Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.17069959640503
cohesive_energy=3.1278918027780973
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -7.72422066253157 eV

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

Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 0.01030334978226217
Energy: 0.010555742509373845
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 1.7483501107334172
Energy: 0.009520207871180806
Energy: 0.00991595526792843
Energy: 1.7176338421455108
Energy: 0.00991595526792843
Energy: 0.009520207871180806
Energy: 1.7483501107334172
Energy: 0.009520207871180806
Energy: 0.00991595526792843
Energy: 1.7176338421455108
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 0.01030334978226217
Energy: 0.010555742509373845
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 1.7483501107334172
Energy: 0.009520207871180806
Energy: 0.00991595526792843
Energy: 1.7176338421455108
Energy: 0.00991595526792843
Energy: 0.009520207871180806
Energy: 1.7483501107334172
Energy: 0.009520207871180806
Energy: 0.00991595526792843
Energy: 1.7176338421455108
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 0.01030334978226217
Energy: 0.010555742509373845
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 1.7483501107334172
Energy: 0.009520207871180806
Energy: 0.00991595526792843
Energy: 1.7176338421455108
Energy: 0.00991595526792843
Energy: 0.009520207871180806
Energy: 1.7483501107334172
Energy: 0.009520207871180806
Energy: 0.00991595526792843
Energy: 1.7176338421455108
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188
Energy: 0.01030334978226217
Energy: 0.010555742509373845
Energy: 0.008920368288131739
Energy: 0.010555742509373845
Energy: 0.01030334978226217
Energy: 2.072811988278188

minimum gb energy = 0.008920368288131739 eV
minimum distance =  2.28495643967867 Angstroms
sigma value = 3


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

Energy: 2.455575121802272
Energy: 2.4559709576467874
Energy: 2.2809138667188646
Energy: 2.3187854716942677
Energy: 2.2797030619205394
Energy: 2.3919504337189013
Energy: 2.455575121802272
Energy: 2.45597095765139
Energy: 2.2809138667188646
Energy: 2.318786994386884
Energy: 2.3999722706391062
Energy: 2.325458846532768
Energy: 2.280183882540757
Energy: 2.419695994524867
Energy: 2.2687696927084007
Energy: 2.285055783988586
Energy: 2.3999722706437088
Energy: 2.3254588465281656
Energy: 2.280183882540757
Energy: 2.4196959952839614
Energy: 2.2958738629174227
Energy: 2.3158604923994863
Energy: 2.19803612468241
Energy: 2.3423844768789555
Energy: 2.2349003136704493
Energy: 2.2772527847072856
Energy: 2.2958738629174227
Energy: 2.3158604923994863
Energy: 2.19803612468241
Energy: 2.342384476874353
Energy: 2.189233198707036
Energy: 2.2887160846648644
Energy: 2.2587361887930673
Energy: 2.321580106103254
Energy: 2.232262867233432
Energy: 2.3135487646829564
Energy: 2.189233198707036
Energy: 2.2887160846648644
Energy: 2.2587361887930673
Energy: 2.3215801060986516
Energy: 2.304626176494838
Energy: 2.2870744974168926
Energy: 2.287582987962537
Energy: 2.293510582350102
Energy: 2.232529613268321
Energy: 2.208423301541815
Energy: 2.3046261764994407
Energy: 2.2870744974168926
Energy: 2.287582987962537
Energy: 2.293510582350102
Energy: 2.246529337942509
Energy: 2.1976248293662475
Energy: 2.2872269276974424
Energy: 2.224520299950414
Energy: 2.3064807576910997
Energy: 2.3890699873387407
Energy: 2.2465293379471114
Energy: 2.1976248293662475
Energy: 2.2872269276974424
Energy: 2.224520299950414
Energy: 2.299112919684882
Energy: 2.2587853276082273
Energy: 2.327136073926763
Energy: 2.2240048691700673
Energy: 2.2533912207425053
Energy: 2.3545422539765988
Energy: 2.299112919684882
Energy: 2.2587853276082273
Energy: 2.327136073926763
Energy: 2.2240048691700673
Energy: 2.3261334026991
Energy: 2.2803331921566823
Energy: 2.3459655877813623
Energy: 2.2236994431130266
Energy: 2.3357736445481527
Energy: 2.3406447381352624
Energy: 2.3261334026991
Energy: 2.2803331921566823
Energy: 2.3459655877813623
Energy: 2.223699443108424
Energy: 2.330323254717458
Energy: 2.280137968320492
Energy: 2.3298720122827397
Energy: 2.310046055950462
Energy: 2.326132435237012
Energy: 2.616894199151855
Energy: 2.330323254717458
Energy: 2.2801379683158896
Energy: 2.3298720122827397
Energy: 2.310046055950462
Energy: 2.36718249572815
Energy: 2.2354384505415754
Energy: 2.435741119077561
Energy: 2.297354514212666
Energy: 2.337906835979834
Energy: 2.3920167403967145
Energy: 2.36718249572815
Energy: 2.2354384505415754
Energy: 2.435741119077561
Energy: 2.297354514212666
Energy: 2.3151317043329747
Energy: 2.269217412287427
Energy: 2.324808392969227
Energy: 2.223507186227134
Energy: 2.2798689851363694
Energy: 2.2931896296393792
Energy: 2.3151317043329747
Energy: 2.269217412287427
Energy: 2.3248083929646244
Energy: 2.223507186227134
Energy: 2.3023962651168115
Energy: 2.233186222290757
Energy: 2.315972295564579
Energy: 2.2234959664696645
Energy: 2.2565088772566138
Energy: 2.3057311935263796
Energy: 2.3023962651168115
Energy: 2.233186222290757
Energy: 2.315972295564579
Energy: 2.2234959664696645
Energy: 2.22525832885293
Energy: 2.232302886542345
Energy: 2.320418876682358
Energy: 2.2937790891886825
Energy: 2.30773899027472
Energy: 2.2167184579938777
Energy: 2.22525832885293
Energy: 2.232302886542345
Energy: 2.320418876682358
Energy: 2.2937790891886825
Energy: 2.2935558178312108
Energy: 2.3181420333660507
Energy: 2.2321607293348875
Energy: 2.2247382368553246
Energy: 2.2159715056424942
Energy: 2.307854936646188
Energy: 2.2935558178312108
Energy: 2.3181420333660507
Energy: 2.232160729330306
Energy: 2.2247382368553246
Energy: 2.224367231992291
Energy: 2.315615495189349
Energy: 2.232034781746503
Energy: 2.3035137087583193
Energy: 2.305341167955146
Energy: 2.259146529450951
Energy: 2.224367231992291
Energy: 2.315615495189349
Energy: 2.232034781746503
Energy: 2.3035137087583193
Energy: 2.2238165891029382
Energy: 2.3251431737086143
Energy: 2.269263348714113
Energy: 2.2854455417337443
Energy: 2.3333747128848863
Energy: 2.3160847885733564
Energy: 2.2238165891029382
Energy: 2.325143173704012
Energy: 2.269263348714113
Energy: 2.2854455417337443
Energy: 2.3317980566168917
Energy: 2.325797704094711
Energy: 2.234865292080847
Energy: 2.351160005609907
Energy: 2.3920884069655193
Energy: 2.366554114154435
Energy: 2.3317980566168917
Energy: 2.325797704094711
Energy: 2.234865292080847
Energy: 2.3511600056145094
Energy: 2.3441806062815846
Energy: 2.4234464365829105
Energy: 2.2801331897395394
Energy: 2.3134636039774463
Energy: 2.557827270124803
Energy: 2.335386448695221
Energy: 2.3441806062815846
Energy: 2.423446436546111
Energy: 2.2801331897395394
Energy: 2.3134636039774463
Energy: 2.2243309723880085
Energy: 2.3203763010635043
Energy: 2.280015867433265
Energy: 2.310412141273026
Energy: 2.3406013513882824
Energy: 2.320269768843382
Energy: 2.2243309723880085
Energy: 2.3203763010635043
Energy: 2.2800158674378674
Energy: 2.310412141273026
Energy: 2.223640625851477
Energy: 2.3287848330126235
Energy: 2.2588986500653676
Energy: 2.263224195138316
Energy: 2.4145736019721573
Energy: 2.3075905314946916
Energy: 2.2236406258560586
Energy: 2.3287848330126235
Energy: 2.2588986500653676
Energy: 2.2632241951429184
Energy: 2.2252009823436625
Energy: 2.2868126994980984
Energy: 2.1976139435402584
Energy: 2.1933027450874336
Energy: 2.389159850378658
Energy: 2.307561890257269
Energy: 2.2252009823436625
Energy: 2.286812699502701
Energy: 2.197613943535656
Energy: 2.1933027450874336
Energy: 2.293636105187393
Energy: 2.2870705185922935
Energy: 2.2866787798193533
Energy: 2.305015536015722
Energy: 2.238583496035153
Energy: 2.2330242628197103
Energy: 2.293636105187393
Energy: 2.2870705185922935
Energy: 2.2866787798193533
Energy: 2.305015536015722
Energy: 2.326061228501625
Energy: 2.258687290444468
Energy: 2.2370334040091744
Energy: 2.189228029593927
Energy: 2.313377730377087
Energy: 2.23216721879428
Energy: 2.326061228501625
Energy: 2.258687290444468
Energy: 2.2370334040091744
Energy: 2.189228029593927
Energy: 2.3414456129227337
Energy: 2.1972806931994127
Energy: 2.3168368442215095
Energy: 2.295833985742735
Energy: 2.3109598111680514
Energy: 2.2351450570777587
Energy: 2.3414456129227337
Energy: 2.1972806931994127
Energy: 2.3168368442215095
Energy: 2.295833985742735
Energy: 2.324917812937603
Energy: 2.2801915859120547
Energy: 2.3133955822189356
Energy: 2.3068674064774504
Energy: 2.3176351288734565
Energy: 2.2689215474136275
Energy: 2.3249178129237955
Energy: 2.2801915859120547
Energy: 2.3133955822189356
Energy: 2.306867406468245
Energy: 2.449728072173662
Energy: 2.2797684389747936
Energy: 2.3678510500754566
Energy: 2.4105950414491915
Energy: 2.3672442550138357
Energy: 2.2809138667188646
Energy: 2.4497280721465278
Energy: 2.279768438970212
Energy: 2.367851050080059
Energy: 2.4105950414491915
Energy: 2.4196959922613916
Energy: 2.268769692703798
Energy: 2.285055783988586
Energy: 2.3999722706437088
Energy: 2.325458846532768
Energy: 2.280183882540757
Energy: 2.4196959928686628
Energy: 2.268769692703798
Energy: 2.285055783988586
Energy: 2.3999722706437088
Energy: 2.3414456129227337
Energy: 2.2349003136704493
Energy: 2.2772527847072856
Energy: 2.2958738629174227
Energy: 2.3158604923994863
Energy: 2.19803612468241
Energy: 2.3414456129227337
Energy: 2.2349003136704493
Energy: 2.2772527847072856
Energy: 2.2958738629174227
Energy: 2.3215801060986516
Energy: 2.232262867233432
Energy: 2.313667448745138
Energy: 2.189233198707036
Energy: 2.2887160846648644
Energy: 2.2587361887930673
Energy: 2.3215801060986516
Energy: 2.232262867233432
Energy: 2.313667448745138
Energy: 2.189233198707036

