: 0.6267357199922103
Energy: 0.6272748828396374
Energy: 0.7113637006483072
Energy: 0.6265376609779527
Energy: 0.649486574840485
Energy: 0.6145923882302172
Energy: 0.626433315174764
Energy: 0.6484014955137732
Energy: 0.7734464785017916
Energy: 0.6049620168431352
Energy: 0.6482658175010407
Energy: 0.6498268614812392
Energy: 0.6048209655103621
Energy: 0.647817027685923
Energy: 0.8111983870442667
Energy: 0.6155077889946294
Energy: 0.6487882374409817
Energy: 0.6490210042027696
Energy: 0.6150439621401311
Energy: 0.6479169437495046
Energy: 0.7619563014257037
Energy: 0.6050562598293405
Energy: 0.604968593499057
Energy: 0.7616173700399123
Energy: 0.605156220404949
Energy: 0.6050644320219087
Energy: 0.6266175187873163
Energy: 0.6056282973759916
Energy: 0.6054723150369791
Energy: 0.6264871530885068
Energy: 0.6065334559705285
Energy: 0.6056884817090367
Energy: 0.6263757471596891
Energy: 0.6488556638636283
Energy: 0.6274823731529399
Energy: 0.6264313991430932
Energy: 0.6151767983716654
Energy: 0.6269117407599144
Energy: 0.6255872854369555
Energy: 0.6877459528185093
Energy: 0.6857445406562944
Energy: 0.6255480408838809
Energy: 0.6378576785692127
Energy: 0.6269857605022789
Energy: 0.7327892647293587
Energy: 0.6495380255015302
Energy: 0.6489893899825238
Energy: 0.6267237860046804
Energy: 0.6152570938079438
Energy: 0.6271412652444444
Energy: 0.6032784900751053
Energy: 0.6489340774672453
Energy: 0.6491824567969053
Energy: 0.6044821207651639
Energy: 0.6488730096059862
Energy: 0.649052840698544
Energy: 0.7339990387281935
Energy: 0.6507008259105969
Energy: 0.6493693700307658
Energy: 0.626717729317042
Energy: 0.649953430690073
Energy: 0.6488651327699921
Energy: 0.6044484429457291
Energy: 0.6279221340618455
Energy: 0.6271686569058554
Energy: 0.6058874517910408
Energy: 0.6265637885318872
Energy: 0.6056064800723037
Energy: 0.9039457179195826
Energy: 0.6276410822419488
Energy: 0.6051949381730996
Energy: 0.6051697275783418
Energy: 0.6275807658723456
Energy: 0.6049977755564006
Energy: 0.7112987954496729
Energy: 0.626583749007872
Energy: 0.626828889450983
Energy: 0.6146762819454088
Energy: 0.6259761558677774
Energy: 0.6278929462396075
Energy: 0.7865870501460331
Energy: 0.6272570245560989
Energy: 0.627147822899462
Energy: 0.6377935976572836
Energy: 0.6274307986847814
Energy: 0.6270852454969288
Energy: 0.7883913646488389
Energy: 0.6272702538395194
Energy: 0.6270834955182202
Energy: 0.6378158183359902
Energy: 0.6275833008047005
Energy: 0.6268688833782885
Energy: 0.7333130686402003
Energy: 0.60486249584311
Energy: 0.6483252355003029
Energy: 0.6265956606733488
Energy: 0.6046870333690356
Energy: 0.6479589960024505
Energy: 0.768457828403502
Energy: 0.6273197187460955
Energy: 0.6490181414117768
Energy: 0.648968859337829
Energy: 0.6262626587870908
Energy: 0.6502928524303389
Energy: 0.7535799862815633
Energy: 0.6154286225848214
Energy: 0.6487554906195598
Energy: 0.6266502807966624
Energy: 0.6150954657860022
Energy: 0.6488507307995933
Energy: 0.6156201416503289
Energy: 0.6053546788487021
Energy: 0.6048646840230454
Energy: 0.6154692177709813
Energy: 0.6051597752017858
Energy: 0.6052408839076581
Energy: 0.6262109696321786
Energy: 0.6482972862850845
Energy: 0.6275394968074676
Energy: 0.6263331520170319
Energy: 0.6364149776203721
Energy: 0.6270170428353767
Energy: 0.6263950448584245
Energy: 0.6493243859931644
Energy: 0.6277316302755985
Energy: 0.6264620753966443
Energy: 0.6156894229149326
Energy: 0.6267762834198392
Energy: 0.6156143716601296
Energy: 0.6377749069062452
Energy: 0.6377192297644714
Energy: 0.6154073785554831
Energy: 0.6376707671954689
Energy: 0.6269196606649671
Energy: 0.7548292678052448
Energy: 0.6490026343913066
Energy: 0.6487082565582563
Energy: 0.6265370067439896
Energy: 0.6149166096648584
Energy: 0.6490575189307722
Energy: 0.6046032710159871
Energy: 0.6483463729921486
Energy: 0.6475119461408966
Energy: 0.6046330369531866
Energy: 0.6492520647715229
Energy: 0.6477314144971897
Energy: 0.7116497636263417
Energy: 0.6483227231111173
Energy: 0.647783933090457
Energy: 0.6149341739569044
Energy: 0.6490369729720813
Energy: 0.6484784621216373
Energy: 0.9039703492433564
Energy: 0.6278048230970447
Energy: 0.6050473080823038
Energy: 0.6051407870249971
Energy: 0.6267495220628291
Energy: 0.6052708910925386

minimum gb energy = 0.6032784900751053 eV
minimum distance =  2.75110498472007 Angstroms
sigma value = 27


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

Energy: 0.7602138477436243
Energy: 0.7490137513463947
Energy: 0.8125893321510348
Energy: 0.6402549167396987
Energy: 0.7326530469893862
Energy: 0.8137357547748685
Energy: 0.6910457019307421
Energy: 0.6749392247506969
Energy: 0.6403846224989259
Energy: 0.6394121526757746
Energy: 0.6931867313955681
Energy: 0.6390435056600656
Energy: 0.6998003654167785
Energy: 0.690662445214601
Energy: 0.6721320446633868
Energy: 0.6741310171351546
Energy: 0.6912695018617593
Energy: 0.639977458863551
Energy: 0.896524173186271
Energy: 0.6868310958108811
Energy: 0.6407061686263174
Energy: 0.6587402323572935
Energy: 0.7249282847326864
Energy: 0.6456545447609471
Energy: 0.8036040255669951
Energy: 0.6094285751240129
Energy: 0.6400370868475354
Energy: 0.6707300539146871
Energy: 0.6102955581982886
Energy: 0.6388400003056388
Energy: 0.6917606689095684
Energy: 0.6102177316109382
Energy: 0.6100776931973794
Energy: 0.6938087507354086
Energy: 0.6153864847925024
Energy: 0.6098201136683172
Energy: 0.6740771279667308
Energy: 0.6602261985488939
Energy: 0.6391505033393456
Energy: 0.674214546163117
Energy: 0.6399970421380656
Energy: 0.6394097747141769
Energy: 0.7252000529594588
Energy: 0.6504451550837668
Energy: 0.6275559896100065
Energy: 0.725063719405861
Energy: 0.6443881602879354
Energy: 0.6808961956745091
Energy: 0.7765023570244973
Energy: 0.6591771263244243
Energy: 0.6564039256070746
Energy: 0.6787140902825191
Energy: 0.6624320491256307
Energy: 0.658768367363127
Energy: 0.6165394282746535
Energy: 0.6434745956255572
Energy: 0.6408139312661965
Energy: 0.649352009834033
Energy: 0.6447847254996791
Energy: 0.6457437886928676
Energy: 0.6999877413459826
Energy: 0.6479288144475696
Energy: 0.6441289957992029
Energy: 0.6761266265695617
Energy: 0.6462337856337381
Energy: 0.6458205621619186
Energy: 0.6910457183168974
Energy: 0.6841325189816925
Energy: 0.6415963745550107
Energy: 0.6409486344005382
Energy: 0.6779940279928726
Energy: 0.6404722625709967

minimum gb energy = 0.6094285751240129 eV
minimum distance =  2.73414196776091 Angstroms
sigma value = 9


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

Energy: 1.0913040266017198
Energy: 0.7362440974785948
Energy: 0.8940748047270922
Energy: 0.7153223351987902
Energy: 0.8636617180628589
Energy: 0.7159638517331687
Energy: 0.5556540501335641
Energy: 0.5987090324284703
Energy: 0.5662998344311447
Energy: 0.571858628705386
Energy: 0.6143636259275215
Energy: 0.5654697005144288
Energy: 0.7704653203753369
Energy: 0.5944902200713965
Energy: 0.5687973042796616
Energy: 0.6053969511460912
Energy: 0.5960670958770309
Energy: 0.5701797499222757
Energy: 0.7666430793101321
Energy: 0.5786269286402118
Energy: 0.5683369361913103
Energy: 0.5757548534880136
Energy: 0.5963942014214411
Energy: 0.5892353657727472
Energy: 0.5978362990868968
Energy: 0.5956411653247078
Energy: 0.5769955609105868
Energy: 0.6556886593131224
Energy: 0.5954256193673233
Energy: 0.5780258935227959
Energy: 0.6356268865062548
Energy: 0.5866527068248232
Energy: 0.5889293826790157
Energy: 0.6458660027931974
Energy: 0.5777344692110631
Energy: 0.6111281052375424
Energy: 0.6667855985392735
Energy: 0.5611355337424075
Energy: 0.5610912880588133
Energy: 0.6610842351070148
Energy: 0.5959440944966394
Energy: 0.5896958977224787
Energy: 0.6811989865474705
Energy: 0.5902953154387857
Energy: 0.5909271784913461
Energy: 0.608214448335316
Energy: 0.6140744969670231
Energy: 0.6359456830529345
Energy: 0.6445129640676454
Energy: 0.5926117802592911
Energy: 0.5914213226079689
Energy: 0.6532786978674293
Energy: 0.6046956328308314
Energy: 0.5929942443459529
Energy: 0.8935737710673302
Energy: 0.6410654109670274
Energy: 0.6287411865162013
Energy: 0.5677241419744012
Energy: 0.6424749785966571
Energy: 0.5840161672471285
Energy: 0.7287661328893678
Energy: 0.6485082054609076
Energy: 0.5863766938660955
Energy: 0.6108214578730033
Energy: 0.6506190784442761
Energy: 0.590173905909098
Energy: 0.6440433971468189
Energy: 0.6556678252647804
Energy: 0.5903782862991601
Energy: 0.5732618456984611
Energy: 0.6610718955190127
Energy: 0.5622356460924494
Energy: 0.9752808990696299
Energy: 0.6383563102612598
Energy: 0.6725507301734058
Energy: 0.6104221477264479
Energy: 0.6380400271252765
Energy: 0.6735455872185242
Energy: 0.6025029541017618
Energy: 0.5901051971968573
Energy: 0.5615498310822489
Energy: 0.5772450802539342
Energy: 0.6363005379282334
Energy: 0.5611047474903617
Energy: 0.5969280873182728
Energy: 0.576018485881861
Energy: 0.5777707553237451
Energy: 0.588502190902376
Energy: 0.5746005128453668
Energy: 0.5978611805299259
Energy: 0.5873963345644103
Energy: 0.5659171490002842
Energy: 0.5683653951738095
Energy: 0.5967302745881089
Energy: 0.6106887731079368
Energy: 0.5641263510965175
Energy: 0.6139699677357973
Energy: 0.577605617158022
Energy: 0.5671819809780345
Energy: 0.6141371723581505
Energy: 0.5774265003593649
Energy: 0.568636373643925
Energy: 0.5983328898354324
Energy: 0.5933374445834863
Energy: 0.5794665329030362
Energy: 0.6080150168709582
Energy: 0.5866954114695071
Energy: 0.6063994029739685
Energy: 0.5967270915479485
Energy: 0.57167490053693
Energy: 0.5679508319403855
Energy: 0.5896157005887227
Energy: 0.5844519616496042
Energy: 0.5612021408935035
Energy: 0.5951967257870429
Energy: 0.5692937179265218
Energy: 0.567302134049667
Energy: 0.5680328835515064
Energy: 0.5680406468432075
Energy: 0.5680942941804554
Energy: 0.5982464929471658
Energy: 0.5632708524692609
Energy: 0.566880296931963
Energy: 0.5822890537848139
Energy: 0.5862332569470396
Energy: 0.5754979850438952
Energy: 0.6375328333391291
Energy: 0.6092632627015764
Energy: 0.609479143607132
Energy: 0.5932728441894712
Energy: 0.6086839967778053
Energy: 0.5946602218410579
Energy: 0.6686362939029561
Energy: 0.6047056198757988
Energy: 0.603039929677857
Energy: 0.5934820706473901
Energy: 0.6082001495649614
Energy: 0.5399306719554002
Energy: 0.5972059772984888
Energy: 0.5947043834078709
Energy: 0.5637134809292043
Energy: 0.6183076703949166
Energy: 0.5977569420914212
Energy: 0.5664169076556143
Energy: 0.7478541425243348
Energy: 0.5890789581392146
Energy: 0.5994420633421662
Energy: 0.6670250293885616
Energy: 0.5884906602456687
Energy: 0.6003773399831273
Energy: 0.5970807741747338
Energy: 0.5733365147721537
Energy: 0.5609336739113605
Energy: 0.6600942955598706
Energy: 0.5735773419621746
Energy: 0.566939975736946
Energy: 0.6241820531411555
Energy: 0.6443458358270465
Energy: 0.6255398622728411
Energy: 0.621956632670343
Energy: 0.6084545430032448
Energy: 0.5896351172172817
Energy: 0.6652644563518803
Energy: 0.5607597580188707
Energy: 0.5622954942736847
Energy: 0.660322037585632
Energy: 0.5736588982081783
Energy: 0.5620590457160801
Energy: 0.6423105350024787
Energy: 0.5928371403891942
Energy: 0.5897558908432947
Energy: 0.6437536835933199
Energy: 0.5889964951372954
Energy: 0.6153661026200099
Energy: 0.5903645313698503
Energy: 0.5828323080229997
Energy: 0.6085807354419499
Energy: 0.6064991785553987
Energy: 0.5732586884839109
Energy: 0.6337965857822049
Energy: 0.5546543020120751
Energy: 0.6353057723107268
Energy: 0.5924360639580543
Energy: 0.609364409729098
Energy: 0.642212977715006
Energy: 0.5898393163373441
Energy: 0.8951865991927287
Energy: 0.6371399950570298
Energy: 0.603820785150662
Energy: 0.5690568376672356
Energy: 0.6372103882113118
Energy: 0.5814265263008943
Energy: 0.6026954932278683
Energy: 0.6471360536097127
Energy: 0.5898769526566737
Energy: 0.6234872974494047
Energy: 0.6408844714690024
Energy: 0.5611521182565867
Energy: 0.7722943155356663
Energy: 0.6453482648171127
Energy: 0.5900776278292866
Energy: 0.5852990837106798
Energy: 0.6446299442971236
Energy: 0.6130995329852221
Energy: 0.5973452474261962
Energy: 0.662305622359314
Energy: 0.5917487913713247
Energy: 0.6047177857812588
Energy: 0.6608830499271394
Energy: 0.5623821787490013
Energy: 0.5973017263589732
Energy: 0.5804343634720033
Energy: 0.5884644209578455
Energy: 0.6093186930908882
Energy: 0.5818424810252851
Energy: 0.5773352889908724
Energy: 0.5948647632881324
Energy: 0.58404498987129
Energy: 0.5774774613402053
Energy: 0.5875090696361153
Energy: 0.5838317528177505
Energy: 0.5695838517194924
Energy: 0.6093760502968901
Energy: 0.5646810714251507
Energy: 0.5649672237593379
Energy: 0.6091174961385184
Energy: 0.5633808044578573
Energy: 0.5840586657012611
Energy: 0.7204922610782066
Energy: 0.6753775086813714
Energy: 0.6481072101897957
Energy: 0.7207524539580822
Energy: 0.6280323155328182
Energy: 0.6614288308827317
Energy: 0.6001953237122875
Energy: 0.5641758564011241
Energy: 0.5633746344293876
Energy: 0.608164931538585
Energy: 0.5626436021153192
Energy: 0.5665225653035639
Energy: 0.5929242118696455
Energy: 0.577100910643891
Energy: 0.5740820604697189
Energy: 0.5662488886447467
Energy: 0.5750100868652226
Energy: 0.570486193273766
Energy: 0.5973672601204671
Energy: 0.5669379647398163
Energy: 0.5713409837845563
Energy: 0.5748850847920759
Energy: 0.569063364400625
Energy: 0.5614234217441515
Energy: 0.6687670926564144
Energy: 0.5709040560143294
Energy: 0.5690764855801449
Energy: 0.5934293201286042
Energy: 0.6085749479468829
Energy: 0.5384328453086747

minimum gb energy = 0.5384328453086747 eV
minimum distance =  2.736894824975 Angstroms
sigma value = 57


