Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6111526265740403
cohesive_energy=4.249969078910889
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.0 eV

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

Energy: 0.01647608834304961
Energy: 1.640508556838054
Energy: 0.01647608834304961
Energy: 1.6405085568383682
Energy: 0.01647608834304961
Energy: 1.6405085568389621
Energy: 1.640508556838054
Energy: 1.422179680563887
Energy: 1.6405085568386826
Energy: 1.422179680563887
Energy: 1.6405085568392763
Energy: 1.4221796805645157
Energy: 0.01647608834304961
Energy: 1.6405085568386826
Energy: 0.01647608834304961
Energy: 1.6405085568386826
Energy: 0.01647608834304961
Energy: 1.6405085568389621
Energy: 1.6405085568386826
Energy: 1.4221796805651095
Energy: 1.6405085568383682
Energy: 1.4221796805629792
Energy: 1.6405085568377398
Energy: 1.4221796805651095
Energy: 0.01647608834304961
Energy: 1.6405085568386826
Energy: 0.01647608834304961
Energy: 1.6405085568389621
Energy: 0.01647608834304961
Energy: 1.6405085568386826
Energy: 1.6405085568386826
Energy: 1.422179680563887
Energy: 1.6405085568386826
Energy: 1.4221796805642013
Energy: 1.6405085568386826
Energy: 1.4221796805629792

minimum gb energy = 0.01647608834304961 eV
minimum distance =  2.47163094597653 Angstroms
sigma value = 1


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

Energy: 1.5883154001717752
Energy: 1.5844100473393385
Energy: 1.5883154001710187
Energy: 1.5844100473393385
Energy: 1.5883154001717752
Energy: 1.5844100473385818
Energy: 1.8814016663765425
Energy: 1.3157512340235729
Energy: 1.8814016663750295
Energy: 1.3157512340228161
Energy: 1.881401666375786
Energy: 1.3157512340235729
Energy: 1.5188340946110137
Energy: 1.5112725865934746
Energy: 1.5188340946117702
Energy: 1.5112725865934746
Energy: 1.5188340946102572
Energy: 1.5112725865949876
Energy: 1.8007900834606985
Energy: 1.4513490991798794
Energy: 1.8007900834614547
Energy: 1.4513490991798794
Energy: 1.8007900834606985
Energy: 1.4513490991806361
Energy: 1.5764641268490134
Energy: 1.7013307933364556
Energy: 1.5764641268490134
Energy: 1.7013307933379687
Energy: 1.5764641268497699
Energy: 1.7013307933379687
Energy: 1.5101930030221944
Energy: 1.4771506016153284
Energy: 1.5101930030206814
Energy: 1.4771506016145717
Energy: 1.5101930030214379
Energy: 1.4771506016153284
Energy: 1.4510165035577474
Energy: 1.551819031851828
Energy: 1.4510165035569909
Energy: 1.5518190318525844
Energy: 1.4510165035539648
Energy: 1.5518190318382108
Energy: 1.5103546797911813
Energy: 1.796189775131951
Energy: 1.5103546797919378
Energy: 1.7961897751327074
Energy: 1.5103546797919378
Energy: 1.7961897751327074
Energy: 1.6764202686337568
Energy: 1.5259611161773488
Energy: 1.6764202686337568
Energy: 1.5259611161788618
Energy: 1.6764202686337568
Energy: 1.5259611161788618
Energy: 1.3181640074457017
Energy: 1.7025713004610434
Energy: 1.3181640074441887
Energy: 1.7025713004610434
Energy: 1.3181640074441887
Energy: 1.7025713004610434
Energy: 1.8199864691123901
Energy: 1.3418554479156501
Energy: 1.8199864691116334
Energy: 1.3418554479148936
Energy: 1.8199864691123901
Energy: 1.3418554479156501
Energy: 1.3442203030430453
Energy: 2.0293648564392353
Energy: 1.3442203030430453
Energy: 2.029364856440748
Energy: 1.3442203030422888
Energy: 2.0293648564399915
Energy: 1.704093375460248
Energy: 1.315216296350704
Energy: 1.7040933754587348
Energy: 1.315216296350704
Energy: 1.7040933754564653
Energy: 1.3152162963499476
Energy: 1.357152048698047
Energy: 1.3657156201700302
Energy: 1.3571520486987347
Energy: 1.3657156201685172
Energy: 1.3571520486987347
Energy: 1.365715620170787
Energy: 1.8188157240630702
Energy: 1.37640387935974
Energy: 1.8188157240645144
Energy: 1.3764038793604965
Energy: 1.818815724065271
Energy: 1.37640387935974
Energy: 1.7383798096916234
Energy: 1.7231300919358583
Energy: 1.7383798096901104
Energy: 1.723130091936615
Energy: 1.738379809689354
Energy: 1.723130091936615
Energy: 1.6446107351959003
Energy: 1.4795679925946377
Energy: 1.6446107351959003
Energy: 1.4795679925923682
Energy: 1.6446107351959003
Energy: 1.4795679925946377
Energy: 1.649985830558504
Energy: 1.5091266042851268
Energy: 1.649985830560017
Energy: 1.509126604285883
Energy: 1.649985830560017
Energy: 1.509126604285883
Energy: 1.3131774042892619
Energy: 1.4959534263446908
Energy: 1.3131774042892619
Energy: 1.4959534263439342
Energy: 1.3131774042885052
Energy: 1.4959534263439342
Energy: 1.6384780093953815
Energy: 1.4739744646388566
Energy: 1.6384780093984075
Energy: 1.4739744646381003
Energy: 1.6384780093976508
Energy: 1.4739744646373438
Energy: 1.3224630800243695
Energy: 2.019747095084103
Energy: 1.3224630800266388
Energy: 2.0197470950833467
Energy: 1.3224630800266388
Energy: 2.019747095084103
Energy: 1.5861219189093105
Energy: 1.4807495333482588
Energy: 1.5861219189108233
Energy: 1.4807495333459892
Energy: 1.5861219189093105
Energy: 1.4807495333497718
Energy: 1.1496078685702529
Energy: 1.9820749038020726
Energy: 1.1496078685694964
Energy: 1.9820749038020726
Energy: 1.1496078685702529
Energy: 1.9820749038020726