minimum gb energy = 2.189228029593927 eV
minimum distance =  2.33668840305072 Angstroms
sigma value = 75


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

Energy: 2.931179138277105
Energy: 2.3455884177439335
Energy: 2.350191069750041
Energy: 2.4734664585922914
Energy: 2.3504669355192624
Energy: 2.3453555520462825
Energy: 2.931179138279351
Energy: 2.3455884177439335
Energy: 2.3501910697522868
Energy: 2.468507048956341
Energy: 2.4546806148910054
Energy: 2.365644202475337
Energy: 2.395064234345425
Energy: 2.549137559772909
Energy: 2.481958041992349
Energy: 2.5166271322558367
Energy: 2.4546806148910054
Energy: 2.365644202475337
Energy: 2.395064234345425
Energy: 2.583190687974098
Energy: 2.339910072509921
Energy: 2.3555285090279687
Energy: 2.352407570691002
Energy: 2.4707077656714107
Energy: 2.346894526477927
Energy: 2.3549726927697
Energy: 2.339910072509921
Energy: 2.3555285090279687
Energy: 2.352407570691002
Energy: 2.4707077656714107
Energy: 2.432240811493001
Energy: 2.4556170021714285
Energy: 2.351903969077224
Energy: 2.4696428908123784
Energy: 2.4696132125555654
Energy: 2.351913377375089
Energy: 2.432240811495022
Energy: 2.4556170021691828
Energy: 2.351903969077224
Energy: 2.4696428908123784
Energy: 2.355173810740005
Energy: 2.3402707214708265
Energy: 2.436104993329255
Energy: 2.3462264697465742
Energy: 2.353931005875062
Energy: 2.5558033265235327
Energy: 2.355173810740005
Energy: 2.3402707214708265
Energy: 2.436104993329255
Energy: 2.3462264697465742
Energy: 2.5129507196915943
Energy: 2.372888238405388
Energy: 2.49262528240891
Energy: 2.4774519513403312
Energy: 2.513600970412165
Energy: 2.521747689047483
Energy: 2.5129507196915943
Energy: 2.3728882384772136
Energy: 2.49262528240891
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Energy: 2.3269374149779645
Energy: 2.872646782857123
Energy: 2.868846589280779
Energy: 2.393487697427266
Energy: 2.355591161160706
Energy: 2.3546401410948357
Energy: 2.3269374149779645
Energy: 2.872646782859348
Energy: 2.868846589280779
Energy: 2.393487697427266
Energy: 2.5120823052376156
Energy: 2.413876040554821
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Energy: 2.5580277724817604
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Energy: 2.5120823052376156
Energy: 2.4138760405570667
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Energy: 2.393373996571758
Energy: 2.356094426977716
Energy: 2.3401432479531534
Energy: 2.354892013836952
Energy: 2.3514606281613952
Energy: 2.4697331977461534
Energy: 2.3466302532608334
Energy: 2.3560944269797375
Energy: 2.3401432479509077
Energy: 2.354892013836952
Energy: 2.3514606281613952
Energy: 2.352142195972419
Energy: 2.432386911841323
Energy: 2.4581912449033076
Energy: 2.351718747969355
Energy: 2.4233116441081446
Energy: 2.469889837072287
Energy: 2.352142195972419
Energy: 2.432386911841323
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Energy: 2.35171874797158
Energy: 2.349102121866327
Energy: 2.447945955334134
Energy: 2.340508188684436
Energy: 2.4329900899051964
Energy: 2.4823869200894513
Energy: 2.5148552023196293
Energy: 2.3491021218685733
Energy: 2.447945955334134
Energy: 2.34050818868219
Energy: 2.4872543268962484
Energy: 2.5164134200709904
Energy: 2.643774408893679
Energy: 2.5996999413063726
Energy: 2.482593191192201
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Energy: 2.5164134200709904
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Energy: 2.5996999413063726
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Energy: 2.756682942399704
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Energy: 2.3735502901762042
Energy: 2.6368000217332836
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Energy: 2.756682942399704
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Energy: 2.5129672472605895
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Energy: 2.4464155130027017
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Energy: 2.5129672472605895
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Energy: 2.5492088965163417
Energy: 2.340387259838467
Energy: 2.3527028359566353
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Energy: 2.5492088965163417
Energy: 2.340387259838467
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Energy: 2.368838547958844
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Energy: 2.3407107787211046
Energy: 2.511731278281755
Energy: 2.4921432346057455
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Energy: 2.368838547958844
Energy: 2.5527232588916173
Energy: 2.3407107787211046
Energy: 2.517978669264562
Energy: 2.395888244615038
Energy: 2.673801869416796
Energy: 2.508214066015709
Energy: 2.3272306821835103
Energy: 2.4432549969771302
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Energy: 2.395888244615038
Energy: 2.673801869416796
Energy: 2.5082140660179544
Energy: 2.5130710286782456
Energy: 2.471688771427889
Energy: 2.3272461108793623
Energy: 2.507492125110439
Energy: 2.7090060054310587
Energy: 2.521463286695109
Energy: 2.5130710286782456
Energy: 2.471688771425643
Energy: 2.3272461108793623
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Energy: 2.5162648882336613
Energy: 2.492091818310478
Energy: 2.5118310223598352
Energy: 2.3406746120326334
Energy: 2.5527232588916173
Energy: 2.3534574320800634
Energy: 2.5162648882336613
Energy: 2.492091818310478
Energy: 2.5118310223598352
Energy: 2.3406746120326334
Energy: 2.4695532689259005
Energy: 2.4248787740975826
Energy: 2.3521032622598748
Energy: 2.3405854437300153
Energy: 2.5492088965163417
Energy: 2.3520353368079836
Energy: 2.4695532689259005
Energy: 2.4248787740975826
Energy: 2.352103262257629
Energy: 2.3405854437277696
Energy: 2.374477396734631
Energy: 2.469401658196761
Energy: 2.3522523161989084
Energy: 2.4468227705117065
Energy: 2.340408978393939
Energy: 2.367401476202461
Energy: 2.374477396734631
Energy: 2.469401658196761
Energy: 2.352252316196438
Energy: 2.446822770509236
Energy: 2.4876782140894638
Energy: 2.661253119007756
Energy: 2.3499535209162152
Energy: 2.504458715070632
Energy: 2.356184793184094
Energy: 2.5127264512553693
Energy: 2.4876782140894638
Energy: 2.661253119007756
Energy: 2.3499535209162152
Energy: 2.5140674087105386
Energy: 2.6272994153234808
Energy: 2.3688337752412996
Energy: 2.3955588208228065
Energy: 2.589915185290231
Energy: 2.50694095220775
Energy: 2.327018446638537
Energy: 2.6272994153234808
Energy: 2.3688337752412996
Energy: 2.3955588208228065
Energy: 2.6751448737517216
Energy: 2.516356144907838
Energy: 2.514696168628337
Energy: 2.4775255005620425
Energy: 2.4782193839894697
Energy: 2.5784307632875962
Energy: 2.709186933924502
Energy: 2.5163561449055925
Energy: 2.514696168628337
Energy: 2.4775255005620425
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minimum gb energy = 2.3269374149779645 eV
minimum distance =  2.29966514243621 Angstroms
sigma value = 105