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

Energy: 0.2844186686701953
Energy: 0.29236394662099946
Energy: 0.2942193552466311
Energy: 0.2869116185373892
Energy: 0.32094914649065703
Energy: 0.3250102769286319
Energy: 0.2860912484368655
Energy: 0.3070195813102572
Energy: 0.3090543338829155
Energy: 0.32082713129778767
Energy: 0.321119697945781
Energy: 0.31984951109797505
Energy: 0.3509162325317596
Energy: 0.33561945296824014
Energy: 0.3073049379486829
Energy: 0.3216398421649972
Energy: 0.3212972851367707
Energy: 0.30988031691607726
Energy: 0.35092109704915064
Energy: 0.32339679779351727
Energy: 0.3067464328695214
Energy: 0.3225328858389254
Energy: 0.35181249868013675
Energy: 0.3452748525924702
Energy: 0.3465209309429306
Energy: 0.28700977594790844
Energy: 0.3070765460855198
Energy: 0.349486717581436
Energy: 0.286161201047943
Energy: 0.3095423878388839
Energy: 0.3206091643053365
Energy: 0.2865943598468331
Energy: 0.2875880443432314
Energy: 0.30387115335507114
Energy: 0.28565937390262386
Energy: 0.3055554990503572
Energy: 0.31517491582589147
Energy: 0.30537206353857144
Energy: 0.30990631961220094
Energy: 0.31622639173286893
Energy: 0.3051985427923786
Energy: 0.31278295133959305
Energy: 0.3202113146356021
Energy: 0.3056219732297154
Energy: 0.30624787797650294
Energy: 0.3204861558753381
Energy: 0.304130606444272
Energy: 0.3067767796735467
Energy: 0.3468193872201182
Energy: 0.32665979712378496
Energy: 0.31192146418482913
Energy: 0.3493311218430038
Energy: 0.32189267333954147
Energy: 0.3077120920645558
Energy: 0.2858216120790864
Energy: 0.3367232323718788
Energy: 0.31443795112656353
Energy: 0.2856720470036279
Energy: 0.32122055298632435
Energy: 0.3058890717605502
Energy: 0.2857972351051088
Energy: 0.30443068185688726
Energy: 0.3076102844966209
Energy: 0.285860404873254
Energy: 0.30488174137991036
Energy: 0.30657854579254434
Energy: 0.3506009586473493
Energy: 0.3241784090427794
Energy: 0.3079133817748009
Energy: 0.321276711909412
Energy: 0.3210987972251556
Energy: 0.31322385735467556
Energy: 0.3511237924814478
Energy: 0.35154770096568155
Energy: 0.36692893112064046
Energy: 0.3025719132974212
Energy: 0.351050123433467
Energy: 0.34115697828078484
Energy: 0.3476823621082337
Energy: 0.3236305963353645
Energy: 0.33827610420598125
Energy: 0.32275575891396086
Energy: 0.32121631103906567
Energy: 0.3110810481261644
Energy: 0.3512468451185656
Energy: 0.286113622393603
Energy: 0.28706979600972926
Energy: 0.35128612657535163
Energy: 0.28702533551893145
Energy: 0.3056125101513659
Energy: 0.32006026206208843
Energy: 0.3347834450522193
Energy: 0.3110077020755193
Energy: 0.3206404544103214
Energy: 0.2857508071789949
Energy: 0.31158598372340435
Energy: 0.3205889413218614
Energy: 0.33501889497311343
Energy: 0.3118822353715262
Energy: 0.3207656074156626
Energy: 0.3227020435587795
Energy: 0.309090078462565
Energy: 0.35043870670638533
Energy: 0.30554226744259494
Energy: 0.33726938145567853
Energy: 0.35084985907398714
Energy: 0.3037272210972695
Energy: 0.30732264787931485
Energy: 0.2858037377939965
Energy: 0.30520708741232855
Energy: 0.30802467693974517
Energy: 0.2861158776770786
Energy: 0.3238787585419154
Energy: 0.3119556212292287

minimum gb energy = 0.2844186686701953 eV
minimum distance =  2.79016060072612 Angstroms
sigma value = 11


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

Energy: 0.8667456894963428
Energy: 0.6618214087331696
Energy: 0.5080433380240139
Energy: 0.7622039213905982
Energy: 0.568718838703443
Energy: 0.5585429533100822
Energy: 0.47984524262354106
Energy: 0.49670982487225307
Energy: 0.49098514576892044
Energy: 0.4710184678134488
Energy: 0.47279353386214334
Energy: 0.49995400677453206
Energy: 0.4734679502873299
Energy: 0.483605501737807
Energy: 0.4800049043678477
Energy: 0.4792243882613108
Energy: 0.4814900308718981
Energy: 0.5024487133917163
Energy: 0.47342022295239405
Energy: 0.5053548347785453
Energy: 0.4897378429540604
Energy: 0.4791786270563786
Energy: 0.4778458966522084
Energy: 0.5009853828083184
Energy: 0.4719348357347353
Energy: 0.5259136204708093
Energy: 0.5218374163169901
Energy: 0.479480283062048
Energy: 0.6285678293802639
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Energy: 0.5044830384103347
Energy: 0.6573553198807545
Energy: 0.6487920876133652
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Energy: 0.5056394670328781
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Energy: 0.5100204257911597
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Energy: 0.5410716847732541
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Energy: 0.5353965337950013
Energy: 0.513125426560355
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Energy: 0.5654300510653367
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Energy: 0.5381401892397112
Energy: 0.5132894302389861
Energy: 0.5426617890052643
Energy: 0.5399850715455371
Energy: 0.8271205903439114
Energy: 0.7159066102460698
Energy: 0.714962721418561
Energy: 0.61797620258153
Energy: 0.7159004626183211
Energy: 0.6681518369346006
Energy: 0.8357439720564128
Energy: 0.5471452867793184
Energy: 0.5404155537181916
Energy: 0.489727535227258
Energy: 0.5280718355048245
Energy: 0.5382747610133203
Energy: 0.6588966722022492
Energy: 0.6474834420237621
Energy: 0.7451133118450838
Energy: 0.6499869336896664
Energy: 0.7384023354155929
Energy: 0.7452280175536599
Energy: 0.8471102773331387
Energy: 0.5338245643434464
Energy: 0.5406686644799812
Energy: 0.4894749234207446
Energy: 0.5062002740400767
Energy: 0.5416200881431882
Energy: 0.689181900096543
Energy: 0.5129388637129654
Energy: 0.5238352975347552
Energy: 0.47886701517419794
Energy: 0.4735527884642484
Energy: 0.5178828368624031
Energy: 0.5703675621111703
Energy: 0.6795958844932727
Energy: 0.6810604197117718
Energy: 0.5745803624869913
Energy: 0.6854700515339515
Energy: 0.6811290809662935
Energy: 0.6874484479149509
Energy: 0.5310489818688403
Energy: 0.530177541189516
Energy: 0.48657256483862876
Energy: 0.5443031385469415
Energy: 0.5200949667204976
Energy: 0.5795085152637721
Energy: 0.7381028215931145
Energy: 0.7363611650548968
Energy: 0.6184530217117901
Energy: 0.7575849830360795
Energy: 0.5666893228697304
Energy: 0.4687324170231781
Energy: 0.5230703406346088
Energy: 0.5206759358067519
Energy: 0.46911926652864566
Energy: 0.5066797496120448
Energy: 0.5133018882293816
Energy: 0.5428493591860525
Energy: 0.5931036209982701
Energy: 0.5428944228802939
Energy: 0.5439364000711835
Energy: 0.5731910217641919
Energy: 0.542683843716454
Energy: 0.5350327055273508
Energy: 0.4807878009633493
Energy: 0.5018612170734221
Energy: 0.5354707498778789
Energy: 0.47864104970727184
Energy: 0.49965153649802047
Energy: 0.8825036998972191
Energy: 0.47253799627861837
Energy: 0.520626621273648
Energy: 0.642070836998767
Energy: 0.4799456992309425
Energy: 0.5279937118551752

minimum gb energy = 0.46231980371279185 eV
minimum distance =  2.7319978555667 Angstroms
sigma value = 41


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

Energy: 0.8481190362038102
Energy: 0.9892533888008993
Energy: 0.9888826690436621
Energy: 0.7339413892499569
Energy: 0.6628738485379987
Energy: 0.7338327439527723
Energy: 0.5326100238683961
Energy: 0.5453927600305224
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Energy: 0.522171756128427
Energy: 0.5203813889284374
Energy: 0.5395930521423655
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Energy: 0.5308353573227355
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Energy: 0.5217286182923759
Energy: 0.5354607239247399
Energy: 0.5380180295675268
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Energy: 0.5311780688860706
Energy: 0.5286366075288959
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Energy: 0.5265769067100876
Energy: 0.5311677901947943
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Energy: 0.543830227106126
Energy: 0.5726714453773101
Energy: 0.6139715279980255
Energy: 0.6167175376645111
Energy: 0.5318022390025542
Energy: 0.7712492915673789
Energy: 0.6174854618198663
Energy: 0.5760840401569854
Energy: 0.5322523252026747
Energy: 0.5299212208255173
Energy: 0.5212718288913801
Energy: 0.5301094477577153
Energy: 0.5293543266770309
Energy: 0.534480974527878
Energy: 0.6375783018714803
Energy: 0.6380306017065541
Energy: 0.5495522503327003
Energy: 0.6374502797971154
Energy: 0.5042786155184487
Energy: 0.5740522194367192
Energy: 0.5300045323345927
Energy: 0.533655963922791
Energy: 0.5457547396779556
Energy: 0.533903624701357
Energy: 0.5368726695667909
Energy: 0.6718450214636708
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Energy: 0.6381856167703588
Energy: 0.6141968926233762
Energy: 0.6359252457355659
Energy: 0.5388229740439376
Energy: 0.6721209167377427
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Energy: 0.5390301105944114
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Energy: 0.5344114222991972
Energy: 0.8418005224167071
Energy: 0.5019390421239608
Energy: 0.5037866056681042
Energy: 0.6386089108917434
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Energy: 0.5388515660082042
Energy: 0.6358219828925454
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Energy: 0.5375137145024397
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Energy: 0.629183406330812
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Energy: 0.519805246503558
Energy: 0.533832809378802
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Energy: 0.5302237961427586
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Energy: 0.5169638133047113
Energy: 0.4983688330714894
Energy: 0.7243418249778762
Energy: 0.5172257259355555
Energy: 0.7301747557999706
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Energy: 0.5347846995986524
Energy: 0.5422639615873799
Energy: 0.5054459115701795
Energy: 0.518975260316248
Energy: 0.5067281918602511
Energy: 0.5213083566379022
Energy: 0.5330610313447532
Energy: 0.5311549661580002
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Energy: 0.5316000226851904
Energy: 0.529251394743288
Energy: 0.5214915653195045
Energy: 0.5319138899149917
Energy: 0.5280373095392206
Energy: 0.5318953844409328
Energy: 0.5318545411518615
Energy: 0.5314029948264057
Energy: 0.5205082376944508
Energy: 0.529809425882602
Energy: 0.535356673845536
Energy: 0.5199042507123781
Energy: 0.5314507338868336
Energy: 0.5312422974758683
Energy: 0.9328491356165716
Energy: 0.6157804778075534
Energy: 0.6129729095382775
Energy: 0.8714309127145132
Energy: 0.613103576340347
Energy: 0.6128152198762801
Energy: 0.5743691697840729
Energy: 0.5295454449269088
Energy: 0.530416385941565
Energy: 0.5325325048238982
Energy: 0.533304290231748
Energy: 0.5305054393118804
Energy: 0.5344540131078245
Energy: 0.6220243789331829
Energy: 0.625569323944085
Energy: 0.5501081616387048
Energy: 0.6228796486278306
Energy: 0.5047564141543859
Energy: 0.5754088063428516
Energy: 0.5302678327447111
Energy: 0.5293313663270816
Energy: 0.539938144890849
Energy: 0.533132814960634
Energy: 0.537473134804582
Energy: 0.733206595790002
Energy: 0.5350541329781079
Energy: 0.5383653865433189
Energy: 0.6142285668670524
Energy: 0.5279015352613007
Energy: 0.5351341783494061
Energy: 0.671576033866282
Energy: 0.636918876201779
Energy: 0.6364799315908173
Energy: 0.6140960026634147
Energy: 0.6479802722960973
Energy: 0.5405232604410279
Energy: 0.7336782413068242
Energy: 0.5037639756354381
Energy: 0.5345507002900188
Energy: 0.528856401773047
Energy: 0.511005107962132
Energy: 0.5382823918969741
Energy: 0.6273918287555378
Energy: 0.7394825522944262
Energy: 0.7390119355009488
Energy: 0.6359350153915472
Energy: 0.7329292527123518
Energy: 0.7389508262453293
Energy: 0.5155924558466749
Energy: 0.5373494100786924
Energy: 0.5369252012222588
Energy: 0.518098713412352
Energy: 0.531160674052018
Energy: 0.5339473014748646
Energy: 0.6362815692439712
Energy: 0.6257509985484566
Energy: 0.6300483929893537
Energy: 0.6361707190587436
Energy: 0.6499397190080316
Energy: 0.6280129252242269
Energy: 0.5201673493183194
Energy: 0.5373808372695166
Energy: 0.5335938985751979
Energy: 0.5297739949760306
Energy: 0.5300770659172
Energy: 0.5295493667932805
Energy: 0.8713593267240898
Energy: 0.521134358756956
Energy: 0.5045767679656551
Energy: 0.7246478183105365
Energy: 0.520351220918688
Energy: 0.5052633576901985

minimum gb energy = 0.4983688330714894 eV
minimum distance =  2.7612732744702 Angstroms
sigma value = 33


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

Energy: 0.7050787899650425
Energy: 0.8917258076185476
Energy: 0.8915677215780146
Energy: 0.5521570949640036
Energy: 0.7501068959090013
Energy: 0.892093037961467
Energy: 0.5929264242817246
Energy: 0.5644023706472518
Energy: 0.5783410472326925
Energy: 0.5806749447635001
Energy: 0.5733676490342909
Energy: 0.5864829540013663
Energy: 0.5740884451709305
Energy: 0.5695167729999914
Energy: 0.5680837934368375
Energy: 0.5751273319859871
Energy: 0.5741578870457197
Energy: 0.5659954726526264
Energy: 0.5739466532903742
Energy: 0.5761695820215845
Energy: 0.5713724782105216
Energy: 0.5757293948240395
Energy: 0.5782733760350033
Energy: 0.5675541854436049
Energy: 0.5727441734514465
Energy: 0.5449444621206228
Energy: 0.5595857623592861
Energy: 0.5725158954856484
Energy: 0.5476415176664294
Energy: 0.5685322807941473
Energy: 0.7408212056046862
Energy: 0.5471725103382089
Energy: 0.55011139896783
Energy: 0.573963320738798
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Energy: 0.5507867241435693
Energy: 0.5970450486172999
Energy: 0.5517858028509862
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Energy: 0.5727950442335243
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Energy: 0.5956719037239775
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Energy: 0.5480583038607376
Energy: 0.5502825222055625
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Energy: 0.5474768567533237
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Energy: 0.5482661889302338
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Energy: 0.5487026731144867
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Energy: 0.5691410532659282
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Energy: 0.5499998525062966
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Energy: 0.5498462518747523
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Energy: 0.5479480997382623
Energy: 0.5489824934023588
Energy: 0.7429926190995213
Energy: 0.553737443256394

minimum gb energy = 0.5432853009001614 eV
minimum distance =  2.73045234248392 Angstroms
sigma value = 67


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

Energy: 0.8115629230267148
Energy: 0.5788160210608163
Energy: 0.578691016020015
Energy: 0.5794358125783198
Energy: 0.6428873438616874
Energy: 0.5789976679077031
Energy: 0.7304119911187829
Energy: 0.6158054155926671
Energy: 0.6142873456555182
Energy: 0.7029711455398038
Energy: 0.6301730334404775
Energy: 0.6102415064192709
Energy: 0.6571950779852567
Energy: 0.5787984877585747
Energy: 0.6202474702715627
Energy: 0.6356725711996288
Energy: 0.5784580068914813
Energy: 0.6222784182528401
Energy: 0.6312107502013715
Energy: 0.6184041625773338
Energy: 0.6320495712792452
Energy: 0.6194848838486725
Energy: 0.6343151657805594
Energy: 0.6342539738735254
Energy: 0.6482120058524008
Energy: 0.6191445015437332
Energy: 0.6345623085214821
Energy: 0.6469979265309624
Energy: 0.6193332095293353
Energy: 0.6368644365430033
Energy: 0.6409201621451402
Energy: 0.6040418106848277
Energy: 0.6276876851905127
Energy: 0.6409121871493157
Energy: 0.6025953838409335
Energy: 0.6325949127900757
Energy: 0.7305978761081217
Energy: 0.6183287388011812
Energy: 0.6163303071455049
Energy: 0.6445797935840764
Energy: 0.6252186564337596
Energy: 0.6139009558832541

minimum gb energy = 0.5784580068914813 eV
minimum distance =  2.74928845115566 Angstroms
sigma value = 3