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

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Energy: 2.5608842850347915
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Energy: 2.449874299019834
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Energy: 2.354318831643305
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Energy: 2.3173415322941424
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Energy: 2.421726486654804
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Energy: 2.748881577315129
Energy: 2.4063868820354744
Energy: 2.5273357330066144
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Energy: 2.4005047702269557
Energy: 2.401172736610915
Energy: 2.748881577315129
Energy: 2.4063868820329404
Energy: 2.827629926982989
Energy: 2.4824625837403125
Energy: 2.3559995922179047
Energy: 2.359392183008206
Energy: 2.4800256721973057
Energy: 2.3750785629556863
Energy: 2.827629926982989
Energy: 2.4824625837403125
Energy: 2.3559995922179047
Energy: 2.359392183008206
Energy: 2.3532708138189062
Energy: 2.482076874705222
Energy: 2.802741909181642
Energy: 2.480661900482476
Energy: 2.637995341726048
Energy: 2.5109541193035163
Energy: 2.3532708138189062
Energy: 2.482076874705222
Energy: 2.802741909181642
Energy: 2.4806619004850097
Energy: 2.6587457246313475
Energy: 2.3715921023885653
Energy: 2.479197914219599
Energy: 2.3788771373460857
Energy: 2.6681666941417044
Energy: 2.4458650967204063
Energy: 2.6587457246313475
Energy: 2.3715921023885653
Energy: 2.479197914219599
Energy: 2.3788771373460857
Energy: 2.323308564500421
Energy: 2.356724565294626
Energy: 2.478607963218467
Energy: 2.406335496466055
Energy: 2.749263229680303
Energy: 2.403592646871942
Energy: 2.323308564500421
Energy: 2.356724565294626
Energy: 2.4786079632210005
Energy: 2.406335496466055
Energy: 2.4003088982416125
Energy: 2.524353668182384
Energy: 2.3540814870498337
Energy: 2.3580979565146634
Energy: 2.401720455847003
Energy: 2.400282811373422
Energy: 2.4003088982416125
Energy: 2.524353668182384
Energy: 2.3540814870498337
Energy: 2.3580979565146634
Energy: 2.4055459443688263
Energy: 2.5262282227483928
Energy: 2.352945800718241
Energy: 2.4785270083708313
Energy: 2.3818395305461473
Energy: 2.4796018588080764
Energy: 2.4055459443688263
Energy: 2.5262282227483928
Energy: 2.352945800718241
Energy: 2.4785270083708313

minimum gb energy = 2.3173415322941424 eV
minimum distance =  2.31605126182116 Angstroms
sigma value = 165


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

Energy: 2.438624379669504
Energy: 2.5881371118648504
Energy: 2.2886403613668205
Energy: 2.304199242349831
Energy: 2.2886514047213975
Energy: 2.5879807416137837
Energy: 2.438624379669504
Energy: 2.5881371118648504
Energy: 2.2886403613668205
Energy: 2.4155662463733534
Energy: 2.544200197982658
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Energy: 2.3625561489621902
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Energy: 2.370991477585424
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Energy: 2.370991477585424
Energy: 2.625512156908542
Energy: 2.4842046986105353
Energy: 2.5969764163431046
Energy: 2.3800741646263526
Energy: 2.625556483894055
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Energy: 2.3049966795367856
Energy: 2.4842046986096653
Energy: 2.5969764163431046
Energy: 2.380074164625483
Energy: 2.625556483894055
Energy: 2.3005532633904524
Energy: 2.652507251585492
Energy: 2.5265489637732497
Energy: 2.3002205851293938
Energy: 2.2936351869448397
Energy: 2.300187335917209
Energy: 2.3005532633904524
Energy: 2.652507251585492
Energy: 2.5265489637732497
Energy: 2.3002205851302637
Energy: 2.301252526417795
Energy: 2.3885154995747047
Energy: 2.6448755832860043
Energy: 2.300156767430399
Energy: 2.390050178457434
Energy: 2.3037423930590437
Energy: 2.301252526416925
Energy: 2.3885154995738342
Energy: 2.6448755832860043
Energy: 2.300156767430399
Energy: 2.5976152669302017
Energy: 2.2902139979872795
Energy: 2.6065025607960743
Energy: 2.544536551263797
Energy: 2.300213218755409
Energy: 2.2934257790635613
Energy: 2.5976152669302017
Energy: 2.2902139979872795
Energy: 2.6065025607969443
Energy: 2.544536551263797
Energy: 2.5061548749640874
Energy: 2.2886514047213975
Energy: 2.5879807416137837
Energy: 2.438624379669504
Energy: 2.5881371118648504
Energy: 2.2886403613668205
Energy: 2.506154874839764
Energy: 2.2886514047213975
Energy: 2.5879807416137837
Energy: 2.438624379669504

minimum gb energy = 2.2886403613668205 eV
minimum distance =  2.31828016615986 Angstroms
sigma value = 41


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

Energy: 2.7264610525588924
Energy: 2.6387906859082357
Energy: 2.173468622566939
Energy: 2.3136678086097726
Energy: 2.173311307051695
Energy: 2.534610551666282
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Energy: 2.6387906859082357
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Energy: 2.6423867354332637
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Energy: 2.39877446276447
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Energy: 2.3845570743163584
Energy: 2.34481964472783
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Energy: 2.477408185770677
Energy: 2.181643556064713
Energy: 2.181427509703344
Energy: 2.4740735146648882
Energy: 2.34481964472783
Energy: 2.356817433851384
Energy: 2.477408185770677
Energy: 2.181643556068088
Energy: 2.6459148603941767
Energy: 2.3854610391483537
Energy: 2.4203106259510774
Energy: 2.1840399860544406
Energy: 2.3964636530370362
Energy: 2.1769218547210145
Energy: 2.6459148603941767
Energy: 2.3854610391483537
Energy: 2.4203106259510774
Energy: 2.1840399860510664
Energy: 2.340967440402888
Energy: 2.6552490403585853
Energy: 2.6369339276051176
Energy: 2.1734388983874617
Energy: 2.404295160065932
Energy: 2.172983501181594
Energy: 2.3409674404062626
Energy: 2.6552490403585853
Energy: 2.636933927601743
Energy: 2.1734388983874617
Energy: 2.18098617930989
Energy: 2.5966746414590647
Energy: 2.6084113806254616
Energy: 2.1752529783863452
Energy: 2.3810096589484964
Energy: 2.1813312428704656
Energy: 2.18098617930989
Energy: 2.5966746414590647
Energy: 2.6084113806254616
Energy: 2.1752529783863452
Energy: 2.4775106183850504
Energy: 2.3511258215515323
Energy: 2.352524720597508
Energy: 2.479794102050615
Energy: 2.181194992991148
Energy: 2.1813653215190425
Energy: 2.4775106183850504
Energy: 2.3511258215515323
Energy: 2.352524720597508
Energy: 2.479794102050615
Energy: 2.1750813142198013
Energy: 2.641709573332199
Energy: 2.3912903957234857
Energy: 2.1818210971914547
Energy: 2.181732310952057
Energy: 2.4104639485692
Energy: 2.1750813142164267
Energy: 2.641709573328824
Energy: 2.3912903957234857
Energy: 2.1818210971880805
Energy: 2.1736313849580107
Energy: 2.3424499294342573
Energy: 2.655265191636427
Energy: 2.588403171262518
Energy: 2.17352399384973
Energy: 2.34522970505629
Energy: 2.1736313849580107
Energy: 2.3424499294342573
Energy: 2.655265191636427
Energy: 2.588403171262518
Energy: 2.184373204706483
Energy: 2.482487972454542
Energy: 2.3857300531663266
Energy: 2.602046520657415
Energy: 2.1767495757384623
Energy: 2.3965765803928187
Energy: 2.184373204706483
Energy: 2.482487972454542
Energy: 2.3857300531663266
Energy: 2.602046520657415
Energy: 2.1819568103364118
Energy: 2.4792108370170522
Energy: 2.3530035753122296
Energy: 2.3461563775192653
Energy: 2.4796670151536557
Energy: 2.1807483023716188
Energy: 2.1819568103364118
Energy: 2.4792108370170522
Energy: 2.3530035753122296
Energy: 2.3461563775192653
Energy: 2.413273262434517
Energy: 2.1736473614925527
Energy: 2.635148820037898
Energy: 2.2732920197289013
Energy: 2.1831289161489478
Energy: 2.249201822567893
Energy: 2.413273262434517
Energy: 2.1736473614891776
Energy: 2.635148820037898
Energy: 2.2732920197289013
Energy: 2.402205597493947
Energy: 2.174476583852897
Energy: 2.5581528880258557
Energy: 2.3418088196274693
Energy: 2.3434872874575334
Energy: 2.398915714737509
Energy: 2.402205597493947
Energy: 2.174476583852897
Energy: 2.5581528880258557
Energy: 2.3418088196308435
Energy: 2.3917238702652366
Energy: 2.1822119190684233
Energy: 2.423594006483263
Energy: 2.3424182729248053
Energy: 2.411757453889157
Energy: 2.237728546943143
Energy: 2.3917238702652366
Energy: 2.1822119190684233
Energy: 2.4235940064798887
Energy: 2.3424182729248053

minimum gb energy = 2.1385102311428494 eV
minimum distance =  2.44105546844331 Angstroms
sigma value = 185