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

Energy: 0.8532212946937113
Energy: 0.8568824525865578
Energy: 0.7583524119806309
Energy: 0.7879630825380394
Energy: 0.8615510104345031
Energy: 0.7542572239756903
Energy: 0.6979446849571435
Energy: 0.6883738667554351
Energy: 0.6923558604824493
Energy: 0.7104763422477542
Energy: 0.7045865697205799
Energy: 0.6894826519728876
Energy: 0.7341626717878743
Energy: 0.7099101540118994
Energy: 0.71582220521862
Energy: 0.7325645649442991
Energy: 0.7083388932940791
Energy: 0.7244368994994027
Energy: 0.6889556123067101
Energy: 0.6943530027919459
Energy: 0.6907368876486609
Energy: 0.689430176521179
Energy: 0.7026494146627023
Energy: 0.6827640732584566
Energy: 0.6844442917003258
Energy: 0.6999198499244565
Energy: 0.6991630365338614
Energy: 0.6854327989359688
Energy: 0.700264871768942
Energy: 0.7012358992728664
Energy: 0.721806873391569
Energy: 0.7053335186436618
Energy: 0.709135283799251
Energy: 0.7061215080292274
Energy: 0.70517500703282
Energy: 0.7039006104150479
Energy: 0.6724861415838025
Energy: 0.6935315242418192
Energy: 0.6962960822164362
Energy: 0.7213647517875145
Energy: 0.7128526401523121
Energy: 0.7043259618222253
Energy: 0.9445997365064268
Energy: 0.771705375323565
Energy: 0.7896965737990933
Energy: 0.726131385841363
Energy: 0.891940854874954
Energy: 0.7450635219174344
Energy: 0.7399197375440858
Energy: 0.693905314398348
Energy: 0.6951770420704976
Energy: 0.7473504993048209
Energy: 0.7120555434202535
Energy: 0.7044580095061389
Energy: 0.8421751098956807
Energy: 0.7216591334284277
Energy: 0.7216948001762612
Energy: 0.7543816637952394
Energy: 0.6921835049513178
Energy: 0.7057336791741285
Energy: 0.7475476090840271
Energy: 0.6938760959169799
Energy: 0.7058392149256606
Energy: 0.7434783973374997
Energy: 0.7147645809467645
Energy: 0.6982109867886133
Energy: 0.7364183574206211
Energy: 0.7045715793969207
Energy: 0.6946789158458738
Energy: 0.7020245649406237
Energy: 0.7031865276245471
Energy: 0.6959725953181668
Energy: 0.6882531500891645
Energy: 0.6972310028831807
Energy: 0.6980974236083245
Energy: 0.6954796315748419
Energy: 0.6972325790219996
Energy: 0.7003783859211706
Energy: 0.7207876951028898
Energy: 0.6721141503160947
Energy: 0.6823571937849784
Energy: 0.7058868645250158
Energy: 0.6864939933446662
Energy: 0.6813189930059025
Energy: 0.8594466907369211
Energy: 0.7426352552732282
Energy: 0.7578143993866194
Energy: 0.7090458854657504
Energy: 0.7439464197434172
Energy: 0.7295147086708559
Energy: 0.8036274004988399
Energy: 0.6772537057165426
Energy: 0.6847567440816352
Energy: 0.7522395021536398
Energy: 0.7012996252903905
Energy: 0.6798939653822998
Energy: 0.8538230473455802
Energy: 0.7376603179262301
Energy: 0.766122575669352
Energy: 0.8545881738138259
Energy: 0.6980981379647555
Energy: 0.7203145836998346
Energy: 0.7255100802411671
Energy: 0.702800051572945
Energy: 0.6937511138105225
Energy: 0.7040240202748415
Energy: 0.7372087294991945
Energy: 0.6946097314771057
Energy: 0.7087144966125954
Energy: 0.7340246741662952
Energy: 0.6855095882435226
Energy: 0.6845741873061568
Energy: 0.7213085676334222
Energy: 0.6803725596660115
Energy: 0.7477230743802205
Energy: 0.6972610975638048
Energy: 0.6818285855980037
Energy: 0.6880228275109009
Energy: 0.7024822458628144
Energy: 0.6893865813109633
Energy: 0.7165840939112533
Energy: 0.6924980198612041
Energy: 0.6949119128822064
Energy: 0.6937692468249138
Energy: 0.6762324986837578
Energy: 0.6939722695554321
Energy: 0.751346335353058
Energy: 0.7042667648873696
Energy: 0.6980107414540895
Energy: 0.6964996721398098
Energy: 0.7123374071023523
Energy: 0.6979726241264785
Energy: 0.7085059272188533
Energy: 0.6903298956455325
Energy: 0.6900954352759455
Energy: 0.70975976059825
Energy: 0.6900454600017685
Energy: 0.6942219920622763
Energy: 0.6915855763326859
Energy: 0.7346610975240456
Energy: 0.7349328288879197
Energy: 0.7069355839446226
Energy: 0.6761180004405939
Energy: 0.7074450020908227
Energy: 0.7062970248208406
Energy: 0.691909936755039
Energy: 0.7023231768975488
Energy: 0.710844696500291
Energy: 0.7030988486567933
Energy: 0.7070212364125825
Energy: 0.7793547654698753
Energy: 0.6742244367202486
Energy: 0.6852904359774208
Energy: 0.676307832822407
Energy: 0.7243012805637934
Energy: 0.7026079642530594
Energy: 0.6618699203184994
Energy: 0.6854581206346556
Energy: 0.6814804560232036
Energy: 0.686824299232905
Energy: 0.6783103142524967
Energy: 0.7080659976763233
Energy: 0.7078369860570066
Energy: 0.7029423471871084
Energy: 0.7030180920128429
Energy: 0.708079678224576
Energy: 0.7057847072001574
Energy: 0.7066622728365931
Energy: 0.7210620948230746
Energy: 0.7245058007941209
Energy: 0.724002331941121
Energy: 0.7136437476070474
Energy: 0.708998329040563
Energy: 0.718080500583658
Energy: 0.6859469786203278
Energy: 0.7000863767706151
Energy: 0.6860155481699504
Energy: 0.6891802557314846
Energy: 0.6878168522477273
Energy: 0.6841065441324509
Energy: 0.736536502113349
Energy: 0.716208825538157
Energy: 0.7149568270905784
Energy: 0.7137675625819936
Energy: 0.7260387156592567
Energy: 0.716253287227293
Energy: 0.7035875669258522
Energy: 0.7114244027502785
Energy: 0.7048779685246945
Energy: 0.7054747164605633
Energy: 0.6972868931267195
Energy: 0.7034573698453827
Energy: 0.79118649364882
Energy: 0.7299029071038399
Energy: 0.6942753361478898
Energy: 0.6981803248684503
Energy: 0.7211250354119209
Energy: 0.6997239252576369
Energy: 0.6776580070984123
Energy: 0.692546587332965
Energy: 0.6892558777684993
Energy: 0.6705151489285102
Energy: 0.7008218558769491
Energy: 0.6940889658589219
Energy: 0.7257722907384236
Energy: 0.7015517073050607
Energy: 0.7066590235874108
Energy: 0.7133350228133618
Energy: 0.7284488002316094
Energy: 0.7029225989844661
Energy: 0.7687804898017868
Energy: 0.6990315770454475
Energy: 0.7358229155478737
Energy: 0.7241644055929468
Energy: 0.6918640713971403
Energy: 0.7051775532522272
Energy: 0.7490099017669827
Energy: 0.6905354318629956
Energy: 0.6916059655729125
Energy: 0.7500034131985358
Energy: 0.6931031743719758
Energy: 0.6930152921742381
Energy: 0.803548427544274
Energy: 0.7049306007292696
Energy: 0.7083225904464331
Energy: 0.6966443466209811
Energy: 0.705059293143214
Energy: 0.7110483384696477
Energy: 0.7211917017841404
Energy: 0.6754222062826362
Energy: 0.6701523818201418
Energy: 0.7060597034232117
Energy: 0.6728584141885846
Energy: 0.6928555522129166
Energy: 0.7104481870533191
Energy: 0.7101267219592367
Energy: 0.7120653300027997
Energy: 0.7145229515258367
Energy: 0.7087543398962082
Energy: 0.6886846361955437
Energy: 0.742330656058928
Energy: 0.6981940583018689
Energy: 0.6842129257567517
Energy: 0.7034833674005607
Energy: 0.7420415209180212
Energy: 0.6868454138927658
Energy: 0.7525633296953901
Energy: 0.7004947216429086
Energy: 0.6928297360911668
Energy: 0.739204599702463
Energy: 0.6829750243173429
Energy: 0.6883281038934052
Energy: 0.8399394492081502
Energy: 0.6990505601496486
Energy: 0.7145808699914927
Energy: 0.8291212823492103
Energy: 0.6986260244234976
Energy: 0.6899955275793652
Energy: 0.8099335444636877
Energy: 0.6856137882579927
Energy: 0.6871377410939989
Energy: 0.8032332735483575
Energy: 0.7069242578338553
Energy: 0.6877305055652333
Energy: 0.7887549302972309
Energy: 0.737264695871545
Energy: 0.7661717320181234
Energy: 0.7341915049629226
Energy: 0.745749012435067
Energy: 0.7660664209913677
Energy: 0.7020174354681021
Energy: 0.6872685338675086
Energy: 0.6897078702523991
Energy: 0.690505124462646
Energy: 0.7072175855460453
Energy: 0.6851767522732665
Energy: 0.7510846715054963
Energy: 0.6888755611887132
Energy: 0.6889504715774737
Energy: 0.693062103717263
Energy: 0.6905383448427774
Energy: 0.6899769810114555
Energy: 0.7066700324086991
Energy: 0.6895678026402874
Energy: 0.6899916201528042
Energy: 0.6959169456602465
Energy: 0.6867290099781627
Energy: 0.6884861475878047
Energy: 0.7077102980264777
Energy: 0.6827301567562918
Energy: 0.6892935792924876
Energy: 0.7084158782359876
Energy: 0.6763386891460679
Energy: 0.6977198289281596
Energy: 0.737399041492949
Energy: 0.6803104260661096
Energy: 0.7075289319182321
Energy: 0.7352268840537121
Energy: 0.6818980117123213
Energy: 0.6986069428774903
Energy: 0.6898646840137544
Energy: 0.6865050756551785
Energy: 0.6876663803778594
Energy: 0.7408920651714269
Energy: 0.7390425189548956
Energy: 0.686288828297827

minimum gb energy = 0.6618699203184994 eV
minimum distance =  2.71935641744791 Angstroms
sigma value = 81


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

Energy: 1.1239737294465262
Energy: 0.8020899423100555
Energy: 0.8027428299703862
Energy: 0.8074657553582445
Energy: 0.777595652773825
Energy: 0.8047116297390157
Energy: 0.6565674571687349
Energy: 0.6757175612490517
Energy: 0.6759067717218661
Energy: 0.6946395197554517
Energy: 0.6770612432955303
Energy: 0.6778476381520075
Energy: 0.7621181926705991
Energy: 0.6692098360651059
Energy: 0.668159396738673
Energy: 0.7327164536276014
Energy: 0.6693682651540056
Energy: 0.6880942373024678
Energy: 0.6916996781744069
Energy: 0.6678448171424968
Energy: 0.6896325382480104
Energy: 0.6917764060996997
Energy: 0.6680264455873249
Energy: 0.6894226598379694
Energy: 0.6998702156414571
Energy: 0.6800739818772795
Energy: 0.679306229812184
Energy: 0.6918338382701293
Energy: 0.6876013217552004
Energy: 0.6783555357727894
Energy: 0.7574867853816224
Energy: 0.6829258352985363
Energy: 0.6832422309116206
Energy: 0.7303762137856771
Energy: 0.6852461369140648
Energy: 0.687202858805065
Energy: 0.709069898186004
Energy: 0.669482999960059
Energy: 0.6694543122285115
Energy: 0.7000856813153102
Energy: 0.672752610304913
Energy: 0.6803972021747502
Energy: 0.7066212452848316
Energy: 0.7621562486486029
Energy: 0.7632870605616308
Energy: 0.6813633964959326
Energy: 0.8375422040664481
Energy: 0.7233131355665634
Energy: 0.8368984513566268
Energy: 0.6879537731795164
Energy: 0.6780473686521608
Energy: 0.703214012679694
Energy: 0.6887558848232692
Energy: 0.7102253204136562
Energy: 0.7513275092274068
Energy: 0.6608136114554886
Energy: 0.6607447577831872
Energy: 0.7461793793573862
Energy: 0.6607138282776074
Energy: 0.7070205435941366
Energy: 0.6960032355469354
Energy: 0.6468813595478753
Energy: 0.6326798576340127
Energy: 0.6898251548165042
Energy: 0.6517851911509756
Energy: 0.6656202122966695
Energy: 0.673737466686585
Energy: 0.6782211293500245
Energy: 0.6823554301999776
Energy: 0.6769748631979966
Energy: 0.678036138111777
Energy: 0.6831856260770388
Energy: 0.735989113594787
Energy: 0.6911805637884861
Energy: 0.6884188570327404
Energy: 0.6693470352793851
Energy: 0.6910445316921592
Energy: 0.669078535181858
Energy: 0.6877897179718014
Energy: 0.6800258229522537
Energy: 0.6848017255698281
Energy: 0.7022237768717762
Energy: 0.6975931168454427
Energy: 0.6925772748843021
Energy: 0.6884107885224376
Energy: 0.7576020346995561
Energy: 0.7606781084489987
Energy: 0.6870490927279852
Energy: 0.7568610040475346
Energy: 0.7057758894127829
Energy: 0.6876850902933143
Energy: 0.7004501915245644
Energy: 0.7080187092483616
Energy: 0.688308623834801
Energy: 0.6987441768962093
Energy: 0.7087020670013341
Energy: 0.7601408921091398
Energy: 0.7235800005629907
Energy: 0.7240367865926799
Energy: 0.7601183209157734
Energy: 0.7220263174370058
Energy: 0.7242736557814301
Energy: 0.6609675034097653
Energy: 0.6957432487653977
Energy: 0.7028899752922902
Energy: 0.7077342994307234
Energy: 0.6926638529684114
Energy: 0.7033027258984117
Energy: 0.631513636614845
Energy: 0.6944054596337234
Energy: 0.6605839503135263
Energy: 0.6328012545231124
Energy: 0.724785075147948
Energy: 0.6595929735774536
Energy: 0.6313249057293423
Energy: 0.6946619094328401
Energy: 0.6602482558334211
Energy: 0.6538743960547722
Energy: 0.7044105944293338
Energy: 0.6475411059021077
Energy: 0.6610823875933445
Energy: 0.6857776382330995
Energy: 0.7002121376211857
Energy: 0.702494313580511
Energy: 0.6826969906874935
Energy: 0.7027680008176517
Energy: 0.7127757837614643
Energy: 0.6682196009473533
Energy: 0.6668556438700403
Energy: 0.6901506247896985
Energy: 0.6698302452311418
Energy: 0.6689992813249449
Energy: 0.6983134293699873
Energy: 0.6914020768314595
Energy: 0.6897503865795215
Energy: 0.6994941268994203
Energy: 0.693581936620685
Energy: 0.6812127780394115
Energy: 0.7004785658627747
Energy: 0.7088661791209614
Energy: 0.6998841433989915
Energy: 0.7045684778783621
Energy: 0.7098044560196157
Energy: 0.7047364879598426
Energy: 0.73268345213864
Energy: 0.6907632428336871
Energy: 0.6934982575630694
Energy: 0.6894707441736314
Energy: 0.6975254806117601
Energy: 0.6925797972924048
Energy: 0.8485324552860212
Energy: 0.6805147830480011
Energy: 0.6823927334399823
Energy: 0.6689782842098396
Energy: 0.6885441337250638
Energy: 0.6823472650908863
Energy: 0.682373281159906
Energy: 0.6835208796620824
Energy: 0.6801297717272997
Energy: 0.6700568272045822
Energy: 0.6783141317254049
Energy: 0.6822831845404319
Energy: 0.7061651603036356
Energy: 0.6468814747662944
Energy: 0.6861054156302788
Energy: 0.6715759471986796
Energy: 0.6335439592145846
Energy: 0.6656747884475575
Energy: 0.7493727845177628
Energy: 0.6608627543810446
Energy: 0.6608755964869897
Energy: 0.7458002789856485
Energy: 0.6607922243751108
Energy: 0.7514360705047629
Energy: 0.722215879869133
Energy: 0.6750370078028647
Energy: 0.6784091275899905
Energy: 0.7018101516030413
Energy: 0.688280356681733
Energy: 0.6699031872955977
Energy: 0.736832036476161
Energy: 0.6822224997416625
Energy: 0.6888832584975562
Energy: 0.6700408884659603
Energy: 0.6986656530659462
Energy: 0.6685712812491168
Energy: 0.7009218070415418
Energy: 0.665970122041704
Energy: 0.6748464487398484
Energy: 0.6955764657836474
Energy: 0.6659914580407301
Energy: 0.6736045509221096
Energy: 0.7062662833188798
Energy: 0.6855452479995746
Energy: 0.68544729153152
Energy: 0.6923704301611904
Energy: 0.6872759941528174
Energy: 0.6861377649898701
Energy: 0.6888498988103345
Energy: 0.6954701754832685
Energy: 0.6766963144166415
Energy: 0.6815693529733032
Energy: 0.6949562264148434
Energy: 0.6779954585598318
Energy: 0.6946383661975436
Energy: 0.6925213105503398
Energy: 0.6822015291836901
Energy: 0.6945513291464313
Energy: 0.665694670236605
Energy: 0.6827977036242912
Energy: 0.8013411230478744
Energy: 0.7261023589599375
Energy: 0.725943362102716
Energy: 0.801182373425667
Energy: 0.6834113308050577
Energy: 0.7299579237626052
Energy: 0.7350141987499167
Energy: 0.6892740086916085
Energy: 0.6749352756949337
Energy: 0.6950592535552809
Energy: 0.6915167354588981
Energy: 0.6947900943544069
Energy: 0.8220045246419929
Energy: 0.7688336800934218
Energy: 0.752763753091837
Energy: 0.6901580059189186
Energy: 0.7678977686354637
Energy: 0.751248209917029

minimum gb energy = 0.6313249057293423 eV
minimum distance =  2.72020922083617 Angstroms
sigma value = 43