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

Energy: 2.487805205988356
Energy: 2.1810337526066967
Energy: 2.179965411156016
Energy: 2.6773130358268897
Energy: 2.1799538293651146
Energy: 2.616284340605475
Energy: 2.487805205988356
Energy: 2.1810337526066967
Energy: 2.179965411156016
Energy: 2.7074079570771192
Energy: 2.654226815773454
Energy: 2.183784157340657
Energy: 2.171076949060372
Energy: 2.181692706298441
Energy: 2.1801550846744826
Energy: 2.3551446707565495
Energy: 2.654226815773454
Energy: 2.183784157340657
Energy: 2.171076949060372
Energy: 2.181692706298441
Energy: 2.6588184951182705
Energy: 2.1801175886635664
Energy: 2.6457884466211254
Energy: 2.8136567664574255
Energy: 2.181444046380126
Energy: 2.1817504099859244
Energy: 2.6588184951182705
Energy: 2.1801175886635664
Energy: 2.6457884466211254
Energy: 2.8136567664574255
Energy: 2.883332504961612
Energy: 2.1810402769665633
Energy: 2.1805954165110624
Energy: 2.1707688009069104
Energy: 2.6350757070006265
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Energy: 2.883332504961612
Energy: 2.1810402769665633
Energy: 2.1805954165110624
Energy: 2.1707688009069104
Energy: 2.6339208430719765
Energy: 2.1709763821644947
Energy: 2.181536648916009
Energy: 2.4309497951660584
Energy: 2.229116461321179
Energy: 2.1742306494825585
Energy: 2.6339208430719765
Energy: 2.1709763821644947
Energy: 2.181536648916009
Energy: 2.4309497951660584
Energy: 2.2036190556628994
Energy: 2.1798488619589915
Energy: 2.3209250980911613
Energy: 2.1804326045551914
Energy: 2.1818517865775378
Energy: 2.229356788130122
Energy: 2.2036190556628994
Energy: 2.1798488619589915
Energy: 2.425395525449646
Energy: 2.1804326045551914
Energy: 2.180437184016353
Energy: 2.2485906267037463
Energy: 2.1797953294050645
Energy: 2.373003496552394
Energy: 2.2290958755893255
Energy: 2.1818854472731233
Energy: 2.180437184016353
Energy: 2.2485906267037463
Energy: 2.1797953294050645
Energy: 2.2882364040753367
Energy: 2.4305244602154175
Energy: 2.1815163490771265
Energy: 2.1709954197248353
Energy: 2.634048287018987
Energy: 2.173865767928665
Energy: 2.2291882471868516
Energy: 2.4305244602154175
Energy: 2.1815163490771265
Energy: 2.1709954197248353
Energy: 2.634048287018987
Energy: 2.170758682152728
Energy: 2.180592720723342
Energy: 2.181040719446584
Energy: 2.8833339648269227
Energy: 2.170935432349225
Energy: 2.635103364992833
Energy: 2.170758682152728
Energy: 2.180592720723342
Energy: 2.181040719446584
Energy: 2.8833339648269227
Energy: 2.813596987552185
Energy: 2.6457884466211254
Energy: 2.1801161362622192
Energy: 2.6588321279971594
Energy: 2.181787427061928
Energy: 2.181575378939323
Energy: 2.813596987552185
Energy: 2.6457884466211254
Energy: 2.1801161362622192
Energy: 2.6588321279971594
Energy: 2.181670658502921
Energy: 2.171093059826551
Energy: 2.1836297798062194
Energy: 2.654303941579513
Energy: 2.3551446707565495
Energy: 2.1801481486274463
Energy: 2.181670658502921
Energy: 2.171093059826551
Energy: 2.1836297798062194
Energy: 2.654303941579513
Energy: 2.607615565183595
Energy: 2.1799538293651146
Energy: 2.616284340605475
Energy: 2.487805205988356
Energy: 2.1810337526066967
Energy: 2.179965411156016
Energy: 2.607615565183595
Energy: 2.1799538293651146
Energy: 2.523998469272515
Energy: 2.487805205988356
Energy: 2.181692706298441
Energy: 2.1801550846744826
Energy: 2.3551446707565495
Energy: 2.654226815773454
Energy: 2.183784157340657
Energy: 2.171076949060372
Energy: 2.181692706298441
Energy: 2.1801550846744826
Energy: 2.3551446707565495
Energy: 2.654226815773454
Energy: 2.8136567664574255
Energy: 2.181444046380126
Energy: 2.1817504099859244
Energy: 2.6588184951182705
Energy: 2.1801175886635664
Energy: 2.6457884466211254
Energy: 2.8136567664574255
Energy: 2.181444046380126
Energy: 2.1817504099859244
Energy: 2.6588184951182705
Energy: 2.1707688009069104
Energy: 2.6350757070046327
Energy: 2.170725450434734
Energy: 2.883332504961612
Energy: 2.1810402769665633
Energy: 2.1805954165110624
Energy: 2.1707688009069104
Energy: 2.6350757070006265
Energy: 2.170725450434734
Energy: 2.883332504961612
Energy: 2.4309497951660584
Energy: 2.229116461321179
Energy: 2.1742306494825585
Energy: 2.6339208430719765
Energy: 2.1709763821644947
Energy: 2.181536648916009
Energy: 2.4309497951660584
Energy: 2.229116461321179
Energy: 2.1742306494825585
Energy: 2.6339208430719765
Energy: 2.1804326045551914
Energy: 2.1818517865775378
Energy: 2.2293567881341283
Energy: 2.2036190556628994
Energy: 2.1798488619589915
Energy: 2.343417601087442
Energy: 2.1804326045551914
Energy: 2.1818517865775378
Energy: 2.229356788130122
Energy: 2.2036190556628994
Energy: 2.5869191638992146
Energy: 2.2290958755893255
Energy: 2.1818854472731233
Energy: 2.180437184016353
Energy: 2.2485906267037463
Energy: 2.1797953294050645
Energy: 2.5869191638992146
Energy: 2.2290958755893255
Energy: 2.1818854472731233
Energy: 2.180437184016353
Energy: 2.634048287018987
Energy: 2.173865767928665
Energy: 2.2291882471868516
Energy: 2.4305244602154175
Energy: 2.1815163490771265
Energy: 2.1709954197248353
Energy: 2.634048287018987
Energy: 2.173865767928665
Energy: 2.2291882471868516
Energy: 2.4305244602154175
Energy: 2.8833339648269227
Energy: 2.170935432349225
Energy: 2.635103364992833
Energy: 2.170758682152728
Energy: 2.180592720723342
Energy: 2.181040719446584
Energy: 2.8833339648269227
Energy: 2.170935432349225
Energy: 2.635103364992833
Energy: 2.170758682152728
Energy: 2.6588321279971594
Energy: 2.181787427061928
Energy: 2.181575378939323
Energy: 2.813596987552185
Energy: 2.6457884466211254
Energy: 2.1801161362622192
Energy: 2.6588321279971594
Energy: 2.181787427061928
Energy: 2.181575378939323
Energy: 2.813596987552185
Energy: 2.654303941579513
Energy: 2.3551446707565495
Energy: 2.1801481486274463
Energy: 2.181670658502921
Energy: 2.171093059826551
Energy: 2.1836297798062194
Energy: 2.654303941579513
Energy: 2.3551446707565495
Energy: 2.1801481486274463
Energy: 2.181670658502921
Energy: 2.487805205988356
Energy: 2.1810337526066967
Energy: 2.179965411156016
Energy: 2.607615565183595
Energy: 2.1799538293651146
Energy: 2.5129758679220218
Energy: 2.487805205988356
Energy: 2.1810337526066967
Energy: 2.179965411156016
Energy: 2.707407957073113
Energy: 2.654226815773454
Energy: 2.183784157340657
Energy: 2.171076949060372
Energy: 2.181692706298441
Energy: 2.1801550846744826
Energy: 2.3551446707565495
Energy: 2.654226815773454
Energy: 2.183784157340657
Energy: 2.171076949060372
Energy: 2.181692706298441
Energy: 2.6588184951182705
Energy: 2.1801175886635664
Energy: 2.6457884466211254
Energy: 2.8136567664574255
Energy: 2.181444046380126
Energy: 2.1817504099859244
Energy: 2.6588184951182705
Energy: 2.1801175886635664
Energy: 2.6457884466211254
Energy: 2.8136567664574255
Energy: 2.883332504961612
Energy: 2.1810402769665633
Energy: 2.1805954165110624
Energy: 2.1707688009069104
Energy: 2.6350757070006265
Energy: 2.170725450434734
Energy: 2.883332504961612
Energy: 2.1810402769665633
Energy: 2.1805954165110624
Energy: 2.1707688009069104
Energy: 2.6339208430719765
Energy: 2.1709763821644947
Energy: 2.181536648916009
Energy: 2.4309497951660584
Energy: 2.229116461321179
Energy: 2.1742306494825585
Energy: 2.6339208430719765
Energy: 2.1709763821644947
Energy: 2.181536648916009
Energy: 2.4309497951660584
Energy: 2.2542086141434083
Energy: 2.1798488619589915
Energy: 2.4580877651962556
Energy: 2.1804326045551914
Energy: 2.1818517865775378
Energy: 2.229356788130122
Energy: 2.2036190556628994
Energy: 2.1798488619589915
Energy: 2.3879350992140855
Energy: 2.1804326045551914
Energy: 2.180437184016353
Energy: 2.2485906267037463
Energy: 2.1797953294050645
Energy: 2.5869191638992146
Energy: 2.2290958755893255
Energy: 2.1818854472731233
Energy: 2.180437184016353
Energy: 2.2485906267037463
Energy: 2.1797953294050645
Energy: 2.343724922482271
Energy: 2.4305244602154175
Energy: 2.1815163490771265
Energy: 2.1709954197248353
Energy: 2.634048287018987
Energy: 2.173865767928665
Energy: 2.2291882471868516
Energy: 2.4305244602154175
Energy: 2.1815163490771265
Energy: 2.1709954197248353
Energy: 2.634048287018987
Energy: 2.170758682152728
Energy: 2.180592720723342
Energy: 2.181040719446584
Energy: 2.8833339648269227
Energy: 2.170935432349225
Energy: 2.635103364992833
Energy: 2.170758682152728
Energy: 2.180592720723342
Energy: 2.181040719446584
Energy: 2.8833339648269227
Energy: 2.813596987552185
Energy: 2.6457884466211254
Energy: 2.1801161362622192
Energy: 2.6588321279971594
Energy: 2.181787427061928
Energy: 2.181575378939323
Energy: 2.813596987552185
Energy: 2.6457884466211254
Energy: 2.1801161362622192
Energy: 2.6588321279971594
Energy: 2.181670658502921
Energy: 2.171093059826551
Energy: 2.1836297798062194
Energy: 2.654303941579513
Energy: 2.3551446707565495
Energy: 2.1801481486274463
Energy: 2.181670658502921
Energy: 2.171093059826551
Energy: 2.1836297798062194
Energy: 2.654303941579513

minimum gb energy = 2.170725450434734 eV
minimum distance =  2.38020300121404 Angstroms
sigma value = 33