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

Energy: 0.8481249054188845
Energy: 0.7855139833648771
Energy: 0.7646840276263442
Energy: 0.73776227983145
Energy: 0.8047832121225552
Energy: 0.8045735057433772
Energy: 0.7955951470051172
Energy: 0.6926821100823013
Energy: 0.6907698134260053
Energy: 0.7214727063818603
Energy: 0.6880894481479413
Energy: 0.7001690629622445
Energy: 0.6843052816689426
Energy: 0.6639772240873623
Energy: 0.6654041337383373
Energy: 0.7966001919006082
Energy: 0.6700744250206339
Energy: 0.7101944102279117
Energy: 0.6817046109983259
Energy: 0.6658152725422432
Energy: 0.676213722328636
Energy: 0.6822483462347139
Energy: 0.6738941284780614
Energy: 0.6807445551334896
Energy: 0.6757191384059331
Energy: 0.6757594833505386
Energy: 0.6735013264847745
Energy: 0.6760353479500328
Energy: 0.6784154298498308
Energy: 0.6744633341396042
Energy: 0.7353061018933786
Energy: 0.6783238125320464
Energy: 0.6793333568559395
Energy: 0.6829194452856131
Energy: 0.678520676717462
Energy: 0.680899174570137
Energy: 0.6828014071876689
Energy: 0.6891421710867333
Energy: 0.6799139291652048
Energy: 0.6883041976995408
Energy: 0.6890791697655336
Energy: 0.6794480403863434
Energy: 0.741121184120631
Energy: 0.6833715776554269
Energy: 0.6834319433307808
Energy: 0.6966362656763707
Energy: 0.6830527742071667
Energy: 0.71081523024419
Energy: 0.6970512202909009
Energy: 0.6896261244056904
Energy: 0.6796899468719865
Energy: 0.691156062632196
Energy: 0.6909643399011693
Energy: 0.6806009898979951
Energy: 0.8028422363807312
Energy: 0.6768947508138092
Energy: 0.7074858758003468
Energy: 0.6911765206974008
Energy: 0.6768731231799742
Energy: 0.7295801750778984
Energy: 0.6561053560762542
Energy: 0.7087264510300486
Energy: 0.6858771030434097
Energy: 0.6909761592570446
Energy: 0.680636026568348
Energy: 0.6905017613670563
Energy: 0.7272669961819566
Energy: 0.6937143298995062
Energy: 0.6838682944554098
Energy: 0.6574163962781975
Energy: 0.7238506672162968
Energy: 0.6829103953394077
Energy: 0.7241310435400976
Energy: 0.7118034591735591
Energy: 0.6930086111390663
Energy: 0.6648475886132177
Energy: 0.7116886132561617
Energy: 0.6935311648381253
Energy: 0.6554731896132923
Energy: 0.6768484839946823
Energy: 0.6666536043970968
Energy: 0.6935919324390358
Energy: 0.6882553688990815
Energy: 0.6664715461594244
Energy: 0.6603962485577415
Energy: 0.7001231242023195
Energy: 0.6947332815397528
Energy: 0.694209323234116
Energy: 0.6780993672969523
Energy: 0.6962205227513052
Energy: 0.6619044887196374
Energy: 0.6666854850780785
Energy: 0.6594151822396636
Energy: 0.6622425275340427
Energy: 0.7013135019348572
Energy: 0.6568082810368321
Energy: 0.6628623914215038
Energy: 0.6624170874966554
Energy: 0.6641184954051057
Energy: 0.6670545469576323
Energy: 0.7006897185484645
Energy: 0.661912062286748
Energy: 0.6629150355263
Energy: 0.6596316473247279
Energy: 0.6601273250538934
Energy: 0.7157210230856439
Energy: 0.6898721592985235
Energy: 0.6906548353478046
Energy: 0.7568050768377884
Energy: 0.7210890068851639
Energy: 0.6902593327326356
Energy: 0.694871747352935
Energy: 0.7200533537786136
Energy: 0.7086074419017796
Energy: 0.7756459783665489
Energy: 0.6908532367035055
Energy: 0.6911377471583098
Energy: 0.6911525548482991
Energy: 0.7204456442216919
Energy: 0.6785747762149403
Energy: 0.7337317291381997
Energy: 0.6602927862606801
Energy: 0.7301868168943696
Energy: 0.690759720279491
Energy: 0.7085255107073256
Energy: 0.6906466983553823
Energy: 0.7521633623316509
Energy: 0.6915797275896345
Energy: 0.7042952249020942
Energy: 0.7527935785823636
Energy: 0.7462705365370441
Energy: 0.7641661840499745
Energy: 0.7344792518653483
Energy: 0.6598566243844364
Energy: 0.659796375231218
Energy: 0.6898597505217234
Energy: 0.7207723140912174
Energy: 0.6594748048772524
Energy: 0.7485326715098246
Energy: 0.7222268718941206
Energy: 0.7251238844151511
Energy: 0.7157171412167554
Energy: 0.6662668773892942
Energy: 0.690311034337829
Energy: 0.7245539812043044
Energy: 0.6602016058410674
Energy: 0.6641544491796603
Energy: 0.6742621711829808
Energy: 0.6603510734600817
Energy: 0.6644655067414404
Energy: 0.7266350933949041
Energy: 0.6653517567571768
Energy: 0.6613575954206385
Energy: 0.7018700836822259
Energy: 0.6554705720148818
Energy: 0.6708374541481898
Energy: 0.7257601782697334
Energy: 0.6892398501842703
Energy: 0.6984475215356631
Energy: 0.6784583978036387
Energy: 0.6901822233511915
Energy: 0.7018431935390191
Energy: 0.7112122108071498
Energy: 0.66145689705636
Energy: 0.6790776214524136
Energy: 0.683136784582994
Energy: 0.6721533572759958
Energy: 0.682090654643371
Energy: 0.8409399684347137
Energy: 0.7074849625759297
Energy: 0.7188886365742332
Energy: 0.8406959559349675
Energy: 0.6953965783292738
Energy: 0.7243846183064702
Energy: 0.7635588832896205
Energy: 0.6859278253760362
Energy: 0.6674087260183346
Energy: 0.6810129066191561
Energy: 0.6887538562772358
Energy: 0.6809900123722004
Energy: 0.7328474377598186
Energy: 0.7364293751284264
Energy: 0.7413990794716598
Energy: 0.6937853253935807
Energy: 0.7283703464123477
Energy: 0.6645967199377247

minimum gb energy = 0.6554705720148818 eV
minimum distance =  2.75358885510962 Angstroms
sigma value = 57


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

Energy: 0.7814242613728997
Energy: 0.6994528610433667
Energy: 0.6988354826680238
Energy: 0.6860385358559877
Energy: 0.7143811766889087
Energy: 0.69946306799759
Energy: 0.6047524558238646
Energy: 0.7086711097251939
Energy: 0.7041150113477462
Energy: 0.6758762485373252
Energy: 0.7094847638849072
Energy: 0.6442944076190085
Energy: 0.6983497911632025
Energy: 0.6754878812460648
Energy: 0.6749322007228339
Energy: 0.6888176927363067
Energy: 0.6849832560055475
Energy: 0.6780093686317334
Energy: 0.6529293022062932
Energy: 0.67524668482104
Energy: 0.6719255969612903
Energy: 0.6535225603856957
Energy: 0.6756022105868765
Energy: 0.6539552555344977
Energy: 0.661157633615656
Energy: 0.650121892376875
Energy: 0.6507171452766392
Energy: 0.660881813710315
Energy: 0.6747887952590502
Energy: 0.674319768740078
Energy: 0.6701126273087736
Energy: 0.6755722861964344
Energy: 0.6750829393445523
Energy: 0.6803875613776543
Energy: 0.6549726102520667
Energy: 0.6833575498026311
Energy: 0.6815902937323435
Energy: 0.6695297230451237
Energy: 0.6694315885956917
Energy: 0.6543452226913207
Energy: 0.6735607137398535
Energy: 0.6535173605457215
Energy: 0.6838288885547478
Energy: 0.6860313654381586
Energy: 0.6863666038212831
Energy: 0.6773759375011943
Energy: 0.7723019181843491
Energy: 0.6900901097346818
Energy: 0.6739779326336679
Energy: 0.7044494440049176
Energy: 0.6714684496433484
Energy: 0.6636152100350964
Energy: 0.710409244902306
Energy: 0.6445003012688488
Energy: 0.7905373192435583
Energy: 0.6794920578779845
Energy: 0.6979911481236337
Energy: 0.6899755191478197
Energy: 0.6917642639997068
Energy: 0.6987051484223796
Energy: 0.6590053092735842
Energy: 0.7106614945877897
Energy: 0.6564928833986743
Energy: 0.6856686335502675
Energy: 0.6679191387379639
Energy: 0.6853101833061559
Energy: 0.6014881450736587
Energy: 0.6859472793333689
Energy: 0.6878070505553121
Energy: 0.6033077182758916
Energy: 0.6864446095781822
Energy: 0.714420817512608
Energy: 0.6031815975054963
Energy: 0.6895391966287118
Energy: 0.6962657301261709
Energy: 0.6285056844252862
Energy: 0.6881260426105574
Energy: 0.6965369502204787
Energy: 0.6583482934666763
Energy: 0.6748384272311373
Energy: 0.6736426705488223
Energy: 0.7033492773306894
Energy: 0.6624212022933494
Energy: 0.6719386340811385
Energy: 0.6557213042011127
Energy: 0.666510629923162
Energy: 0.6648180760152963
Energy: 0.6843873344889106
Energy: 0.6672977022895236
Energy: 0.6649881507044897
Energy: 0.6705765930081984
Energy: 0.638874459698945
Energy: 0.6440029477458334
Energy: 0.671921622366515
Energy: 0.6561590966329024
Energy: 0.6537013513927562
Energy: 0.6568047219851807
Energy: 0.6746057841635478
Energy: 0.6755957699825033
Energy: 0.6771701587588936
Energy: 0.6755868109218621
Energy: 0.6748246406494917
Energy: 0.6628776582063324
Energy: 0.6536406099444547
Energy: 0.6574296550676837
Energy: 0.6754774931174214
Energy: 0.6609768861904994
Energy: 0.6895377411302243
Energy: 0.662467253968003
Energy: 0.6543418552795872
Energy: 0.6532494094232948
Energy: 0.6499660662371142
Energy: 0.653429885305421
Energy: 0.6910086764723297
Energy: 0.6627169027432527
Energy: 0.6878863130512064
Energy: 0.6914758938132376
Energy: 0.656041128131106
Energy: 0.6874783336204494
Energy: 0.6931686998490024
Energy: 0.675097235739089
Energy: 0.6943624638239647
Energy: 0.6753334367552976
Energy: 0.7032624697768384
Energy: 0.6763500127176152
Energy: 0.6545437511141748
Energy: 0.7967885356961799
Energy: 0.6865549734040904
Energy: 0.6802025093386916
Energy: 0.6961385259245851
Energy: 0.6820240227228701
Energy: 0.7051280410870934
Energy: 0.658426512877496
Energy: 0.6759929791089746
Energy: 0.6938873608359525
Energy: 0.7051486198774659
Energy: 0.6745256180223272
Energy: 0.6714706469489234
Energy: 0.603549970554006
Energy: 0.6890864432395032
Energy: 0.6954984407693608
Energy: 0.6290885695852214
Energy: 0.6884234127099447
Energy: 0.6964569122797817

minimum gb energy = 0.6014881450736587 eV
minimum distance =  2.67247629214835 Angstroms
sigma value = 17


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

Energy: 0.9587969468085559
Energy: 0.7678993164625166
Energy: 0.7661632685874425
Energy: 0.6263514635285786
Energy: 0.7288330723857939
Energy: 0.6273485382772889
Energy: 0.6036499512835869
Energy: 0.6695145015057099
Energy: 0.669377917356374
Energy: 0.6698906514421356
Energy: 0.6702360134705813
Energy: 0.6175536841422361
Energy: 0.7660559803188145
Energy: 0.6050529665013756
Energy: 0.604842266080942
Energy: 0.670289019938353
Energy: 0.6053607217200386
Energy: 0.606302367724839
Energy: 0.6696672482753606
Energy: 0.6066099271205677
Energy: 0.6054433386294863
Energy: 0.6695728703560796
Energy: 0.6070849282872666
Energy: 0.6095487723643788
Energy: 0.5968954892977733
Energy: 0.6261696240878972
Energy: 0.6098345411421269
Energy: 0.5968566000059121
Energy: 0.6246250230909736
Energy: 0.6096881805747487
Energy: 0.6027182027972859
Energy: 0.6129570509287804
Energy: 0.6134068258445495
Energy: 0.6357228607633839
Energy: 0.5907473293102785
Energy: 0.6098266181948051
Energy: 0.595520981582818
Energy: 0.589889978640384
Energy: 0.589758637115642
Energy: 0.6641129071566682
Energy: 0.5921367419126387
Energy: 0.6023491690841839
Energy: 0.5917061987549223
Energy: 0.6195428940380096
Energy: 0.619068632535192
Energy: 0.618794546333875
Energy: 0.6201511910065305
Energy: 0.6183243731332368
Energy: 0.5902235277822319
Energy: 0.6110067197446046
Energy: 0.6134414147778076
Energy: 0.5913963476815185
Energy: 0.609713687876931
Energy: 0.5901357118562096
Energy: 0.5907342971759487
Energy: 0.6152702944702129
Energy: 0.6146242567988494
Energy: 0.5909330096846589
Energy: 0.6098773430799002
Energy: 0.6094384573643085
Energy: 0.6745309651037538
Energy: 0.6097495761642998
Energy: 0.6100182512654568
Energy: 0.6279492961518042
Energy: 0.5968614725044646
Energy: 0.6093456234222087
Energy: 0.6276154240416179
Energy: 0.6695297219823176
Energy: 0.6698393399958799
Energy: 0.6514323595380501
Energy: 0.6692908941283535
Energy: 0.6700000617369583
Energy: 0.5925862172493905
Energy: 0.6699667147426658
Energy: 0.6702134641100957
Energy: 0.6097504995448415
Energy: 0.6697792900508487
Energy: 0.6695824651076953
Energy: 0.7348965896944892
Energy: 0.6695919274227604
Energy: 0.6695542445199841
Energy: 0.7165157752530944
Energy: 0.6696409078833123
Energy: 0.6162556576296611
Energy: 0.7377236642281262
Energy: 0.6651400241450282
Energy: 0.6646383153310136
Energy: 0.6769602893518347
Energy: 0.6652174875509356
Energy: 0.6657544282687632
Energy: 0.7619850762025616
Energy: 0.6702792335894094
Energy: 0.6277144595415893
Energy: 0.6838278554318139
Energy: 0.6811852750790287
Energy: 0.6700007884223504
Energy: 0.5782530996291022
Energy: 0.6773809440090517
Energy: 0.729658759871056
Energy: 0.6000192797045623
Energy: 0.6775450466917237
Energy: 0.7302035548902329

minimum gb energy = 0.5782530996291022 eV
minimum distance =  2.70389447229063 Angstroms
sigma value = 17


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

Energy: 0.9981893853908804
Energy: 0.7232214730816254
Energy: 0.6080972382043328
Energy: 0.611130798007875
Energy: 0.6452606060982363
Energy: 0.6091524060403851
Energy: 0.7076581945756304
Energy: 0.6470818109777899
Energy: 0.5793919754386935
Energy: 0.6498982116722883
Energy: 0.6490450594079716
Energy: 0.5717246743542853
Energy: 0.752216896344443
Energy: 0.5583532845357745
Energy: 0.5915659053420097
Energy: 0.6512778765900298
Energy: 0.5587429194526999
Energy: 0.5865663736164434
Energy: 0.6475397592728327
Energy: 0.5895933008807287
Energy: 0.589894139448549
Energy: 0.6485035159886896
Energy: 0.5834081971172751
Energy: 0.5860471824318632
Energy: 0.6270696624707127
Energy: 0.5756784816308633
Energy: 0.5786689162961964
Energy: 0.5777060614447076
Energy: 0.5782337511657722
Energy: 0.5715813690116661
Energy: 0.5864378829437382
Energy: 0.5772437661928813
Energy: 0.5618947818388842
Energy: 0.5586371686950635
Energy: 0.5629602290951214
Energy: 0.5609355520779178
Energy: 0.6616760354165904
Energy: 0.5644428729451626
Energy: 0.564163674273663
Energy: 0.5588312363349712
Energy: 0.5642033049289241
Energy: 0.5612642734901786
Energy: 0.6589053098655964
Energy: 0.5505001242551748
Energy: 0.5578838145442592
Energy: 0.5534979946739249
Energy: 0.5498122188533964
Energy: 0.5577317864740539
Energy: 0.5347804238663334
Energy: 0.5550391219083158
Energy: 0.5501977881761588
Energy: 0.5353123283194964
Energy: 0.6504430722491968
Energy: 0.5338209559988535
Energy: 0.5391269494984229
Energy: 0.5657264101339046
Energy: 0.5529908858707087
Energy: 0.5342435253969855
Energy: 0.5521829449748762
Energy: 0.5483163139076455
Energy: 0.590665613954035
Energy: 0.5345423921849517
Energy: 0.5530048531357016
Energy: 0.5515309182701539
Energy: 0.5353694891456926
Energy: 0.5525630535197078
Energy: 0.6401657559198642
Energy: 0.5337956581710565
Energy: 0.5340064508520077
Energy: 0.6015155180641872
Energy: 0.5358181718632787
Energy: 0.5502550511848251
Energy: 0.6361732157746823
Energy: 0.5560956797461505
Energy: 0.5566008344190133
Energy: 0.5523275063374269
Energy: 0.5558417063264198
Energy: 0.5561037484820608
Energy: 0.5640289389942937
Energy: 0.5580525719633067
Energy: 0.558039578124875
Energy: 0.5650243935327993
Energy: 0.5583526166138896
Energy: 0.5643546048605643
Energy: 0.5634846849607213
Energy: 0.5747893050202657
Energy: 0.5556340891987658
Energy: 0.5630905523581373
Energy: 0.5628491976675402
Energy: 0.5802931838312498
Energy: 0.6898914630900356
Energy: 0.5791647149153283
Energy: 0.5817359347064325
Energy: 0.5828576399855497
Energy: 0.5775895144707698
Energy: 0.5804141365078044
Energy: 0.6707155702017291
Energy: 0.6441083666636244
Energy: 0.6465139881808759
Energy: 0.5780121920163216
Energy: 0.6436176697663181
Energy: 0.577714706572237
Energy: 0.6252816252935699
Energy: 0.6453361328805862
Energy: 0.6477310261494335
Energy: 0.6100102512453781
Energy: 0.6459530978738817
Energy: 0.5743847408646537
Energy: 0.7082873651253747
Energy: 0.6480640796756664
Energy: 0.6077893933964519
Energy: 0.6479070815981824
Energy: 0.5767641980212955
Energy: 0.5800080174123486
Energy: 0.7644891365575288
Energy: 0.5794111753547445
Energy: 0.5775941584194321
Energy: 0.7815212665340099
Energy: 0.5804463281257822
Energy: 0.6513237427447601
Energy: 0.7304499715661835
Energy: 0.6471594364587425
Energy: 0.6480012553515643
Energy: 0.6478375730872299
Energy: 0.6464381021810696
Energy: 0.6472349710972851
Energy: 0.708359921877116
Energy: 0.6505985080311787
Energy: 0.6998319108819663
Energy: 0.590279340183728
Energy: 0.6512268805185729
Energy: 0.588294031913792
Energy: 0.7130888220198643
Energy: 0.6481641713089721
Energy: 0.5759188670583203
Energy: 0.6704108412872012
Energy: 0.6478115108647555
Energy: 0.6324480384900572
Energy: 0.7271877422551116
Energy: 0.5854338631110584
Energy: 0.640464181693007
Energy: 0.6460968498865702
Energy: 0.5615821316786597
Energy: 0.648843990341588
Energy: 0.643595866855008
Energy: 0.5613971299774895
Energy: 0.5867458401962182
Energy: 0.643993860316209
Energy: 0.5590218105371311
Energy: 0.5874204599758431
Energy: 0.6312762257926579
Energy: 0.5779599299320325
Energy: 0.5785702987107743
Energy: 0.5760252867239386
Energy: 0.5794571317666293
Energy: 0.5813523888025875
Energy: 0.644336455589711
Energy: 0.582451742303493
Energy: 0.5791763511912801
Energy: 0.5593574280750903
Energy: 0.5829683428745616
Energy: 0.5592217441660217
Energy: 0.6441390708700817
Energy: 0.5713458105098699
Energy: 0.5639104362272801
Energy: 0.6446034099204737
Energy: 0.5641353693263623
Energy: 0.5663211467294399
Energy: 0.6573421716890804
Energy: 0.57314374021995
Energy: 0.5592706554674022
Energy: 0.5549110912595973
Energy: 0.5671714121761761
Energy: 0.5585539786255446
Energy: 0.5311737425842401
Energy: 0.5500258636641239
Energy: 0.552189684179767
Energy: 0.5321639895123895
Energy: 0.5502832104012825
Energy: 0.5563411699331667
Energy: 0.5369181434114537
Energy: 0.5513061810497045
Energy: 0.5506838611227614
Energy: 0.5380255496311709
Energy: 0.5523210543076918
Energy: 0.5471954244404797
Energy: 0.5909297234982326
Energy: 0.5524293800727648
Energy: 0.5521162036667961
Energy: 0.5679381127644766
Energy: 0.5527032688531651
Energy: 0.5520774482277814
Energy: 0.6367221406458036
Energy: 0.5377797092607467
Energy: 0.5339347437464357
Energy: 0.6379002115160273
Energy: 0.5327346569481546
Energy: 0.5338908325609639
Energy: 0.5696835262122815
Energy: 0.5573846898684293
Energy: 0.5574513731877306
Energy: 0.562712720560743
Energy: 0.5522786930349302
Energy: 0.5579213771282455
Energy: 0.5688881560518225
Energy: 0.5569070592853945
Energy: 0.5563566634592805
Energy: 0.5637911099825462
Energy: 0.5828575230301646
Energy: 0.5572674949683307
Energy: 0.5693797728889349
Energy: 0.5548214340896491
Energy: 0.5750647147916834
Energy: 0.5635830385555259
Energy: 0.553734202544991
Energy: 0.5665296411401806
Energy: 0.6949100694385746
Energy: 0.5785292170948519
Energy: 0.5784587038578536
Energy: 0.583299978544948
Energy: 0.5756985871230301
Energy: 0.5780181073218492
Energy: 0.6994572745413266
Energy: 0.6437122725042035
Energy: 0.5778485400916622
Energy: 0.5798709336191433
Energy: 0.6455120256569528
Energy: 0.5794745065883146
Energy: 0.6174983867199645
Energy: 0.6413584821657257
Energy: 0.5786707136922785
Energy: 0.5743953079088244
Energy: 0.6481357560732204
Energy: 0.5753013634893249
Energy: 0.6883671008266838
Energy: 0.6464811252015695
Energy: 0.6463450262192307
Energy: 0.5794277258474735
Energy: 0.6489054733360046
Energy: 0.6063946844807981
Energy: 0.7067864441231574
Energy: 0.5851700700789982
Energy: 0.6450928439419992
Energy: 0.6514050264900468
Energy: 0.576092930429911
Energy: 0.6425679026966801
Energy: 0.7269061928194459
Energy: 0.6033171405966514
Energy: 0.5785881201079988
Energy: 0.6491595255673631
Energy: 0.576571836960649
Energy: 0.6469912902733026
Energy: 0.7126427040170332
Energy: 0.648807825004699
Energy: 0.6476541678769556
Energy: 0.6697637549833155
Energy: 0.6498300531470358
Energy: 0.6327806294493882

minimum gb energy = 0.5311737425842401 eV
minimum distance =  2.68891323432594 Angstroms
sigma value = 57