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

Energy: 2.5828647082150877
Energy: 2.294785632019502
Energy: 2.29323637014704
Energy: 2.909674310631973
Energy: 2.2937300083083887
Energy: 2.5985251071503543
Energy: 2.5828647082150877
Energy: 2.294785632017303
Energy: 2.2932363701448404
Energy: 2.761179194166418
Energy: 2.449693132799154
Energy: 2.505948630981384
Energy: 2.2934185936885565
Energy: 2.4249820988942288
Energy: 2.316772017951321
Energy: 2.3863625330062406
Energy: 2.449693132700229
Energy: 2.5059486309835832
Energy: 2.2934185936885565
Energy: 2.4249820988942288
Energy: 2.3532702904464173
Energy: 2.2912290362771803
Energy: 2.4614802186058515
Energy: 2.872389081025449
Energy: 2.314513249048707
Energy: 2.3965097136226685
Energy: 2.3532702904464173
Energy: 2.2912290362771803
Energy: 2.4614802186058515
Energy: 2.872389081025449
Energy: 2.4707620429953634
Energy: 2.291134468259947
Energy: 2.409320495516578
Energy: 2.3243224048453364
Energy: 2.5238715121838853
Energy: 2.414234701258311
Energy: 2.4707620429953634
Energy: 2.291134468259947
Energy: 2.409320495516578
Energy: 2.3243224048453364
Energy: 2.409150544277442
Energy: 2.291538201435687
Energy: 2.4761998350750725
Energy: 2.88875468586088
Energy: 2.495295325964341
Energy: 2.324063839659565
Energy: 2.409150544279641
Energy: 2.2915382014334877
Energy: 2.4761998350750725
Energy: 2.88875468586088
Energy: 2.7732027569662763
Energy: 2.2909515802216185
Energy: 2.385889353029353
Energy: 2.397408539430649
Energy: 2.314751453596325
Energy: 2.925186892542857
Energy: 2.7732027569662763
Energy: 2.2909515802216185
Energy: 2.385889353029353
Energy: 2.397408539430649
Energy: 2.2937092846125156
Energy: 2.5460502345840097
Energy: 2.416157084153886
Energy: 2.395769146691292
Energy: 2.316119054885594
Energy: 2.426077812015384
Energy: 2.2937092846103164
Energy: 2.546050234581811
Energy: 2.416157084153886
Energy: 2.395769146693491
Energy: 2.294096947671591
Energy: 2.2796296433165124
Energy: 2.547800294053304
Energy: 2.6142822224541358
Energy: 2.2937241115105422
Energy: 2.423238625892806
Energy: 2.294096947671591
Energy: 2.2796296433165124
Energy: 2.5478002940511053
Energy: 2.6142822224541358
Energy: 2.3172718068216462
Energy: 2.3940275012487886
Energy: 2.756338160655228
Energy: 2.506357190805299
Energy: 2.2936664850995556
Energy: 2.424902841462895
Energy: 2.3172718068216462
Energy: 2.3940275012487886
Energy: 2.756338160655228
Energy: 2.506357190805299
Energy: 2.314509475883205
Energy: 2.396782671995393
Energy: 2.353440536204619
Energy: 2.291553642469044
Energy: 2.4858040658597957
Energy: 2.872342636987496
Energy: 2.314509475883205
Energy: 2.396782671995393
Energy: 2.353440536204619
Energy: 2.291553642469044
Energy: 2.459004074382483
Energy: 2.324530064660285
Energy: 2.7920028921705646
Energy: 2.2911300001059747
Energy: 2.4094090476753265
Energy: 2.3242308866897132
Energy: 2.459004074384682
Energy: 2.324530064660285
Energy: 2.7920028921727633
Energy: 2.2911300001059747
Energy: 2.4950043158945463
Energy: 2.3239731149951752
Energy: 2.412067076099729
Energy: 2.291888480630742
Energy: 2.4774143398566384
Energy: 2.8883758407020346
Energy: 2.495004315892347
Energy: 2.3239731149973744
Energy: 2.4120670761019287
Energy: 2.291888480628542
Energy: 2.3147324972104713
Energy: 2.35133162871851
Energy: 2.8476272212857157
Energy: 2.290784361887668
Energy: 2.4169671730840876
Energy: 2.396451282146737
Energy: 2.3147324972104713
Energy: 2.351331628714112
Energy: 2.847627221287915
Energy: 2.290784361887668
Energy: 2.3157176368982872
Energy: 2.427125842283002
Energy: 2.2939018870052843
Energy: 2.5534506807632593
Energy: 2.4163512636458804
Energy: 2.3974295695492187
Energy: 2.3157176368982872
Energy: 2.427125842283002
Energy: 2.2939018870052843
Energy: 2.5534506807632593
Energy: 2.2931385679377065
Energy: 2.424203892600352
Energy: 2.2961958041594865
Energy: 2.2801758778932704
Energy: 2.3860735938870046
Energy: 2.6137927304124444
Energy: 2.2931385679377065
Energy: 2.424203892600352
Energy: 2.2961958041594865
Energy: 2.2801758778932704
Energy: 2.2937894650658697
Energy: 2.425798353680851
Energy: 2.3179101944472618
Energy: 2.3948963308114144
Energy: 2.331103444915593
Energy: 2.5058620839724934
Energy: 2.2937894650658697
Energy: 2.4257983536786516
Energy: 2.3179101944472618
Energy: 2.394896330809215
Energy: 2.3192140342415803
Energy: 2.8731327237621715
Energy: 2.3144796224657482
Energy: 2.3968116824108283
Energy: 2.38872972999971
Energy: 2.2921590456239356
Energy: 2.3192140342415803
Energy: 2.873132723759973
Energy: 2.3144796224657482
Energy: 2.3968116824108283
Energy: 2.4093062354611354
Energy: 2.509860335300792
Energy: 2.458860849292872
Energy: 2.324961144805693
Energy: 2.7919262037992283
Energy: 2.2906343102076283
Energy: 2.4093062354589367
Energy: 2.509860335302991
Energy: 2.458860849292872
Energy: 2.3249611448078924
Energy: 2.3182114870044552
Energy: 2.3793441224567244
Energy: 2.4950540436925284
Energy: 2.3244504742782084
Energy: 2.5144415771558806
Energy: 2.2921242233525008
Energy: 2.3182114870044552
Energy: 2.379344178946879
Energy: 2.4950540436947275
Energy: 2.3244504742804075
Energy: 2.499989615345151
Energy: 2.3969416899760745
Energy: 2.3151339579357857
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Energy: 2.364930354846122
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Energy: 2.393696267846087
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Energy: 2.6737008994448703
Energy: 2.4098569200410824
Energy: 2.324135316828468
Energy: 2.459260356227811
Energy: 2.323840284113665

minimum gb energy = 2.2796296433165124 eV
minimum distance =  2.39010907349757 Angstroms
sigma value = 219


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

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Energy: 2.2581287099616603
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Energy: 2.192506679717695
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Energy: 2.4669568582784533
Energy: 2.196690405758218
Energy: 2.283844741946379
Energy: 2.196610434263342
Energy: 2.3291728133015313

minimum gb energy = 2.189597430807801 eV
minimum distance =  2.34214213029002 Angstroms
sigma value = 15


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

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minimum gb energy = 2.34950700008229 eV
minimum distance =  2.36164218283187 Angstroms
sigma value = 293