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

Energy: 0.6035280555646605
Energy: 0.679839045098203
Energy: 0.5858873525388596
Energy: 0.5460467284918147
Energy: 0.7370020102376722
Energy: 0.5719923227474566
Energy: 0.670055490976854
Energy: 0.6211172959391311
Energy: 0.541208992973571
Energy: 0.6195823066137404
Energy: 0.6180613049507957
Energy: 0.5516113915793167
Energy: 0.7051524430108174
Energy: 0.5359257694597052
Energy: 0.533701690724432
Energy: 0.6212510780674518
Energy: 0.5242112708497136
Energy: 0.5579237113312525
Energy: 0.6164256470911972
Energy: 0.5331729931232936
Energy: 0.5585802670763103
Energy: 0.6173981868917194
Energy: 0.5255223692277113
Energy: 0.5640009674998593
Energy: 0.5728431605774943
Energy: 0.5476986036238023
Energy: 0.549915509691537
Energy: 0.5925809943731667
Energy: 0.5470335363078076
Energy: 0.5500681804825895
Energy: 0.5890289480509975
Energy: 0.5413721106585233
Energy: 0.5377661202187717
Energy: 0.5051115512778117
Energy: 0.5394963904199579
Energy: 0.5197382709368433
Energy: 0.6283898791655977
Energy: 0.544867648403836
Energy: 0.5395598969450083
Energy: 0.5219662926775547
Energy: 0.5417325499134318
Energy: 0.5337306968020373
Energy: 0.6230512328627019
Energy: 0.49968787536933273
Energy: 0.5120492771341159
Energy: 0.5358676928224747
Energy: 0.5003841218847559
Energy: 0.5223231772278356
Energy: 0.5039022951281461
Energy: 0.5190193199720847
Energy: 0.5030457938116175
Energy: 0.503702888974493
Energy: 0.5941021981564168
Energy: 0.504731922302461
Energy: 0.502011421544815
Energy: 0.5220515656229447
Energy: 0.5222398175560443
Energy: 0.5041449683069865
Energy: 0.5314340034375459
Energy: 0.5146520764502136
Energy: 0.5895959179779403
Energy: 0.4853539187821939
Energy: 0.5079330600918525
Energy: 0.4951144647557999
Energy: 0.485068386114215
Energy: 0.5088191880637967
Energy: 0.5882470564052017
Energy: 0.49285514759817006
Energy: 0.4961205017949248
Energy: 0.547872854203046
Energy: 0.49053232281142
Energy: 0.5011280141897483
Energy: 0.5916880348359145
Energy: 0.5150246385958906
Energy: 0.5139957235667993
Energy: 0.5041651942385078
Energy: 0.5282957484067258
Energy: 0.5032958143382709
Energy: 0.48686466252815364
Energy: 0.4999011760277871
Energy: 0.48712178942009887
Energy: 0.4882941886228735
Energy: 0.5469363135151889
Energy: 0.49578828664045166
Energy: 0.49458119053408334
Energy: 0.4996691610074196
Energy: 0.49935222649959965
Energy: 0.48504289265950296
Energy: 0.5145682779454686
Energy: 0.5132459178435939
Energy: 0.6039313666449508
Energy: 0.5033250195116353
Energy: 0.5113247891104269
Energy: 0.5358144012591516
Energy: 0.5092834514225317
Energy: 0.5114302287672009
Energy: 0.5928468410346434
Energy: 0.5108783165982367
Energy: 0.5030970478605671
Energy: 0.4994770804394057
Energy: 0.5086825255411397
Energy: 0.5193537564405293
Energy: 0.6073045178939843
Energy: 0.5180554820294637
Energy: 0.5185440360869022
Energy: 0.6062465277048829
Energy: 0.5196769945587005
Energy: 0.5202151615472811
Energy: 0.5396809609979294
Energy: 0.5206342099329208
Energy: 0.5395591010923225
Energy: 0.5412653826280844
Energy: 0.521820011790274
Energy: 0.5409435415722764
Energy: 0.6675638687623796
Energy: 0.5235474288810639
Energy: 0.5280565721158714
Energy: 0.5545709318600313
Energy: 0.5150659430237184
Energy: 0.5383101531854788
Energy: 0.6560385375772875
Energy: 0.549150833049804
Energy: 0.5528769813022331
Energy: 0.5482061442672587
Energy: 0.6194463100052006
Energy: 0.5499292518819562
Energy: 0.5787844448308819
Energy: 0.6134855418375067
Energy: 0.5408492903947686
Energy: 0.5158567026568898
Energy: 0.6219676050641818
Energy: 0.5392806826331604
Energy: 0.6006710295422897
Energy: 0.6219000305118965
Energy: 0.6184299498400481
Energy: 0.5486314000649485
Energy: 0.6177644686160056
Energy: 0.6089613165608079
Energy: 0.6679123039615575
Energy: 0.5508397173459805
Energy: 0.5410928489310135
Energy: 0.6180463163790149
Energy: 0.5503458889050011
Energy: 0.5500356714310084
Energy: 0.7164593416674924
Energy: 0.540154105257971
Energy: 0.5383248892528707
Energy: 0.6334339958502809
Energy: 0.538446062547706
Energy: 0.549621098137923
Energy: 0.6905449076937973
Energy: 0.6230075487681518
Energy: 0.6211266426534169
Energy: 0.616987322910301
Energy: 0.6203763033587191
Energy: 0.5497033693176493
Energy: 0.5631079461796293
Energy: 0.6116705159854959
Energy: 0.5648943781473019
Energy: 0.5282969720303612
Energy: 0.6329725440342124
Energy: 0.5593202263209959

minimum gb energy = 0.48504289265950296 eV
minimum distance =  2.69338652380792 Angstroms
sigma value = 43


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

Energy: 0.5565677161026734
Energy: 0.5563070042048333
Energy: 0.4963322895089125
Energy: 0.45790961575019723
Energy: 0.6342294095486279
Energy: 0.4793853297420358
Energy: 0.5736083396924203
Energy: 0.535021779289481
Energy: 0.49231446476890645
Energy: 0.532124728438775
Energy: 0.5319117096510589
Energy: 0.4702692867442873
Energy: 0.5984304037098542
Energy: 0.43029756689517407
Energy: 0.44351280501440776
Energy: 0.5348889967636943
Energy: 0.43038355420060126
Energy: 0.44367059950024734
Energy: 0.5257768307494496
Energy: 0.44342002339188913
Energy: 0.4532257796411567
Energy: 0.4702950379101609
Energy: 0.43457132285322697
Energy: 0.4943340472752328
Energy: 0.5131872217893388
Energy: 0.4692866586083898
Energy: 0.4699975218665959
Energy: 0.47679988445817334
Energy: 0.46904614058041066
Energy: 0.47037937566059784
Energy: 0.5066431283873843
Energy: 0.47656750741213133
Energy: 0.4377569206143995
Energy: 0.4172361381019309
Energy: 0.47502414391574715
Energy: 0.4270818683897766
Energy: 0.5402244776969131
Energy: 0.47505286905977784
Energy: 0.47658770696453084
Energy: 0.43815489948454817
Energy: 0.4766723329642809
Energy: 0.4618352392743191
Energy: 0.5386666475781509
Energy: 0.4140858624025514
Energy: 0.41862189589407767
Energy: 0.4280867354104544
Energy: 0.4140199220072724
Energy: 0.4185593637770824
Energy: 0.44244510610028814
Energy: 0.4182349570900809
Energy: 0.4439775879563374
Energy: 0.44344253329132055
Energy: 0.5145043583128909
Energy: 0.44256801099062265
Energy: 0.4283471109337277
Energy: 0.41650768819086154
Energy: 0.42284147485208984
Energy: 0.4435264942975434
Energy: 0.41683619217710494
Energy: 0.4224473829432335
Energy: 0.500173821900716
Energy: 0.42090055707634855
Energy: 0.4132020471542068
Energy: 0.4106246719940853
Energy: 0.42098950001937757
Energy: 0.40804559904508564
Energy: 0.5111583237707789
Energy: 0.42092521518343384
Energy: 0.4229986596991645
Energy: 0.42063396793234376
Energy: 0.42132371130843893
Energy: 0.42107898077018985
Energy: 0.5126601224540168
Energy: 0.41043520153739355
Energy: 0.4065613284379948
Energy: 0.42928757376735616
Energy: 0.4039221622871078
Energy: 0.4198412007380964
Energy: 0.4088366397510998
Energy: 0.40865903530420306
Energy: 0.4110290837060659
Energy: 0.41018079297787124
Energy: 0.5039876805700246
Energy: 0.4110923976398495
Energy: 0.40914390427632524
Energy: 0.4081878172598109
Energy: 0.40786687695812807
Energy: 0.40905135376126306
Energy: 0.408342728964687
Energy: 0.4074166533900375
Energy: 0.4997202175429212
Energy: 0.4042484022456846
Energy: 0.40443796169845403
Energy: 0.4040404186902723
Energy: 0.4038351875051313
Energy: 0.4039905433185687
Energy: 0.5013119663806035
Energy: 0.4055172935382245
Energy: 0.40548675720379024
Energy: 0.4060052602290707
Energy: 0.4044093409783453
Energy: 0.4102420112948908
Energy: 0.5030204775207053
Energy: 0.4182078738917942
Energy: 0.41021495405394404
Energy: 0.4595889258785924
Energy: 0.4174933103046553
Energy: 0.4100965614017572
Energy: 0.4042461960503696
Energy: 0.4591231235666865
Energy: 0.40573231727952574
Energy: 0.4048810311163392
Energy: 0.5024726422487349
Energy: 0.40533641338134335
Energy: 0.504137985737668
Energy: 0.4274920632351947
Energy: 0.4110448078464115
Energy: 0.4105642189774306
Energy: 0.41767844605400367
Energy: 0.41409471512950835
Energy: 0.5055752812057768
Energy: 0.41003765319226493
Energy: 0.41091910082704636
Energy: 0.41202386857287787
Energy: 0.41018519826810773
Energy: 0.41431577952120396
Energy: 0.5041146974810475
Energy: 0.40938966405532257
Energy: 0.40989483208479927
Energy: 0.40659283325083523
Energy: 0.40921914687577154
Energy: 0.4062003389253218
Energy: 0.42105252095977674
Energy: 0.41029818498867027
Energy: 0.41008695820186575
Energy: 0.42166749029287615
Energy: 0.41100827541867185
Energy: 0.4105135267533813
Energy: 0.4206467854206029
Energy: 0.42037673163187034
Energy: 0.4228213927743434
Energy: 0.42171379371922385
Energy: 0.5105329396999463
Energy: 0.42188523709287346
Energy: 0.5245440771328734
Energy: 0.41195681648784127
Energy: 0.41288552366180475
Energy: 0.4280908523314189
Energy: 0.4105942717570468
Energy: 0.41294557934393666
Energy: 0.5238929367111225
Energy: 0.4416458387506676
Energy: 0.4424427298754693
Energy: 0.4312181875405675
Energy: 0.44156729939312256
Energy: 0.4309738104446376
Energy: 0.5027887311691493
Energy: 0.44156856117339843
Energy: 0.4277164273529122
Energy: 0.41485480246515716
Energy: 0.441574496726931
Energy: 0.41705124189602033
Energy: 0.4752217480142023
Energy: 0.4314402342118921
Energy: 0.4267837898705513
Energy: 0.47587689440781966
Energy: 0.4310878618654063
Energy: 0.42695564742648806
Energy: 0.476084807691922
Energy: 0.43028540545034144
Energy: 0.47989829579708315
Energy: 0.4769733347737304
Energy: 0.5055322093671367
Energy: 0.4746457546313343
Energy: 0.5740452015466181
Energy: 0.42360849784337784
Energy: 0.43067090166505967
Energy: 0.4476614375206541
Energy: 0.42347223267672923
Energy: 0.42958768272534725
Energy: 0.5608219104289828
Energy: 0.531870614151636
Energy: 0.470080848343711
Energy: 0.48322996456596523
Energy: 0.5321970090309939
Energy: 0.4709679887810217
Energy: 0.5336403148074803
Energy: 0.5310913734928842
Energy: 0.45004346718908617
Energy: 0.42588531562507154
Energy: 0.5313674184162331
Energy: 0.43950161431954904
Energy: 0.5189796600578813
Energy: 0.5289233463900952
Energy: 0.5004027084626528
Energy: 0.4708826839497251
Energy: 0.5332400296349612
Energy: 0.5006249571564895
Energy: 0.5631890726039136
Energy: 0.4563036171290645
Energy: 0.4612237633577251
Energy: 0.4710636939784302
Energy: 0.5011782097464681
Energy: 0.5042546374919304
Energy: 0.5985454909139304
Energy: 0.4441508548669272
Energy: 0.4717121321555679
Energy: 0.531268031870067
Energy: 0.44613663058561415
Energy: 0.471959422018491
Energy: 0.5736083440977844
Energy: 0.5304466106610884
Energy: 0.49504590850385766
Energy: 0.5306917739428562
Energy: 0.53283554999092
Energy: 0.5004671775361504

minimum gb energy = 0.4038351875051313 eV
minimum distance =  2.69105796628193 Angstroms
sigma value = 81


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

Energy: 0.16962980836922992
Energy: 0.1871288973529159
Energy: 0.02953957788974714
Energy: 0.030399950668400545
Energy: 0.28406274407137716
Energy: 0.16989464719998584
Energy: 0.1878367495947964
Energy: 0.29121661260039094
Energy: 0.29355591344597
Energy: 0.34140920451672274
Energy: 0.29602784502722085
Energy: 0.2911335681764097
Energy: 0.3132667578754432
Energy: 0.029341831108607854
Energy: 0.029419327525460812
Energy: 0.3427111006713362
Energy: 0.029323597156895538
Energy: 0.029449592007646797
Energy: 0.314068735257817
Energy: 0.029436304642439345
Energy: 0.02963722139015651
Energy: 0.31724610508692913
Energy: 0.029384674441205665
Energy: 0.050799223661338336
Energy: 0.05042350883029126
Energy: 0.33431715283852226
Energy: 0.3121924484106235
Energy: 0.05108096502249731
Energy: 0.3343590961580158
Energy: 0.33441857865611524
Energy: 0.02971011103533379
Energy: 0.3093571542966859
Energy: 0.029519708530188916
Energy: 0.03059346943173723
Energy: 0.30971456951973775
Energy: 0.029326621707664893
Energy: 0.33922876229580573
Energy: 0.30937034877109854
Energy: 0.29106232035104873
Energy: 0.33885445695607785
Energy: 0.29107896590629323
Energy: 0.30929389349459946
Energy: 0.3375338224499174
Energy: 0.029334387146067124
Energy: 0.029440282530917978
Energy: 0.33836710435211653
Energy: 0.02921363184658765
Energy: 0.02948837292115691
Energy: 0.2929277672426922
Energy: 0.02949106118498664
Energy: 0.05090493958060888
Energy: 0.316959638968862
Energy: 0.029435640548325693
Energy: 0.051595286501701546
Energy: 0.1699171744364062
Energy: 0.3173607404083361
Energy: 0.31696330857111543
Energy: 0.02936707112480999
Energy: 0.31692255431086647
Energy: 0.3118019683913341

minimum gb energy = 0.02921363184658765 eV
minimum distance =  2.82733780599475 Angstroms
sigma value = 3


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

Energy: 0.5007604517045333
Energy: 0.6035199094602776
Energy: 0.5336243378989701
Energy: 0.4831338522132603
Energy: 0.49718116724347317
Energy: 0.49246668347887385
Energy: 0.5330191441218416
Energy: 0.5132730969832905
Energy: 0.49409482578092534
Energy: 0.5059331728516864
Energy: 0.571974971065196
Energy: 0.49221466496318683
Energy: 0.5539638446674645
Energy: 0.48425873242617246
Energy: 0.48377721928248385
Energy: 0.5077364725646732
Energy: 0.4835265026195611
Energy: 0.4886578293513999
Energy: 0.5231830714231858
Energy: 0.48743587283477086
Energy: 0.48690869728906805
Energy: 0.5231383332358055
Energy: 0.4486155199448307
Energy: 0.4963423034953211
Energy: 0.4679157188799165
Energy: 0.4926025107259224
Energy: 0.4939816747428244
Energy: 0.4678000995337998
Energy: 0.49785685970623755
Energy: 0.4920014824695394
Energy: 0.48939011343902833
Energy: 0.5017907275421013
Energy: 0.49060475745403276
Energy: 0.4581903513498979
Energy: 0.5057405880174449
Energy: 0.45856315510694584
Energy: 0.5021908836992196
Energy: 0.4560107626287006
Energy: 0.47612452121697074
Energy: 0.4979338969090078
Energy: 0.4558528950571977
Energy: 0.49487777386200776
Energy: 0.5231904424018035
Energy: 0.46436500815702375
Energy: 0.46421007605898124
Energy: 0.5227153273742133
Energy: 0.44045169925386995
Energy: 0.4707815218939402
Energy: 0.49511057453519186
Energy: 0.4637256625058193
Energy: 0.49533889921741997
Energy: 0.49685759604587737
Energy: 0.44097705570251117
Energy: 0.49809354813374995
Energy: 0.4747529197436188
Energy: 0.4890594425756093
Energy: 0.4891018817679218
Energy: 0.4748108087228901
Energy: 0.4910743772466141
Energy: 0.4603067418790517
Energy: 0.4963732598525849
Energy: 0.4701658027197764
Energy: 0.47023388374015485
Energy: 0.44432206643418454
Energy: 0.46732663352690557
Energy: 0.444741428666747
Energy: 0.45264117871661486
Energy: 0.47396866201516363
Energy: 0.4699407472452013
Energy: 0.45280586224266306
Energy: 0.47333966414448647
Energy: 0.42703277388832955
Energy: 0.45243190591094634
Energy: 0.4341189951383016
Energy: 0.45060904854569755
Energy: 0.4525695165998761
Energy: 0.4340775583944617
Energy: 0.43990942430095475
Energy: 0.4529053918803293
Energy: 0.44420760890057526
Energy: 0.4506719588998041
Energy: 0.4508084052224814
Energy: 0.4436929424654681
Energy: 0.4544786902079483
Energy: 0.4519294890208479
Energy: 0.4320169894813865
Energy: 0.43281000383459994
Energy: 0.45061808955683463
Energy: 0.4341913552857067
Energy: 0.43429284272131374
Energy: 0.4517075261590105
Energy: 0.43833959052107324
Energy: 0.43935349845551264
Energy: 0.4371002685225194
Energy: 0.4457663645014972
Energy: 0.43935402024494613
Energy: 0.4206977032754688
Energy: 0.44177550520384956
Energy: 0.4406616920601508
Energy: 0.42101253942908784
Energy: 0.44059296531031333
Energy: 0.4159800169901351
Energy: 0.41667096915388396
Energy: 0.4346905679364638
Energy: 0.43451520484696865
Energy: 0.41646936008084723
Energy: 0.43502878450548266
Energy: 0.4388172138938551
Energy: 0.44251651626087096
Energy: 0.46258299778305245
Energy: 0.4341460584742779
Energy: 0.43775847271260376
Energy: 0.4620688247894097
Energy: 0.43445616627340694
Energy: 0.44480954647437465
Energy: 0.4148036063610545
Energy: 0.4210838924593317
Energy: 0.445412073572347
Energy: 0.4217757105808791
Energy: 0.4205686745119249
Energy: 0.444826539167484
Energy: 0.4385664877825869
Energy: 0.4401301512092125
Energy: 0.4454940420920572
Energy: 0.43851880467340104
Energy: 0.4403453570649613
Energy: 0.4318137780926682
Energy: 0.4387016906991018
Energy: 0.42918482690039667
Energy: 0.43300426765326333
Energy: 0.43802886871529567
Energy: 0.4309950508550589
Energy: 0.43206556001676494
Energy: 0.45376073220317403
Energy: 0.45067514694942445
Energy: 0.41323430222891205
Energy: 0.45038338615457446
Energy: 0.4499190750129036
Energy: 0.4846801983340042
Energy: 0.45241334152431034
Energy: 0.45067591532017975
Energy: 0.44768376457828085
Energy: 0.45421157027995707
Energy: 0.4401054977194547
Energy: 0.4692819148823846
Energy: 0.4549206776362887
Energy: 0.43187603587689366
Energy: 0.4696140712757871
Energy: 0.4527229384475707
Energy: 0.4270260450562639
Energy: 0.4704862722882402
Energy: 0.4548180846419803
Energy: 0.45504734128519575
Energy: 0.47067057177538796
Energy: 0.43386124084992633
Energy: 0.46967789011627853
Energy: 0.48930908713528976
Energy: 0.4544749860347451
Energy: 0.4547968284153382
Energy: 0.49036022134307117
Energy: 0.473462428755165
Energy: 0.47224142061638463
Energy: 0.4659159490051084
Energy: 0.47569082318678296
Energy: 0.4758942803312037
Energy: 0.4657475043426226
Energy: 0.47569526773664444
Energy: 0.4745183829681342
Energy: 0.5379265413167859
Energy: 0.5148730274683151
Energy: 0.4959199765223595
Energy: 0.4497588460053677
Energy: 0.5138537429098448
Energy: 0.4498240373479625
Energy: 0.4726823475428838
Energy: 0.5124465414669278
Energy: 0.4930414994511567
Energy: 0.4728998682925838
Energy: 0.5166010782188608
Energy: 0.4955593296351724
Energy: 0.5126149745983137
Energy: 0.471387223218932
Energy: 0.4716067545874042
Energy: 0.5123237508321598
Energy: 0.44568937823078997
Energy: 0.4713279189630205
Energy: 0.5522583718876042
Energy: 0.471966359591339
Energy: 0.506488521407901
Energy: 0.4980426665578407
Energy: 0.4628389654476504
Energy: 0.49141093618146475
Energy: 0.5035223417237725
Energy: 0.5138499161696773
Energy: 0.5128278923213523
Energy: 0.4872211992769409
Energy: 0.5128977708518605
Energy: 0.4721511161235887

minimum gb energy = 0.41323430222891205 eV
minimum distance =  2.6493254980207 Angstroms
sigma value = 67


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

Energy: 0.5986641614138857
Energy: 0.5910321399884181
Energy: 0.5970652193303569
Energy: 0.5598848355641152
Energy: 0.584134926895651
Energy: 0.5970567931215194
Energy: 0.6096977215903677
Energy: 0.6096836054518344
Energy: 0.6124995319554294
Energy: 0.6235492519574097
Energy: 0.6076558270164314
Energy: 0.6083535419888462
Energy: 0.6306650137951921
Energy: 0.5707383391475995
Energy: 0.5820644543086303
Energy: 0.6130010455686602
Energy: 0.5628575523072649
Energy: 0.6207922093467579
Energy: 0.6095534749915085
Energy: 0.6040459288899002
Energy: 0.6094176332080778
Energy: 0.5754258102577635
Energy: 0.5764704965687877
Energy: 0.6178773470396357
Energy: 0.5751351987888568
Energy: 0.6141595093874175
Energy: 0.6129206076460553
Energy: 0.572773870897762
Energy: 0.6141758614472578
Energy: 0.6083659441490035
Energy: 0.5973933803399764
Energy: 0.5839147677320196
Energy: 0.5638080418311922
Energy: 0.5644923599308669
Energy: 0.6105710440064578
Energy: 0.5639662472899196
Energy: 0.5854326083619956
Energy: 0.5662037752112814
Energy: 0.5690080923550788
Energy: 0.5835718765321862
Energy: 0.5635576153132299
Energy: 0.5666054795557401
Energy: 0.583044950191344
Energy: 0.5530017015346417
Energy: 0.5501671851450783
Energy: 0.5833907363130952
Energy: 0.5416782358860929
Energy: 0.5688407221512182
Energy: 0.5610112632412931
Energy: 0.567698226417302
Energy: 0.5719660937601344
Energy: 0.5663427364591032
Energy: 0.5483959872381986
Energy: 0.5690772217304284
Energy: 0.5633346124813169
Energy: 0.5518918958428821
Energy: 0.5555533833294344
Energy: 0.5639646324707983
Energy: 0.5512368377630581
Energy: 0.5457022010157754
Energy: 0.5611434772835622
Energy: 0.5504091697444106
Energy: 0.5516395040461649
Energy: 0.5454590173043923
Energy: 0.5446875527479095
Energy: 0.5521673412380906
Energy: 0.5231946308686212
Energy: 0.5479787493419964
Energy: 0.548814017313347
Energy: 0.5237809655048634
Energy: 0.5476816069159776
Energy: 0.5138059657264972
Energy: 0.5228150763685881
Energy: 0.5438590621535577
Energy: 0.542826391628997
Energy: 0.5230789734477143
Energy: 0.5406130532288523
Energy: 0.5209091443576216
Energy: 0.5405620995455421
Energy: 0.5437369135047144
Energy: 0.5420469211844842
Energy: 0.5404692556934491
Energy: 0.5530688284407792
Energy: 0.5420048144387312
Energy: 0.5394258449523226
Energy: 0.5243300956872785
Energy: 0.5283001770031063
Energy: 0.5406026495943347
Energy: 0.523123298782016
Energy: 0.5192892399348825
Energy: 0.5434627077169162
Energy: 0.548222086270531
Energy: 0.5482403271616878
Energy: 0.5494951728200166
Energy: 0.5416874347696226
Energy: 0.5477845281544299
Energy: 0.5490291912200801
Energy: 0.5395444745318506
Energy: 0.5375488919331018
Energy: 0.5497400192671948
Energy: 0.5383290760902701
Energy: 0.5412561430098076
Energy: 0.5460626861900649
Energy: 0.5667037094793977
Energy: 0.5686699549546331
Energy: 0.5481166446389535
Energy: 0.5664691104006532
Energy: 0.5255045619141392
Energy: 0.5397632527487174
Energy: 0.5622639129900742
Energy: 0.5500785799023985
Energy: 0.5502948290342528
Energy: 0.5607416061179975
Energy: 0.5497912912463192
Energy: 0.5611670942687773
Energy: 0.5799683184165787
Energy: 0.5804037994186025
Energy: 0.5614789692261904
Energy: 0.5763272968034732
Energy: 0.5710912123308451
Energy: 0.5753910866648041
Energy: 0.5790126928589016
Energy: 0.5790956176026146
Energy: 0.57678728550181
Energy: 0.5720333002958996
Energy: 0.5855064332118566
Energy: 0.6304762663983551
Energy: 0.5488516611731871
Energy: 0.5791737189333771
Energy: 0.6141716433558926
Energy: 0.5483379693891858
Energy: 0.5862690783114595
Energy: 0.6100888446277111
Energy: 0.5643683501431871
Energy: 0.5684161314645738
Energy: 0.6106967828281314
Energy: 0.5623454222693766
Energy: 0.5618499397037543

minimum gb energy = 0.5138059657264972 eV
minimum distance =  2.65336701916897 Angstroms
sigma value = 33


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

Energy: 0.9630759353008892
Energy: 0.7286927687143155
Energy: 0.7289354345914913
Energy: 0.6439220414782909
Energy: 0.6925210339941018
Energy: 0.6388772955055048
Energy: 0.6399614784761526
Energy: 0.6544083016662363
Energy: 0.6580273958990922
Energy: 0.6557958497800802
Energy: 0.6551622461789698
Energy: 0.6569166782705611
Energy: 0.7209507111734015
Energy: 0.6472675942178593
Energy: 0.64691168570216
Energy: 0.6554080081923712
Energy: 0.6480424487078655
Energy: 0.6464003561264332
Energy: 0.7006575779761085
Energy: 0.647428178220629
Energy: 0.6482977427994349
Energy: 0.6457723991062421
Energy: 0.6051834185687778
Energy: 0.6470089024587775
Energy: 0.6240579572731294
Energy: 0.6542260528021083
Energy: 0.6567272671364204
Energy: 0.6160217862157628
Energy: 0.6548546482005251
Energy: 0.6545404830120497
Energy: 0.6902972270448876
Energy: 0.654375480246428
Energy: 0.653695280029719
Energy: 0.6046424120643507
Energy: 0.65454773199289
Energy: 0.6077603894175484
Energy: 0.6236067345686107
Energy: 0.6562827808177008
Energy: 0.6220100280710223
Energy: 0.6156734515171661
Energy: 0.6537847572951271
Energy: 0.6156612872683546
Energy: 0.6437579761581035
Energy: 0.6069989688192541
Energy: 0.6093351773843942
Energy: 0.6403053057296982
Energy: 0.607425979576894
Energy: 0.6118757953300323
Energy: 0.6076651445671005
Energy: 0.6116005393289522
Energy: 0.612112110943949
Energy: 0.61351901022776
Energy: 0.5840150691633186
Energy: 0.6125266040958743
Energy: 0.6052033968218843
Energy: 0.5902789462318608
Energy: 0.5853676672909779
Energy: 0.6061314903929133
Energy: 0.5855963814514703
Energy: 0.58745091169485
Energy: 0.6053331781273286
Energy: 0.6312282574406102
Energy: 0.6064254550970479
Energy: 0.5899317550379048
Energy: 0.5898497597566408
Energy: 0.6071426389590607
Energy: 0.5842687869143693
Energy: 0.5890618406030023
Energy: 0.5884341226469603
Energy: 0.5842682386174337
Energy: 0.601249365403762
Energy: 0.5853723503459528
Energy: 0.588145991083601
Energy: 0.6128264617269803
Energy: 0.6131382123468946
Energy: 0.587918584022891
Energy: 0.6140625294700193
Energy: 0.585525387061354
Energy: 0.6211329118188335
Energy: 0.611690381685447
Energy: 0.6172326038550366
Energy: 0.5752317951322141
Energy: 0.6056092728201803
Energy: 0.5964245242054314
Energy: 0.6212678232652902
Energy: 0.6153192546146368
Energy: 0.6115279894620003
Energy: 0.6222791960929548
Energy: 0.6431266087946282
Energy: 0.6198596647228327
Energy: 0.6156030032076293
Energy: 0.6212149679508016
Energy: 0.6211032715451444
Energy: 0.6165727225376358
Energy: 0.6033104139347292
Energy: 0.6115395552858068
Energy: 0.7216225354313226
Energy: 0.6215499391033988
Energy: 0.6212352551693358
Energy: 0.6852246896001492
Energy: 0.6222551823397752
Energy: 0.6209147914334351
Energy: 0.6964175870485567
Energy: 0.6561665814461638
Energy: 0.6582235043956994
Energy: 0.6568143057605974
Energy: 0.6569962910499718
Energy: 0.6334255767151009
Energy: 0.6805040818117073
Energy: 0.6555343744064968
Energy: 0.6735505939501093
Energy: 0.6204566256937721
Energy: 0.6836915417163358
Energy: 0.6195910934393055
Energy: 0.6398332594250747
Energy: 0.6543961940931957
Energy: 0.6560254497120814
Energy: 0.6428638369389037
Energy: 0.6553050354857886
Energy: 0.6540801438081106
Energy: 0.7200843083714685
Energy: 0.6482362502109009
Energy: 0.6476934954484188
Energy: 0.6958984043603936
Energy: 0.6252215449138564
Energy: 0.6466998778127084
Energy: 0.6959744330879383
Energy: 0.6474913921023204
Energy: 0.6468935850393025
Energy: 0.6922880759595147
Energy: 0.648357888804922
Energy: 0.6465824715919173
Energy: 0.6239429192501839
Energy: 0.6543642425174767
Energy: 0.6572085283177037
Energy: 0.6153781334531722
Energy: 0.6551333850460224
Energy: 0.6568360138104028
Energy: 0.6560666762518838
Energy: 0.6540213411658391
Energy: 0.6539749184218377
Energy: 0.6046777669137982
Energy: 0.6610344303840727
Energy: 0.6081127730510281
Energy: 0.6236966060006133
Energy: 0.6581451749536944
Energy: 0.6558726932275465
Energy: 0.6172968010515845
Energy: 0.6568403990967139
Energy: 0.6172043685201285
Energy: 0.6419075260515305
Energy: 0.6065673626424625
Energy: 0.6161470451228247
Energy: 0.6427472530582146
Energy: 0.6067651393027971
Energy: 0.6119711081138763
Energy: 0.6068319332735636
Energy: 0.6131613100271425
Energy: 0.6113534679242849
Energy: 0.6137848204233258
Energy: 0.6153235042924136
Energy: 0.6142534526720933
Energy: 0.6060474850828181
Energy: 0.5922133266890253
Energy: 0.5852270408260387
Energy: 0.6140779307244479
Energy: 0.5871470817125293
Energy: 0.5878592148120615
Energy: 0.6062934872987381
Energy: 0.5896633369844235
Energy: 0.6051862117651501
Energy: 0.5864617060117551
Energy: 0.5916745860232556
Energy: 0.5888422509912531
Energy: 0.5843348350245642
Energy: 0.5887950059572344
Energy: 0.5884843784744048
Energy: 0.5842878308107086
Energy: 0.6049917463281062
Energy: 0.584466197251373
Energy: 0.591205451517961
Energy: 0.6116119442426632
Energy: 0.601647618172408
Energy: 0.58835192431394
Energy: 0.6127131912196374
Energy: 0.5851126636714246
Energy: 0.6211900204470042
Energy: 0.6114573964274985
Energy: 0.6107356577460729
Energy: 0.5757824105332333
Energy: 0.6118405913440198
Energy: 0.6117212435158815
Energy: 0.6216657839538003
Energy: 0.6116628842731102
Energy: 0.6116357377712175
Energy: 0.6237518180406145
Energy: 0.6422256862574783
Energy: 0.6199781005919741
Energy: 0.6161706690901216
Energy: 0.6269587856305332
Energy: 0.6114325949806352
Energy: 0.6162164688309129
Energy: 0.6028437936101818
Energy: 0.6113952989681724
Energy: 0.7204633688816734
Energy: 0.6218160803503299
Energy: 0.62146938453154
Energy: 0.6851484053711897
Energy: 0.5651838527018361
Energy: 0.6210695423259115
Energy: 0.695148468257658
Energy: 0.6576374336957679
Energy: 0.6113610065277517
Energy: 0.6568172609525443
Energy: 0.6594094107272819
Energy: 0.656825809447642
Energy: 0.6805367198928599
Energy: 0.6535236240612242
Energy: 0.6730521137353187
Energy: 0.6201629753917663
Energy: 0.6846247278630808
Energy: 0.6195205224236879

minimum gb energy = 0.5651838527018361 eV
minimum distance =  2.67604539790562 Angstroms
sigma value = 41