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

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Energy: 2.6117983495764916
Energy: 2.658340873499112
Energy: 2.4509073226348925
Energy: 2.367616265954828
Energy: 2.6244854001857436
Energy: 2.3928483663882267
Energy: 2.6117983495764916
Energy: 2.658340873499112
Energy: 2.4380277054615043
Energy: 2.3932242293914507
Energy: 2.6812660521958804
Energy: 2.547265273511788
Energy: 2.3770681670324683
Energy: 2.5253537514763176
Energy: 2.438027705494365
Energy: 2.3932242293914507
Energy: 2.6812660521958804
Energy: 2.547265273511788
Energy: 2.41968140642459
Energy: 2.6228501075927286
Energy: 2.4412271478511127
Energy: 2.374751706212902
Energy: 2.4378721952578593
Energy: 2.3762303330106147
Energy: 2.419681406427878
Energy: 2.6228501075927286
Energy: 2.4412271478511127
Energy: 2.374751706212902
Energy: 2.4192961144829215
Energy: 2.419321810615738
Energy: 2.4459419182840634
Energy: 2.506896591391873
Energy: 2.4439368150770155
Energy: 2.558218576195354
Energy: 2.4192961144829215
Energy: 2.419321810615738
Energy: 2.4459419182840634
Energy: 2.506896591391873
Energy: 2.426963593614545
Energy: 2.399943786045671
Energy: 2.5744207441998963
Energy: 2.4653569973308573
Energy: 2.4265572193307725
Energy: 2.595296435326022
Energy: 2.426963593614545
Energy: 2.399943786045671
Energy: 2.5744207441998963
Energy: 2.4653569973308573
Energy: 2.4309505040002426
Energy: 2.50831226225201
Energy: 2.5083055439556223
Energy: 2.430964718294275
Energy: 2.4153215563798582
Energy: 2.415008303261123
Energy: 2.4309505040002426
Energy: 2.50831226225201
Energy: 2.5083055439556223
Energy: 2.430964718294275
Energy: 2.465188052901294
Energy: 2.5744368342925097
Energy: 2.3999840500056715
Energy: 2.4269662325733448
Energy: 2.5952395698753996
Energy: 2.4268520068753303
Energy: 2.465188052901294
Energy: 2.5744368342925097
Energy: 2.3999840500056715
Energy: 2.4269662325733448
Energy: 2.5067298221520296
Energy: 2.4459402855066825
Energy: 2.419685288910882
Energy: 2.4192837308033885
Energy: 2.4193920428357782
Energy: 2.4442075849792624
Energy: 2.506729822165165
Energy: 2.4459402855066825
Energy: 2.419685288910882
Energy: 2.4192837308033885
Energy: 2.3746078556735584
Energy: 2.441572682199743
Energy: 2.6228501075927286
Energy: 2.420020164414526
Energy: 2.3759660111351266
Energy: 2.4378721952578593
Energy: 2.3746078556735584
Energy: 2.441572682199743
Energy: 2.6228501075927286
Energy: 2.420020164414526
Energy: 2.5472630244929833
Energy: 2.680831563897235
Energy: 2.3935065284294836
Energy: 2.438543282205533
Energy: 2.525307088304762
Energy: 2.377886943605221
Energy: 2.547263024496271
Energy: 2.680831563897235
Energy: 2.3935065284294836
Energy: 2.438543282205533

minimum gb energy = 2.367611260988321 eV
minimum distance =  2.2573028223664 Angstroms
sigma value = 293


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

Energy: 2.138660076929698
Energy: 2.0741552610064713
Energy: 2.0740282300711725
Energy: 3.0031720595788585
Energy: 2.0740105596851763
Energy: 2.157871778324151
Energy: 2.138660076929698
Energy: 2.074155260379287
Energy: 2.0740282300711725
Energy: 2.8003576512783677
Energy: 2.0741645895689445
Energy: 2.5905396642543086
Energy: 2.0740291753574174
Energy: 2.1576600562464123
Energy: 2.848594346319646
Energy: 2.0746122733651142
Energy: 2.0741645895689445
Energy: 2.5905396642560916
Energy: 2.0740291753568236
Energy: 2.5044901378510507
Energy: 2.157890613819175
Energy: 2.1387986071956817
Energy: 2.787784268524708
Energy: 2.138428683158321
Energy: 2.1555093451395324
Energy: 2.074325884162005
Energy: 2.1578906139076697
Energy: 2.1387986071956817
Energy: 2.7877842685454914
Energy: 2.1384286831535673
Energy: 2.7878107462448374
Energy: 2.138787823424082
Energy: 2.1578971588979967
Energy: 2.074322813355473
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Energy: 2.1385209785304067
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Energy: 2.074322813355473
Energy: 2.0740412557156067
Energy: 2.59059734889349
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Energy: 2.0746410865940357
Energy: 2.8486707280451196
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Energy: 2.590597348439134
Energy: 2.0741611356387257
Energy: 2.0746410865815714
Energy: 2.0740105596845826
Energy: 2.1578717783383987
Energy: 2.138660076929698
Energy: 2.074155259669537
Energy: 2.0740282300711725
Energy: 3.0031723742224887
Energy: 2.0740105596851763
Energy: 2.3929291065917506
Energy: 2.138660076929698
Energy: 2.0741552601672546
Energy: 2.8485943463190515
Energy: 2.074612273363926
Energy: 2.0741645895683503
Energy: 2.5905396642543086
Energy: 2.0740291753574174
Energy: 2.4847821558687917
Energy: 2.848594346319646
Energy: 2.074612273366897
Energy: 2.0741645895689445
Energy: 2.590539664254903
Energy: 2.155509345342666
Energy: 2.074325884162005
Energy: 2.1578906140442666
Energy: 2.1387986071950875
Energy: 2.7877842685348093
Energy: 2.138428683152973
Energy: 2.1555093452915783
Energy: 2.074325884162005
Energy: 2.1578906136944487
Energy: 2.1387986071956817
Energy: 2.1553035206577533
Energy: 2.1385209785601025
Energy: 2.7878107462418664
Energy: 2.138787823424082
Energy: 2.157897158556485
Energy: 2.074322813355473
Energy: 2.1553035205074904
Energy: 2.138520978554755
Energy: 2.787810746273939
Energy: 2.138787823423488
Energy: 2.8486707280451196
Energy: 2.5913250227805866
Energy: 2.0740412557156067
Energy: 2.590597348638689
Energy: 2.0741611356387257
Energy: 2.07464108658276
Energy: 2.848670728044526
Energy: 2.591327785482639
Energy: 2.0740412557156067
Energy: 2.6673159886557865
Energy: 2.0740282300705792
Energy: 3.0031715615197205
Energy: 2.0740105596851763
Energy: 2.367621023560751
Energy: 2.138660076929698
Energy: 2.0741552601411106
Energy: 2.0740282300711725
Energy: 3.0031740791860733
Energy: 2.0740105596851763
Energy: 2.2082518655896073
Energy: 2.0740291753568236
Energy: 2.3908337080620696
Energy: 2.8485943463190515
Energy: 2.0746122733645196
Energy: 2.0741645895689445
Energy: 2.5905396642537144
Energy: 2.0740291753574174
Energy: 2.570250795101123
Energy: 2.8485943463184573
Energy: 2.0746122733645196
Energy: 2.7877842685359977
Energy: 2.138428683154756
Energy: 2.155509345188837
Energy: 2.074325884162005
Energy: 2.1578906145514916
Energy: 2.1387986071950875
Energy: 2.787784268515795
Energy: 2.1384286831511905
Energy: 2.1555093451425034
Energy: 2.074325884162005
Energy: 2.1578971585737166
Energy: 2.074322813355473
Energy: 2.155303521226734
Energy: 2.1385209785262473
Energy: 2.7878107462377066
Energy: 2.138787823423488
Energy: 2.1578971589514473
Energy: 2.074322813355473
Energy: 2.155303520021062
Energy: 2.138520978540508
Energy: 2.0741611356387257
Energy: 2.074641086580977
Energy: 2.848670728044526
Energy: 2.5913259285770582
Energy: 2.0740412557156067
Energy: 2.5905973486380947
Energy: 2.0741611356387257
Energy: 2.074641086583948
Energy: 2.848670728044526
Energy: 2.5913251667283066
Energy: 2.138660076929698
Energy: 2.0741552607712794
Energy: 2.0740282300717667
Energy: 2.963544237746994
Energy: 2.0740105596845826
Energy: 2.2958664270407385
Energy: 2.138660076929698
Energy: 2.0741552598120756
Energy: 2.0740282300717667
Energy: 3.003173692944843
Energy: 2.0741645895689445
Energy: 2.5905396642543086
Energy: 2.0740291753568236
Energy: 2.570250795101717
Energy: 2.8485943463190515
Energy: 2.074612273366897
Energy: 2.0741645895689445
Energy: 2.5905396642537144
Energy: 2.0740291753574174
Energy: 2.6984070500696706
Energy: 2.1578906139266705
Energy: 2.1387986071950875
Energy: 2.787784268544303
Energy: 2.1384286831494212
Energy: 2.1555093450955893
Energy: 2.074325884162005
Energy: 2.15789061419037
Energy: 2.1387986071950875
Energy: 2.787784268518172
Energy: 2.138428683147639
Energy: 2.7878107462543444
Energy: 2.138787823423488
Energy: 2.1578971587697056
Energy: 2.074322813355473
Energy: 2.155303521292663
Energy: 2.138520978569016
Energy: 2.7878107462400834
Energy: 2.138787823424082
Energy: 2.157897158576093
Energy: 2.074322813355473
Energy: 2.074041255716201
Energy: 2.5905973485044553
Energy: 2.0741611356381315
Energy: 2.0746410865815714
Energy: 2.8486707280451196
Energy: 2.5913256369458177
Energy: 2.0740412557156067
Energy: 2.5905973491280876
Energy: 2.0741611356387257
Energy: 2.074641086586906
Energy: 2.0740105596851763
Energy: 2.0743356836962765
Energy: 2.138660076929698
Energy: 2.07415525961371
Energy: 2.0740282300711725
Energy: 2.619447807313341
Energy: 2.0740105596845826
Energy: 2.0743356836938998
Energy: 2.138660076929698
Energy: 2.0741552598827577
Energy: 2.848594346319646
Energy: 2.074612273366897
Energy: 2.0741645895689445
Energy: 2.5905396642543086
Energy: 2.0740291753568236
Energy: 2.570250795101123
Energy: 2.848594346319646
Energy: 2.0746122733657084
Energy: 2.0741645895683503
Energy: 2.5905396642543086

minimum gb energy = 2.0740105596845826 eV
minimum distance =  2.36636464900613 Angstroms
sigma value = 15