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

Energy: 0.8834934696314597
Energy: 0.774076622538833
Energy: 0.7764223178145765
Energy: 0.6858119179025253
Energy: 0.7121176194777141
Energy: 0.7703840289889115
Energy: 0.7107059569893946
Energy: 0.7150456120533641
Energy: 0.6977906732972977
Energy: 0.7152116222237274
Energy: 0.713953009755692
Energy: 0.6994462133473397
Energy: 0.781161681811322
Energy: 0.6957560296109642
Energy: 0.6953384271501352
Energy: 0.7126578005682006
Energy: 0.6894104663803945
Energy: 0.6937528774694213
Energy: 0.7138094542974642
Energy: 0.6963870067600741
Energy: 0.6955135328898179
Energy: 0.7156545451010549
Energy: 0.6905491433018686
Energy: 0.6776077018144842
Energy: 0.6825882737097687
Energy: 0.7142447659500138
Energy: 0.6966293371599306
Energy: 0.6836788707111178
Energy: 0.7123763922826298
Energy: 0.6990235361800122
Energy: 0.7078590249435306
Energy: 0.7034555762281796
Energy: 0.6977382662768156
Energy: 0.694902958129583
Energy: 0.7028238656291976
Energy: 0.6784283371385175
Energy: 0.6847457267016999
Energy: 0.7162630379405951
Energy: 0.7173938393326454
Energy: 0.6837735620618738
Energy: 0.7164400394088223
Energy: 0.6661424227593816
Energy: 0.6870060984188594
Energy: 0.6716383664601522
Energy: 0.6698461810500024
Energy: 0.6876349633853721
Energy: 0.6667563772424528
Energy: 0.6693518424755072
Energy: 0.7047321218046764
Energy: 0.6801134162385681
Energy: 0.6787875062830898
Energy: 0.6765714262182276
Energy: 0.6802583663852142
Energy: 0.6779818199903709
Energy: 0.7051295568832087
Energy: 0.6882801720921435
Energy: 0.6689423463126775
Energy: 0.6655140621820741
Energy: 0.6828918411426479
Energy: 0.6694766355566406
Energy: 0.7095244424910233
Energy: 0.6647888020889116
Energy: 0.7006465865838587
Energy: 0.6983513680226205
Energy: 0.6824907489360643
Energy: 0.7021196393380643
Energy: 0.7726977203248843
Energy: 0.6790260741518179
Energy: 0.6776663071022182
Energy: 0.7136568810445154
Energy: 0.6460806041511168
Energy: 0.677718155896476
Energy: 0.7788924036572799
Energy: 0.698671935207878
Energy: 0.6890912558771352
Energy: 0.7165927725942407
Energy: 0.7180489834036403
Energy: 0.698603540898349
Energy: 0.8041053600983925
Energy: 0.7126969608173965
Energy: 0.7030367638429016
Energy: 0.677555573181243
Energy: 0.712130614927839
Energy: 0.6968074673424346

minimum gb energy = 0.6460806041511168 eV
minimum distance =  2.66356977467522 Angstroms
sigma value = 11


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

Energy: 0.806719910255062
Energy: 0.8554600235786625
Energy: 0.8724178997407542
Energy: 0.7617404177997322
Energy: 0.9622120664917022
Energy: 0.8932517291527936
Energy: 0.7941514208143775
Energy: 0.7405854002575162
Energy: 0.7425861178493399
Energy: 0.7320781581200139
Energy: 0.7420693780948389
Energy: 0.7277132754461003
Energy: 0.8523743208481431
Energy: 0.7291336774499255
Energy: 0.72315740288523
Energy: 0.7271050472190188
Energy: 0.7300389211928605
Energy: 0.7284992831036159
Energy: 0.7273720413358724
Energy: 0.7287056710399146
Energy: 0.7366011816981369
Energy: 0.7273784428926356
Energy: 0.7291729342415711
Energy: 0.7295003693768751
Energy: 0.7290910987198702
Energy: 0.7430075445361208
Energy: 0.7401102207263731
Energy: 0.729892487652181
Energy: 0.7428095127220802
Energy: 0.7284785062734792
Energy: 0.7237422323689054
Energy: 0.7653755184189868
Energy: 0.7451549303299285
Energy: 0.7298193240562066
Energy: 0.7832633909195708
Energy: 0.7237347071286815
Energy: 0.7804989556601408
Energy: 0.7341067356636283
Energy: 0.7863644609029428
Energy: 0.7853463752534724
Energy: 0.7220887517641543
Energy: 0.7276239952660322
Energy: 0.7583212230035338
Energy: 0.7351320242968001
Energy: 0.7241983494790485
Energy: 0.7420185426834536
Energy: 0.7309554066849829
Energy: 0.7414774991595277
Energy: 0.7756349772852592
Energy: 0.7287326145635656
Energy: 0.7294010679117078
Energy: 0.7260096337468046
Energy: 0.7274541162939847
Energy: 0.7214807701848303
Energy: 0.7754515611843249
Energy: 0.728862198748259
Energy: 0.7299125137120654
Energy: 0.7980430093790566
Energy: 0.7280089653821599
Energy: 0.7214124982400814
Energy: 0.7585251734014851
Energy: 0.7380664321848681
Energy: 0.7240082512753898
Energy: 0.7419318661093771
Energy: 0.7300624550581434
Energy: 0.740388624127567
Energy: 0.8142062966331733
Energy: 0.7437727414394248
Energy: 0.7754254000920856
Energy: 0.8147984052772755
Energy: 0.7202524442117142
Energy: 0.7753393962490837
Energy: 0.7454768549369607
Energy: 0.7244196261382295
Energy: 0.7303524356715175
Energy: 0.7436060932569148
Energy: 0.7273077428496204
Energy: 0.7292965870600634
Energy: 0.729980536417056
Energy: 0.7293253524058996
Energy: 0.7282799832578029
Energy: 0.7495465598915859
Energy: 0.727213286829712
Energy: 0.7286476297384926
Energy: 0.755193036275787
Energy: 0.7392744525980526
Energy: 0.7231967490394728
Energy: 0.7556400439672977
Energy: 0.7287493024737558
Energy: 0.7287394613095308
Energy: 0.7463242984019438
Energy: 0.7234816111598973
Energy: 0.7302886572790015
Energy: 0.7477542648179352
Energy: 0.733532818772528
Energy: 0.7467689489998314
Energy: 0.7606551156025698
Energy: 0.7289180887193941
Energy: 0.7236524837470866
Energy: 0.7610775376870536
Energy: 0.727846261119836
Energy: 0.7255573219719595
Energy: 0.7201183374067167
Energy: 0.7564766426663951
Energy: 0.7421023787741787
Energy: 0.7331658113468625
Energy: 0.7847178640669712
Energy: 0.8116150447395847
Energy: 0.7299293488501558
Energy: 0.7250552215458468
Energy: 0.7325991204441519
Energy: 0.7305202154722893
Energy: 0.7324404692942382
Energy: 0.7251134172085728
Energy: 0.7309315716966115
Energy: 0.7290489453152093
Energy: 0.7188965629865023
Energy: 0.731097515440438
Energy: 0.7307528013626278
Energy: 0.7327149151415387
Energy: 0.7856626952371007
Energy: 0.7287869936466247
Energy: 0.7316492243006808
Energy: 0.7325649800690768
Energy: 0.7296988909566176
Energy: 0.7313532931604209
Energy: 0.7825039422476284
Energy: 0.7246436266579926
Energy: 0.731358647245696
Energy: 0.7742661773077055
Energy: 0.73276400783169
Energy: 0.7343540175998794
Energy: 0.7824857056587768
Energy: 0.7315892454400661
Energy: 0.7462155747616924
Energy: 0.7284982562664145
Energy: 0.7284759964432589
Energy: 0.7261321203268738
Energy: 0.783890379645095
Energy: 0.7322845397048976
Energy: 0.7320443114657952
Energy: 0.7317780364921739
Energy: 0.7321248014974858
Energy: 0.7279106478379557
Energy: 0.8152298353117918
Energy: 0.7304844072454724
Energy: 0.7263184074730624
Energy: 0.81534716954925
Energy: 0.72611080602777
Energy: 0.7329817069427415
Energy: 0.7373052745476745
Energy: 0.7412195307929582
Energy: 0.7314141417323673
Energy: 0.7359445115288303
Energy: 0.7614344577651905
Energy: 0.7234500012937066
Energy: 0.7283598646922708
Energy: 0.746592008318425
Energy: 0.747187639718591
Energy: 0.7359389665551784
Energy: 0.7489507398783506
Energy: 0.7324140676849392
Energy: 0.7369496802383714
Energy: 0.7402820783276891
Energy: 0.7301065808634906
Energy: 0.7326545734557502
Energy: 0.7543948779798991
Energy: 0.7230856384187936
Energy: 0.861809468023754
Energy: 0.728223165305672
Energy: 0.7275585437564243
Energy: 0.7578619750891875
Energy: 0.730072009083287
Energy: 0.729141629547023
Energy: 0.846458503671858
Energy: 0.7429651178694737
Energy: 0.7602121314009588
Energy: 0.727437841990641
Energy: 0.7469883387874651
Energy: 0.7230592491763451
Energy: 0.906500388858154
Energy: 0.7822297336898453
Energy: 0.7704052211332243
Energy: 0.7344756872994841
Energy: 0.7815840064226831
Energy: 0.7726200914119647

minimum gb energy = 0.7188965629865023 eV
minimum distance =  2.68785401850673 Angstroms
sigma value = 57


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

Energy: 1.1000938758887306
Energy: 0.6826412225809222
Energy: 0.686107168512287
Energy: 0.9175893958506453
Energy: 0.6853825087672258
Energy: 0.9168263178760709
Energy: 0.7067400136933454
Energy: 0.6893270211259015
Energy: 0.6889274173179035
Energy: 0.6845640305083793
Energy: 0.6867790509059212
Energy: 0.6635371645807935
Energy: 0.8178228257330736
Energy: 0.6599108856704098
Energy: 0.6600848950741292
Energy: 0.8190601324337274
Energy: 0.6601930964223414
Energy: 0.6886494286187543
Energy: 0.6840662089187893
Energy: 0.6889882946173028
Energy: 0.7308525639054078
Energy: 0.6865800811172577
Energy: 0.8071840999250942
Energy: 0.6885022044958856
Energy: 0.705950777480906
Energy: 0.6882835569765746
Energy: 0.6883252877452025
Energy: 0.6888521683652916
Energy: 0.6888660032612263
Energy: 0.6887812464094377
Energy: 0.6869602630852486
Energy: 0.7072850700290221
Energy: 0.6639585340281119
Energy: 0.6961405589393105
Energy: 0.7045515099400391
Energy: 0.6626262103320947
Energy: 0.7047713289957193
Energy: 0.6482793463756225
Energy: 0.6484219671591691
Energy: 0.7040863769038972
Energy: 0.657467834500557
Energy: 0.6633234381110675
Energy: 0.8030056017954478
Energy: 0.6880422754055653
Energy: 0.6902454966633154
Energy: 0.6883301265225484
Energy: 0.7056859974907803
Energy: 0.6627756499930761
Energy: 0.7061216202001963
Energy: 0.6880247896942008
Energy: 0.6483538443403103
Energy: 0.6490644353018249
Energy: 0.6881300364708608
Energy: 0.6487449077285525
Energy: 0.7060648641217402
Energy: 0.6884067372176529
Energy: 0.648296597027092
Energy: 0.6488039877164625
Energy: 0.6891518676136413
Energy: 0.6486688343069338
Energy: 0.8037970026789695
Energy: 0.6894317404744078
Energy: 0.6834562053177872
Energy: 0.6885232155874238
Energy: 0.6865274541919795
Energy: 0.6896691076046281
Energy: 0.684826996584872
Energy: 0.6599278103863929
Energy: 0.659661534316519
Energy: 0.6848423372911377
Energy: 0.660362143015277
Energy: 0.6888674639038772
Energy: 0.6841440558938939
Energy: 0.6884941976581411
Energy: 0.6881596653281318
Energy: 0.6849494658409275
Energy: 0.686649208421448
Energy: 0.6615208548031967
Energy: 0.6859452496918695
Energy: 0.8227815151684269
Energy: 0.6897346104060709
Energy: 0.6963365889625901
Energy: 0.824589574756014
Energy: 0.6899633565840833
Energy: 0.7047332235591885
Energy: 0.6475595244844725
Energy: 0.664431526309643
Energy: 0.7050751392262904
Energy: 0.6489007659744647
Energy: 0.6618783613308703
Energy: 0.8175525073938844
Energy: 0.6474075489956098
Energy: 0.6476212500285163
Energy: 0.8194190830403895
Energy: 0.6492791268833679
Energy: 0.6892543836555536
Energy: 0.706755748523764
Energy: 0.6881381812474495
Energy: 0.6888805711211163
Energy: 0.7071987594758701
Energy: 0.6868853888871539
Energy: 0.6978344391372429

minimum gb energy = 0.6474075489956098 eV
minimum distance =  2.69452541243268 Angstroms
sigma value = 9


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

Energy: 0.8813358657801058
Energy: 0.8961978053203532
Energy: 0.8596086617207476
Energy: 0.8285525925279197
Energy: 0.8223145837510647
Energy: 0.8601261273247114
Energy: 0.8293526781739597
Energy: 0.7732756626808139
Energy: 0.8146726535495026
Energy: 0.750874417417374
Energy: 0.7832623780461939
Energy: 0.7761430873545995
Energy: 0.787903677600935
Energy: 0.7552292264667896
Energy: 0.7542651503695048
Energy: 0.7884564445221837
Energy: 0.7543223428893902
Energy: 0.8387813831833868
Energy: 0.7835133485033564
Energy: 0.7746998357354523
Energy: 0.7540706380792643
Energy: 0.7930854936227291
Energy: 0.7756478381034885
Energy: 0.7736007595018827
Energy: 0.7553804594745144
Energy: 0.7827311719222001
Energy: 0.7875135264110974
Energy: 0.7527394621513271
Energy: 0.7952595100551159
Energy: 0.7902917844933404
Energy: 0.7416826876500187
Energy: 0.7562543911282547
Energy: 0.7504596330332957
Energy: 0.7424140619359797
Energy: 0.7553695665984013
Energy: 0.7772440584170701
Energy: 0.7744124633772488
Energy: 0.7630292753037076
Energy: 0.7411664530810115
Energy: 0.7704121410014062
Energy: 0.8190578648155082
Energy: 0.8241434558604259
Energy: 0.7931983183206615
Energy: 0.7957448605986099
Energy: 0.7884037690999146
Energy: 0.7842558723274664
Energy: 0.792431996784349
Energy: 0.7473932993385906
Energy: 0.8658426144879761
Energy: 0.7913006527174749
Energy: 0.7609552858922696
Energy: 0.7715485912810075
Energy: 0.7861960427938263
Energy: 0.7489268463224167
Energy: 0.7978631859851549
Energy: 0.7600351425268519
Energy: 0.7603999693023471
Energy: 0.7571229047959283
Energy: 0.7579284720709544
Energy: 0.7606381604334255
Energy: 0.7939685270141107
Energy: 0.7909083233455951
Energy: 0.7898552523513602
Energy: 0.7841458396114396
Energy: 0.7794964844075905
Energy: 0.7876209401300126
Energy: 0.7926048629229295
Energy: 0.7556863809911156
Energy: 0.7937356731408882
Energy: 0.7850337175483156
Energy: 0.7509486443723764
Energy: 0.7919191617330422
Energy: 0.8931161541681458
Energy: 0.7659668648464244
Energy: 0.756626379215366
Energy: 0.7379275915716769
Energy: 0.7640615009181202
Energy: 0.749851240508687
Energy: 0.8396665392340118
Energy: 0.7906038276840899
Energy: 0.7905472964666095
Energy: 0.7455087306300759
Energy: 0.7550444775938393
Energy: 0.7554190368633217
Energy: 0.7868788535667108
Energy: 0.7989470619732018
Energy: 0.7687244977524803
Energy: 0.7873529135458325
Energy: 0.7564570871526449
Energy: 0.7811156134996676
Energy: 0.7846348394342505
Energy: 0.7437571829043227
Energy: 0.7605536872852072
Energy: 0.7825922582829601
Energy: 0.742348958016373
Energy: 0.781794442458213
Energy: 0.7680743106264237
Energy: 0.7750640264316908
Energy: 0.7759753183544118
Energy: 0.7859573595461962
Energy: 0.7735142554403016
Energy: 0.790406476220647
Energy: 0.8326491865672243
Energy: 0.7917035245828263
Energy: 0.777569763732828
Energy: 0.7603582557181462
Energy: 0.7884185023007788
Energy: 0.7632535640384032
Energy: 0.7786266713422134
Energy: 0.7573706679516672
Energy: 0.7749355496826832
Energy: 0.7777728960722783
Energy: 0.7611604384846542
Energy: 0.7763664616456094
Energy: 0.7899664166109338
Energy: 0.7736865676235642
Energy: 0.77418476337064
Energy: 0.7908259019141565
Energy: 0.7557946161779402
Energy: 0.7531979427280346
Energy: 0.8182672051933523
Energy: 0.7931438589274367
Energy: 0.7879775267756064
Energy: 0.7688958219572972
Energy: 0.7805473043895197
Energy: 0.7648871463135405

minimum gb energy = 0.7379275915716769 eV
minimum distance =  2.6771133767724 Angstroms
sigma value = 27


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

Energy: 0.867028261155987
Energy: 0.8154487458616899
Energy: 0.7993734614954107
Energy: 0.8656542386014627
Energy: 1.0630499609805408
Energy: 0.8005156023564035
Energy: 0.7750952358626804
Energy: 0.8268810749047899
Energy: 0.8108047358834423
Energy: 0.8114375735167043
Energy: 0.8266802000410356
Energy: 0.804957205533426
Energy: 0.7726789539795668
Energy: 0.7854584857171945
Energy: 0.8076613136291855
Energy: 0.7559429888574681
Energy: 0.7453769874845417
Energy: 0.7561444523095223
Energy: 0.8181872899554806
Energy: 0.8011608533469388
Energy: 0.8001312464357883
Energy: 0.8085271954211483
Energy: 0.7730696629377427
Energy: 0.7831130602752273
Energy: 0.7455854913811136
Energy: 0.7980902871710324
Energy: 0.858580032008329
Energy: 0.7463840503538222
Energy: 0.8090677126198663
Energy: 0.8366871814738686
Energy: 0.768939786972078
Energy: 0.8046698867305935
Energy: 0.7999016270846808
Energy: 0.7522660678999663
Energy: 0.8220801949378633
Energy: 0.800792031564284
Energy: 0.8030103721352999
Energy: 0.712557797678974
Energy: 0.7610785890213451
Energy: 0.8036676154646687
Energy: 0.7124694513880918
Energy: 0.7366669395752544
Energy: 0.803659720950941
Energy: 0.7423337555221432
Energy: 0.7769554907205778
Energy: 0.7885729907182626
Energy: 0.7137272802418381
Energy: 0.7996030205830024
Energy: 0.8215325154784018
Energy: 0.7701833130459544
Energy: 0.7690906648586874
Energy: 0.7836150347446232
Energy: 0.7796467027263441
Energy: 0.7846166418628868
Energy: 0.8348366898613874
Energy: 0.7657683411001424
Energy: 0.7831874735588154
Energy: 0.7655519583739347
Energy: 0.7675963689195199
Energy: 0.7835807402964916
Energy: 0.8036251824908821
Energy: 0.8102880066626592
Energy: 0.8088352760674813
Energy: 0.7969160575049336
Energy: 0.7543937380913335
Energy: 0.8139644890482646
Energy: 0.8182012379946563
Energy: 0.7749832897257515
Energy: 0.7773628310613545
Energy: 0.8221552262009997
Energy: 0.7700382766705205
Energy: 0.7887159030180056
Energy: 0.7135511360296608
Energy: 0.7977818985571645
Energy: 0.7350309358989372
Energy: 0.7118267577619749
Energy: 0.8032513198111826
Energy: 0.7649973324164556
Energy: 0.712272280346391
Energy: 0.7838837985969009
Energy: 0.7712050557546213
Energy: 0.7133625177154016
Energy: 0.7970827034526418
Energy: 0.7429639377085412
Energy: 0.7905290595144443
Energy: 0.7767310047933588
Energy: 0.7797222395687762
Energy: 0.7762272777796511
Energy: 0.7629782642305853
Energy: 0.7891349007257488
Energy: 0.8014039527409083
Energy: 0.7809919198206488
Energy: 0.7765596013736308
Energy: 0.7910278167506565
Energy: 0.7860296018878568
Energy: 0.7681357296068669
Energy: 0.7457380508604383
Energy: 0.8092309797678308
Energy: 0.7924764334601258
Energy: 0.7467751371878585
Energy: 0.8118705411406021
Energy: 0.7923127747670616
Energy: 0.7903239639560621
Energy: 0.8095797584664723
Energy: 0.7820044181687634
Energy: 0.7606363237651219
Energy: 0.809479756399424
Energy: 0.7890012566876117
Energy: 0.8036110149817366
Energy: 0.7151812841680234
Energy: 0.7440146105506309
Energy: 0.8036278240894481
Energy: 0.7132970898215529
Energy: 0.7452261872614505
Energy: 0.803952902983373
Energy: 0.7153550054420702
Energy: 0.7142386362339622
Energy: 0.803935092455404
Energy: 0.713649694828952
Energy: 0.7408238524049422
Energy: 0.8056039573183906
Energy: 0.7761096631826557
Energy: 0.7990982163658893
Energy: 0.7598827098058614
Energy: 0.800907406635228
Energy: 0.7990339747216468
Energy: 0.7547853146437761
Energy: 0.8306895214697188
Energy: 0.8322121411035202
Energy: 0.7560181242959043
Energy: 0.8317038144567801
Energy: 0.8270167496966127
Energy: 0.8041198371047616
Energy: 0.7732301408019973
Energy: 0.8166932702480729
Energy: 0.810801593567561
Energy: 0.7708857980675006
Energy: 0.8151206256034944
Energy: 0.8053584668745903
Energy: 0.797481365221905
Energy: 0.7867155492709501
Energy: 0.7891383995671095
Energy: 0.7627590921477228
Energy: 0.8052140747983108
Energy: 0.7887862126814708
Energy: 0.8266536669560695
Energy: 0.8276285170607639
Energy: 0.7894336215341572
Energy: 0.8263976947614304
Energy: 0.7819591278756731

minimum gb energy = 0.7118267577619749 eV
minimum distance =  2.67877932448656 Angstroms
sigma value = 19


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

Energy: 1.1319745283046752
Energy: 0.8619959435093365
Energy: 1.0800749298007195
Energy: 0.9699152869969399
Energy: 0.8090738767856616
Energy: 1.0827041921015026
Energy: 0.7839249009673975
Energy: 0.7656840760323067
Energy: 0.7764069250670954
Energy: 0.7904069729428702
Energy: 0.756433378058956
Energy: 0.7805142152734872
Energy: 0.8044733654190506
Energy: 0.7609196275636291
Energy: 0.7879131795454906
Energy: 0.7969881869330121
Energy: 0.7609249256820171
Energy: 0.8369431647264507
Energy: 0.7914717060232953
Energy: 0.7850822429012804
Energy: 0.7842980587951498
Energy: 0.8001730268339513
Energy: 0.7599221687428287
Energy: 0.7837658633784
Energy: 0.7683752493739832
Energy: 0.8488195271312959
Energy: 0.8394608320255393
Energy: 0.7692386783128301
Energy: 0.8436815575741008
Energy: 0.8386200675127288
Energy: 0.7760109028129711
Energy: 0.784986054917367
Energy: 0.7841887218510611
Energy: 0.7756149212506905
Energy: 0.7871445346079855
Energy: 0.7766404065697973
Energy: 0.8129150959143161
Energy: 0.7613748108529776
Energy: 0.7794926359425827
Energy: 0.786904330718982
Energy: 0.7658258703593536
Energy: 0.7537708802088899
Energy: 0.8072143085776452
Energy: 0.7776711411220777
Energy: 0.7817585394158321
Energy: 0.807936044332127
Energy: 0.7778333335151936
Energy: 0.7881911320033242
Energy: 0.7560932949369598
Energy: 0.7847919067511736
Energy: 0.7735845169121379
Energy: 0.7579562361375354
Energy: 0.7942993020742541
Energy: 0.7678233037640566
Energy: 0.7610212347397589
Energy: 0.7976813741048941
Energy: 0.7855729893481458
Energy: 0.7633882687084221
Energy: 0.7795091566520318
Energy: 0.7805592867860799
Energy: 0.9495933360796998
Energy: 0.7740219764931331
Energy: 0.8893880462422219
Energy: 0.9462989270336639
Energy: 0.7430227039123334
Energy: 0.7638880486245494
Energy: 0.7867508250325888
Energy: 0.746818647552111
Energy: 0.7688762124450395
Energy: 0.7884397533879673
Energy: 0.7419355787466513
Energy: 0.775710648045444
Energy: 0.7853129383203817
Energy: 0.7920544601510328
Energy: 0.7885821226581056
Energy: 0.7651616840309002
Energy: 0.7873835906361847
Energy: 0.7662731247117369
Energy: 0.8220508390480369
Energy: 0.7717332490231901
Energy: 0.7765509898048445
Energy: 0.7467339096304002
Energy: 0.7659187889134151
Energy: 0.7758943005005534
Energy: 0.7867727271522148
Energy: 0.7495196301447903
Energy: 0.7573750834264252
Energy: 0.7868110504928079
Energy: 0.7494035171024093
Energy: 0.7647392764365342
Energy: 0.7865040603459661
Energy: 0.7527915431688417
Energy: 0.7645314797295892
Energy: 0.7854287726711894
Energy: 0.7379122222602538
Energy: 0.7687889425241442
Energy: 0.7569786935562098
Energy: 0.7721429377209276
Energy: 0.7905070965372961
Energy: 0.7417569286037914
Energy: 0.7742340665675296
Energy: 0.7709180024710428
Energy: 0.8126949274680596
Energy: 0.7728547072649495
Energy: 0.7724005199552405
Energy: 0.7421597699990818
Energy: 0.8011067695642106
Energy: 0.7718690821315406
Energy: 0.8051020540694046
Energy: 0.7579666193662784
Energy: 0.7601757425689631
Energy: 0.7998330763907961
Energy: 0.7675855404895895
Energy: 0.7643480939419486
Energy: 0.7903451390131289
Energy: 0.7644188512156058
Energy: 0.7806314274579503
Energy: 0.7910483728180158
Energy: 0.7445233203213445
Energy: 0.7822472799441864
Energy: 0.7529537320109569
Energy: 0.7728560426351324
Energy: 0.7688507645154561
Energy: 0.7534607007823593
Energy: 0.7860303450194209
Energy: 0.7646268463292234
Energy: 0.7459041475981623
Energy: 0.7827943266793551
Energy: 0.779939803171618
Energy: 0.7465757388378272
Energy: 0.7602407316899435
Energy: 0.7610221742859801
Energy: 0.7832441625575711
Energy: 0.7711773733918402
Energy: 0.7635567929125225
Energy: 0.7837818153728737
Energy: 0.7873842602793292
Energy: 0.7586775616691486
Energy: 0.8154798040660395
Energy: 0.7596805658289069
Energy: 0.7719490688495897
Energy: 0.8158956347329416
Energy: 0.7410903079256386
Energy: 0.7731953235790119
Energy: 0.7933381621121646
Energy: 0.7730475371558739
Energy: 0.7642236584502383
Energy: 0.7602950737734369
Energy: 0.794902917019607
Energy: 0.7716949389622413
Energy: 0.761537669912477
Energy: 0.7857953176321663
Energy: 0.7851418235864848
Energy: 0.7568789123813608
Energy: 0.7854648259017668
Energy: 0.7668165579899971
Energy: 0.7939638103335296
Energy: 0.7656933700985201
Energy: 0.7660933654495414
Energy: 0.7872778994405788
Energy: 0.7641698957679287
Energy: 0.7796574091821178
Energy: 0.7978792320206928
Energy: 0.7611725868845016
Energy: 0.7695881152460027
Energy: 0.7932678673316194
Energy: 0.7595763729795595
Energy: 0.7666283868502723
Energy: 0.807062089756965
Energy: 0.7982384142318122
Energy: 0.7984919583144982
Energy: 0.7330974326950723
Energy: 0.7982352173877812
Energy: 0.7590495761063133

minimum gb energy = 0.7330974326950723 eV
minimum distance =  2.6759001797896 Angstroms
sigma value = 101


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

Energy: 1.0696418893879291
Energy: 1.1290977690803399
Energy: 1.1299243559247019
Energy: 0.9372772929803876
Energy: 0.7481586954783059
Energy: 0.9372679269851932
Energy: 0.7603069037692117
Energy: 0.7386402369559967
Energy: 0.7371628347380512
Energy: 0.7395143694613907
Energy: 0.7423670836720446
Energy: 0.7464926991808665
Energy: 0.8856628931118101
Energy: 0.757480276269419
Energy: 0.7545090479405415
Energy: 0.8605869008510726
Energy: 0.7392277592973316
Energy: 0.7634419978868131
Energy: 0.7714055513260196
Energy: 0.7471269433274927
Energy: 0.745357608877529
Energy: 0.7459025764699457
Energy: 0.7478412367128199
Energy: 0.7447507697930608
Energy: 0.7783944200218993
Energy: 0.8615192158114765
Energy: 0.8589198101068856
Energy: 0.7499166664498482
Energy: 0.8577126827400009
Energy: 0.7654876727224242
Energy: 0.7508540231177413
Energy: 0.7365056009932023
Energy: 0.7483927929666617
Energy: 0.7588307679209301
Energy: 0.7345328721776203
Energy: 0.7450234885479129
Energy: 0.7781103145416348
Energy: 0.7535784778057741
Energy: 0.7538132280915995
Energy: 0.763243143066066
Energy: 0.754773441430819
Energy: 0.8629023339050754
Energy: 0.7518434255874958
Energy: 0.7481885628152469
Energy: 0.7443416769886269
Energy: 0.7612649531816646
Energy: 0.7414656184306864
Energy: 0.7668039817322799
Energy: 0.7343645187718523
Energy: 0.7587895093982076
Energy: 0.7492060245424672
Energy: 0.73545784660887
Energy: 0.7728951897161394
Energy: 0.7400741439816947
Energy: 0.7383316849918329
Energy: 0.7531625905649573
Energy: 0.746269170600263
Energy: 0.7577953580597073
Energy: 0.7427265924784776
Energy: 0.7460758014183094
Energy: 0.8594903973794998
Energy: 0.7501736558317262
Energy: 0.7510165699259755
Energy: 0.8605223836187541
Energy: 0.7503156614075572
Energy: 0.9442407412621959
Energy: 0.7784890278108025
Energy: 0.7405753719913956
Energy: 0.743586614156263
Energy: 0.7629064100824967
Energy: 0.7385704253467965
Energy: 0.7430295718858447
Energy: 0.7495316722605537
Energy: 0.7599787863538269
Energy: 0.7428629837992785
Energy: 0.7344487417211208
Energy: 0.766234503810398
Energy: 0.7432469704077393
Energy: 0.7455990574677529
Energy: 0.7547030968311667
Energy: 0.7535594600291536
Energy: 0.7331463896517226
Energy: 0.7404842715610919
Energy: 0.7540886554241835
Energy: 0.788227938692387
Energy: 0.7536951806229965
Energy: 0.7440656869443736
Energy: 0.7889826899792935
Energy: 0.7519670491236602
Energy: 0.746826945873521
Energy: 0.7876213153563894
Energy: 0.7343513517963316
Energy: 0.7372650645666484
Energy: 0.7546115297799374
Energy: 0.7350425978990631
Energy: 0.7449140214540318
Energy: 0.7426331274245911
Energy: 0.7605338165230494
Energy: 0.742667522989468
Energy: 0.7216242655176534
Energy: 0.8009864669910192
Energy: 0.9369815099069057
Energy: 0.7596802515105606
Energy: 0.7614571039692664
Energy: 0.7533863152836434
Energy: 0.7426371681960793
Energy: 0.757336837686593
Energy: 0.7477178594038726
Energy: 0.7882046780796917
Energy: 0.7396998051444497
Energy: 0.7369444366305946
Energy: 0.7708028854625687
Energy: 0.7365758532206998
Energy: 0.7351713005068196
Energy: 0.7625200491390279
Energy: 0.7377496172637381
Energy: 0.7468344852534957
Energy: 0.7564178265038828
Energy: 0.7368404607414264
Energy: 0.7514862477738512
Energy: 0.7519761862217911
Energy: 0.75003016315947
Energy: 0.8603836156602698
Energy: 0.7503125696768271
Energy: 0.7496794015926292
Energy: 0.7315267057120026
Energy: 0.7503280214842265
Energy: 0.7342900973090092
Energy: 0.7394176209962577
Energy: 0.750855562293782
Energy: 0.7563229836614896
Energy: 0.7372714923812642
Energy: 0.7637527524178885
Energy: 0.7333642529371457
Energy: 0.7382142724830921
Energy: 0.7574659940191979
Energy: 0.7514376949968825
Energy: 0.7332122107322446
Energy: 0.7680438341685408
Energy: 0.7344446983297295
Energy: 0.7451289343661803
Energy: 0.7617134609992688
Energy: 0.7390264921113869
Energy: 0.7571544633174834
Energy: 0.7375544156964821
Energy: 0.7464323041357261
Energy: 0.736746941148389
Energy: 0.7385019283021034
Energy: 0.7655493508399238
Energy: 0.7366275502064649
Energy: 0.7373573647217694
Energy: 0.750936171699733
Energy: 0.7445916986555992
Energy: 0.7380731566221765
Energy: 0.7654435834222071
Energy: 0.7366555847128442
Energy: 0.7737355705165704
Energy: 0.7228214755848894
Energy: 0.7263027682897791
Energy: 0.7752872694942273
Energy: 0.7208635939778364
Energy: 0.730003234729409
Energy: 0.7871712940341883
Energy: 0.7339548771993564
Energy: 0.7362804489272471
Energy: 0.7624612928097755
Energy: 0.7227117861745999
Energy: 0.7399121935475939
Energy: 0.7476580041478456
Energy: 0.751615037048048
Energy: 0.7398508922778906
Energy: 0.7351344551083296
Energy: 0.7732077374557853
Energy: 0.7476828110610882
Energy: 0.7456349789904085
Energy: 0.757310903190163
Energy: 0.747641034494931
Energy: 0.7323638491482515
Energy: 0.7586904773830339
Energy: 0.7478516971384027
Energy: 0.7866432591805516
Energy: 0.7416138773610242
Energy: 0.7375328803348805
Energy: 0.7626211832605271
Energy: 0.7396180400208627
Energy: 0.7394055350070408
Energy: 0.7880001129725436
Energy: 0.7390961154369514
Energy: 0.7356105714075033
Energy: 0.7654536953976553
Energy: 0.7354922659545035
Energy: 0.7337988148591303
Energy: 0.744816009885682
Energy: 0.7898797546693572
Energy: 0.7415132493364495
Energy: 0.7182918938701136
Energy: 0.7917682479664695
Energy: 0.7249149145885004

minimum gb energy = 0.7182918938701136 eV
minimum distance =  2.66748126721098 Angstroms
sigma value = 33


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

Energy: 0.012992482553583727
Energy: 0.01394665658738928
Energy: 0.013570590113070333
Energy: 0.014214049959176472
Energy: 0.5837070073513773
Energy: 0.013458458581940357
Energy: 0.014307594473266558
Energy: 0.079281595953523
Energy: 0.0785841103789167
Energy: 0.07828086764191475
Energy: 0.07832549876310614
Energy: 0.07798895113056589
Energy: 0.7711441981148329
Energy: 0.5857862624061734
Energy: 0.584714406441022
Energy: 0.5841245309333445
Energy: 0.5849144486804718
Energy: 0.5844461834791501
Energy: 0.01430759447394423
Energy: 0.07928159595487835
Energy: 0.07858411037959438
Energy: 0.07828086764294094
Energy: 0.07832549876378382
Energy: 0.07798895113089505

minimum gb energy = 0.012992482553583727 eV
minimum distance =  2.85056462026563 Angstroms
sigma value = 1