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

Energy: 2.6653351147965205
Energy: 2.570228847560348
Energy: 2.410963838426259
Energy: 2.4772738816902273
Energy: 2.4112117479478297
Energy: 2.6403584283388475
Energy: 2.6653351147965205
Energy: 2.570228847560348
Energy: 2.410963838426259
Energy: 2.477273877277591
Energy: 2.5785560994478627
Energy: 2.3945162679978695
Energy: 2.4171270414359145
Energy: 2.373783554075821
Energy: 2.5045973889802564
Energy: 2.358782100340263
Energy: 2.5785560994478627
Energy: 2.3945162679978695
Energy: 2.4171270414359145
Energy: 2.373783554075821
Energy: 2.6175924673769586
Energy: 2.47107637384584
Energy: 2.5000982941248076
Energy: 2.4119947514565445
Energy: 2.431550017384762
Energy: 2.506807247578365
Energy: 2.6175924673769586
Energy: 2.47107637384584
Energy: 2.500098294170572
Energy: 2.4119947514565445
Energy: 2.6249271441707758
Energy: 2.3876879804839644
Energy: 2.4942672921773057
Energy: 2.3466300587116136
Energy: 2.4457151967177575
Energy: 2.3580056321122314
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Energy: 2.3876879804839644
Energy: 2.4942672921773057
Energy: 2.3466300587116136
Energy: 2.4677438981397906
Energy: 2.514424089454047
Energy: 2.3624067482868596
Energy: 2.4032213405049596
Energy: 2.3563198479669945
Energy: 2.373527365084241
Energy: 2.4677438981397906
Energy: 2.514424089454047
Energy: 2.3624067482868596
Energy: 2.4032213405049596
Energy: 2.371158671120033
Energy: 2.5161201379377456
Energy: 2.4663869587824303
Energy: 2.3478150486039633
Energy: 2.3612712706339622
Energy: 2.505907893805958
Energy: 2.371158671120033
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Energy: 2.3478150486039633
Energy: 2.4218013609031552
Energy: 2.424136965699431
Energy: 2.389885216863643
Energy: 2.5172796666587534
Energy: 2.3669105091052747
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Energy: 2.4218013609031552
Energy: 2.424136965699431
Energy: 2.389885216863643
Energy: 2.5172796666587534
Energy: 2.507133825239198
Energy: 2.5001915936684673
Energy: 2.439135781022648
Energy: 2.415819125188389
Energy: 2.537496799569512
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Energy: 2.507133825239198
Energy: 2.5001915936657735
Energy: 2.439135781022648
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Energy: 2.3462565029428966
Energy: 2.6156075769995146
Energy: 2.455731373923623
Energy: 2.4287388624150594
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Energy: 2.3996371909053718
Energy: 2.3462565029428966
Energy: 2.6156075769995146
Energy: 2.455731373923623
Energy: 2.4287388624150594
Energy: 2.41652650471579
Energy: 2.6012298909459908
Energy: 2.5002451308429574
Energy: 2.507206520707667
Energy: 2.4210730746697506
Energy: 2.4390179185162353
Energy: 2.41652650471579
Energy: 2.601229890948684
Energy: 2.5002451308429574
Energy: 2.507206520707667
Energy: 2.3623884555875305
Energy: 2.500223791290889
Energy: 2.465421339116571
Energy: 2.6341240495118527
Energy: 2.3530942712314737
Energy: 2.4252041017203587
Energy: 2.3623884555875305
Energy: 2.500223791290889
Energy: 2.465421339116571
Energy: 2.6341240495118527
Energy: 2.4863637373858873
Energy: 2.482143820278536
Energy: 2.4966226267922202
Energy: 2.3713048350228445
Energy: 2.393060994036297
Energy: 2.3644090133226188
Energy: 2.4863637373858873
Energy: 2.482143820278536
Energy: 2.4966226267922202
Energy: 2.3713048350228445
Energy: 2.510120266900638
Energy: 2.355455748790898
Energy: 2.5035869732303797
Energy: 2.4676490842933965
Energy: 2.4296291621644954
Energy: 2.3637179917853866
Energy: 2.510120266900638
Energy: 2.355455748790898
Energy: 2.5035869732303797
Energy: 2.4676490842933965
Energy: 2.3447460734923804
Energy: 2.51688001060864
Energy: 2.3896126123267067
Energy: 2.556395462025908
Energy: 2.503645731462654
Energy: 2.3540861049753325
Energy: 2.3447460734923804
Energy: 2.51688001060864
Energy: 2.3896126123267067
Energy: 2.556395462025908
Energy: 2.421597861228543
Energy: 2.5524275919511834
Energy: 2.496412836690241
Energy: 2.5503633234421956
Energy: 2.443260766869823
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Energy: 2.421597861228543
Energy: 2.5524275919511834
Energy: 2.496412836690241
Energy: 2.5503633234421956
Energy: 2.388979278968907
Energy: 2.4186540938359484
Energy: 2.6137794767928275
Energy: 2.7678922997085156
Energy: 2.347160240224744
Energy: 2.5027404998767593
Energy: 2.388979278968907
Energy: 2.4186540938359484
Energy: 2.6137794767928275
Energy: 2.7678922997085156
Energy: 2.450873170085753
Energy: 2.406520421063817
Energy: 2.518173010977014
Energy: 2.535696649736426
Energy: 2.516440070861133
Energy: 2.4223734843871596
Energy: 2.450873170085753
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Energy: 2.440536219569606
Energy: 2.5050771619940955
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Energy: 2.388777481422587
Energy: 2.441745267081268
Energy: 2.443223959080006
Energy: 2.503288691478639
Energy: 2.3910333393184073
Energy: 2.49950826586675
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Energy: 2.504276807340288
Energy: 2.374187404779859
Energy: 2.636259171091221
Energy: 2.386663640916631
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Energy: 2.3641198073616314
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Energy: 2.4651841070309164
Energy: 2.4669280025189737
Energy: 2.6422560966517734
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Energy: 2.516729802926133
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Energy: 2.4181866138801618
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Energy: 2.432392719503407
Energy: 2.448448328012551
Energy: 2.345068268599538
Energy: 2.49045240094121
Energy: 2.5001311920221623
Energy: 2.5076868789462243
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Energy: 2.448448328012551
Energy: 2.345068268599538
Energy: 2.49045240094121
Energy: 2.4369823867455267
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Energy: 2.399300765331533
Energy: 2.3646934057466944
Energy: 2.4249292777778595
Energy: 2.453800032444407
Energy: 2.4369823867455267
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Energy: 2.3646934057466944
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Energy: 2.437737210593834
Energy: 2.41623470916616
Energy: 2.567424551187956
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Energy: 2.584632334887073
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Energy: 2.5787505197889793
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Energy: 2.466843262669857
Energy: 2.3471957763421742
Energy: 2.6192285073557997
Energy: 2.4992555318679375
Energy: 2.5787505197889793
Energy: 2.3448767322145616
Energy: 2.466843262669857
Energy: 2.3471957763421742
Energy: 2.3915065118424916
Energy: 2.3674621428834186
Energy: 2.3643117291140197
Energy: 2.399544025777231
Energy: 2.3553966868004457
Energy: 2.6000852704181745
Energy: 2.3915065118424916
Energy: 2.3674621428834186
Energy: 2.3643117291140197
Energy: 2.399544025777231
Energy: 2.643441926896712
Energy: 2.4308789043540604
Energy: 2.4102216980748
Energy: 2.4690636980125977
Energy: 2.4465675057806373
Energy: 2.6181915762412493
Energy: 2.643441926896712
Energy: 2.4308789043540604
Energy: 2.4102216980748
Energy: 2.469063697899521
Energy: 2.3907990511026775
Energy: 2.6381397823415815
Energy: 2.351917202126161
Energy: 2.3452310277502035
Energy: 2.5183863400426767
Energy: 2.496477594986276
Energy: 2.3907990511026775
Energy: 2.6381397823415815
Energy: 2.351917202126161
Energy: 2.3452310277502035
Energy: 2.56705568879535
Energy: 2.456912205930197
Energy: 2.410857990964849
Energy: 2.3446998825045955
Energy: 2.431865800170308
Energy: 2.661066582696908
Energy: 2.56705568879535
Energy: 2.456912205930197
Energy: 2.410857990932527
Energy: 2.3446998825045955
Energy: 2.4755567545681956
Energy: 2.446173501933521
Energy: 2.468967632623944
Energy: 2.3920293706594653
Energy: 2.353805122982446
Energy: 2.4940630037540745
Energy: 2.4755567545681956
Energy: 2.446173501933521
Energy: 2.4689676326212506
Energy: 2.3920293706621583
Energy: 2.497753698949457
Energy: 2.5847359118272033
Energy: 2.412160595250685
Energy: 2.449809630474147
Energy: 2.41304464294545
Energy: 2.5541425217259124
Energy: 2.497753698949457
Energy: 2.5847359118272033
Energy: 2.412160595250685
Energy: 2.449809630474147
Energy: 2.498308560937655
Energy: 2.701763723165083
Energy: 2.409860618552838
Energy: 2.4331061481644
Energy: 2.3573123536301237
Energy: 2.498976758234944
Energy: 2.498308560937655
Energy: 2.701763723165083
Energy: 2.409860618552838
Energy: 2.4331061481644
Energy: 2.4588150792534664
Energy: 2.4043220921968573
Energy: 2.377415245757621
Energy: 2.388785077231443
Energy: 2.5427270676888303
Energy: 2.4568816975741177
Energy: 2.45881507925616
Energy: 2.4043220921968573
Energy: 2.377415245757621
Energy: 2.388785077231443
Energy: 2.51742139818068
Energy: 2.4985739588386995
Energy: 2.432460220931517
Energy: 2.3445111574716218
Energy: 2.420185493070125
Energy: 2.448597228820015
Energy: 2.517421398183373
Energy: 2.4985739588386995
Energy: 2.432460220931517
Energy: 2.3445111574716218
Energy: 2.368512700117087
Energy: 2.4983672553307814
Energy: 2.5171081377458617
Energy: 2.422731071936793
Energy: 2.351677880023276
Energy: 2.6382459984400706
Energy: 2.368512700117087
Energy: 2.4983672553307814
Energy: 2.5171081377458617
Energy: 2.422731071936793
Energy: 2.4688490948737365
Energy: 2.443146825771088
Energy: 2.482190605881695
Energy: 2.471323249231777
Energy: 2.4157212341084966
Energy: 2.5845313401234775
Energy: 2.4688490948737365
Energy: 2.4431468257686637
Energy: 2.482190605881695
Energy: 2.47132324923447
Energy: 2.490926038600318
Energy: 2.516273332042868
Energy: 2.355202227748725
Energy: 2.3999768335459684
Energy: 2.366886638988157
Energy: 2.4170513581228
Energy: 2.490926038600318
Energy: 2.516273332042868
Energy: 2.355202227748725
Energy: 2.3999768335459684
Energy: 2.4963264500238718
Energy: 2.500344687795585
Energy: 2.6192163769426555
Energy: 2.4206422970416046
Energy: 2.4601731866484333
Energy: 2.3472903421133497
Energy: 2.4963264500238718
Energy: 2.500344687795585
Energy: 2.6192163769426555
Energy: 2.4206422970416046
Energy: 2.444378277801289
Energy: 2.465481849153783
Energy: 2.5426624589281253
Energy: 2.414195426132619
Energy: 2.4379477732170676
Energy: 2.3687435529359644
Energy: 2.444378277801289
Energy: 2.465481849153783
Energy: 2.5426624589281253
Energy: 2.414195426132619
Energy: 2.4158105505337577
Energy: 2.4518124571967936
Energy: 2.464904614524026
Energy: 2.4019586041807606
Energy: 2.4023445706055195
Energy: 2.4572364537554074
Energy: 2.4158105505337577
Energy: 2.4518124571967936
Energy: 2.464904614524026
Energy: 2.4019586041807606
Energy: 2.4280356820874234
Energy: 2.5068722908976913
Energy: 2.4992417968398106
Energy: 2.53725253978089
Energy: 2.3535775985784677
Energy: 2.4602081123887762
Energy: 2.4280356820874234
Energy: 2.5068722908976913
Energy: 2.4992417968398106
Energy: 2.53725253978089
Energy: 2.5164013741135354
Energy: 2.3551397143431427
Energy: 2.673245499848809
Energy: 2.6152314723262404
Energy: 2.423825990824239
Energy: 2.3612285576803194
Energy: 2.5164013741135354
Energy: 2.3551397143431427
Energy: 2.673245499848809
Energy: 2.6152314723262404
Energy: 2.596651490558604
Energy: 2.4901230423525957
Energy: 2.5502366092996755
Energy: 2.467874495018904
Energy: 2.5516111302623075
Energy: 2.4209624882654754
Energy: 2.596651490558604
Energy: 2.4901230423525957
Energy: 2.5502366092996755
Energy: 2.467874495018904
Energy: 2.4264539639045144
Energy: 2.496084212154297
Energy: 2.5541632499907214
Energy: 2.372348839656509
Energy: 2.638099298417755
Energy: 2.356702031385023
Energy: 2.4264539639045144
Energy: 2.496084212154297
Energy: 2.5541632499907214
Energy: 2.372348839656509
Energy: 2.3520060233601283
Energy: 2.431368036689663
Energy: 2.4965181767659486
Energy: 2.46609691246097
Energy: 2.3474254054299575
Energy: 2.449243126243106
Energy: 2.3520060233601283
Energy: 2.431368036689663
Energy: 2.4965181767659486
Energy: 2.46609691246097
Energy: 2.392030685476665
Energy: 2.4169581888774725
Energy: 2.38822233134882
Energy: 2.440481713599579
Energy: 2.458373690006955
Energy: 2.4422585035651916
Energy: 2.392030685476665
Energy: 2.4169581888774725
Energy: 2.38822233134882
Energy: 2.440481713599579
Energy: 2.4496803285055653
Energy: 2.4066349280834007
Energy: 2.6902536972330044
Energy: 2.492797946947176
Energy: 2.424994585079491
Energy: 2.388794351152499
Energy: 2.4496803285055653
Energy: 2.4066349280834007
Energy: 2.6902536972330044
Energy: 2.492797946947176

minimum gb energy = 2.3445111574716218 eV
minimum distance =  2.35931958823609 Angstroms
sigma value = 437


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

Energy: 2.403718022233298
Energy: 2.436110178401166
Energy: 2.3356023644169013
Energy: 2.660811927438777
Energy: 2.3356179033782523
Energy: 2.4041078922955856
Energy: 2.403718022232317
Energy: 2.436110178401166
Energy: 2.33560236441592
Energy: 2.660811927553542
Energy: 2.3957443864972934
Energy: 3.0254532115068655
Energy: 2.341056494268685
Energy: 2.3834881634351146
Energy: 2.703753632724743
Energy: 2.388133003762784
Energy: 2.3957443864972934
Energy: 3.025453211505884
Energy: 2.341056494268685
Energy: 2.3834881634360956
Energy: 2.400097909685818
Energy: 2.325366134706294
Energy: 2.3898236531644845
Energy: 2.327704786162383
Energy: 2.334211073063474
Energy: 2.3277880221381815
Energy: 2.400097909685818
Energy: 2.325366134706294
Energy: 2.389823651344058
Energy: 2.327704786162383
Energy: 2.71972735326894
Energy: 2.3402986399402343
Energy: 2.355262747408298
Energy: 2.397552771825779
Energy: 2.3353154818949076
Energy: 2.3943034233495037
Energy: 2.7197273532699215
Energy: 2.340298639941216
Energy: 2.355262747408298
Energy: 2.397552771825779
Energy: 2.3630397410188992
Energy: 2.7393269265192086
Energy: 2.3387468596435057
Energy: 2.374334532482041
Energy: 2.3968728243553126
Energy: 2.419081557381846
Energy: 2.3630397410188992
Energy: 2.5050481203354957
Energy: 2.3387468596435057
Energy: 2.374334532482041
Energy: 2.395368173979777
Energy: 2.381450947662365
Energy: 2.3524050735024566
Energy: 2.503010182732958
Energy: 2.353114691436839
Energy: 2.401284822826151
Energy: 2.395368173979777
Energy: 2.381450947662365
Energy: 2.352405073501475
Energy: 2.5030101827339393
Energy: 2.7195484081176295
Energy: 2.3274897030666093
Energy: 2.419953120702058
Energy: 2.3900197214167767
Energy: 2.338598580296388
Energy: 2.3250729379615613
Energy: 2.7195484081186105
Energy: 2.3274897030656283
Energy: 2.4199531207030396
Energy: 2.390019721418739
Energy: 2.4010313283307148
Energy: 2.3224888692193972
Energy: 2.333972837092149
Energy: 2.3970037683474317
Energy: 2.408096363634514
Energy: 2.3402941005622577
Energy: 2.401031328329756
Energy: 2.3224888692193972
Energy: 2.33397283709313
Energy: 2.3970037683474317
Energy: 2.3966177225039704
Energy: 2.383643609169493
Energy: 2.947903617055978
Energy: 2.671635482033039
Energy: 2.335332785919086
Energy: 3.0248196774116294
Energy: 2.3966177225049514
Energy: 2.3836436091685114
Energy: 2.947903617054997
Energy: 2.671635482032058
Energy: 2.4002989948738094
Energy: 2.403772636128545
Energy: 2.3517950583556413
Energy: 2.3543419686994214
Energy: 2.3403893151865898
Energy: 2.7561684753644453
Energy: 2.4002989948738094
Energy: 2.4037726361295264
Energy: 2.3517950583546603
Energy: 2.354341968700403
Energy: 2.7122310721489953
Energy: 2.392108147190303
Energy: 2.3381030695766882
Energy: 2.3921343029858986
Energy: 2.4737726218726097
Energy: 2.3281668125424786
Energy: 2.712231072148036
Energy: 2.392108147191284
Energy: 2.3381030695776692
Energy: 2.3921343029858986
Energy: 2.549748983849262
Energy: 2.3225834371379204
Energy: 2.4297873800581558
Energy: 2.3402485974019855
Energy: 2.429091803882455
Energy: 2.3225084501393143
Energy: 2.549748983849262
Energy: 2.3225834371369394
Energy: 2.4297873800581558
Energy: 2.3402485974019855
Energy: 2.712273684630954
Energy: 2.3281161083172734
Energy: 2.4737726218716287
Energy: 2.3920472082150113
Energy: 2.338167465748103
Energy: 2.3921668992856864
Energy: 2.712273684630954
Energy: 2.328116108316292
Energy: 2.4737726218726097
Energy: 2.3920472082150113
Energy: 2.400652708924859
Energy: 2.7559637625368003
Energy: 2.3403844068128508
Energy: 2.3477794419490623
Energy: 2.3523117822746196
Energy: 2.403940761354388
Energy: 2.400652708924859
Energy: 2.755963762538763
Energy: 2.3403844068128508
Energy: 2.3477794419490623

minimum gb energy = 2.3224888692193972 eV
minimum distance =  2.30806974461667 Angstroms
sigma value = 33