minimum gb energy = 1.1496078685694964 eV
minimum distance =  2.39582630286757 Angstroms
sigma value = 33


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

Energy: 1.5400630314617145
Energy: 1.636829651106936
Energy: 1.5400630314621448
Energy: 1.636829651106506
Energy: 1.5400630314621448
Energy: 1.636829651106936
Energy: 1.665818330332389
Energy: 1.602532624597104
Energy: 1.6658183303259735
Energy: 1.6025326245958134
Energy: 1.6658183303315284
Energy: 1.602532624595383
Energy: 1.3739579899564862
Energy: 1.5552329216676197
Energy: 1.3739579899564862
Energy: 1.5552329216658987
Energy: 1.3739579899582073
Energy: 1.5552329216654683
Energy: 1.6523996691900318
Energy: 1.4858016249437873
Energy: 1.6523996691908922
Energy: 1.485801624941636
Energy: 1.6523996691908922
Energy: 1.4858016249433572
Energy: 1.5809170640969803
Energy: 1.5830492052785359
Energy: 1.5809170640965498
Energy: 1.5830492052776752
Energy: 1.5809170640969803
Energy: 1.5830492052785359
Energy: 1.566823207004066
Energy: 1.37573674740093
Energy: 1.5668232070032053
Energy: 1.3757367474004998
Energy: 1.5668232070032053
Energy: 1.3757367474004998
Energy: 1.551496141119364
Energy: 1.7055153406990162
Energy: 1.5514961411219457
Energy: 1.7055153406990162
Energy: 1.5514961411189336
Energy: 1.7055153406994465
Energy: 1.2747801769248077
Energy: 1.8073084166889237
Energy: 1.2747801769252378
Energy: 1.8073084166893536
Energy: 1.2747801769248077
Energy: 1.8073084166893536
Energy: 1.386332373436843
Energy: 1.4959027550251651
Energy: 1.3863323734351218
Energy: 1.4959027550243047
Energy: 1.3863323734359825
Energy: 1.495902755024735
Energy: 1.2160879104356892
Energy: 1.6193748653765083
Energy: 1.2160879104356892
Energy: 1.6193748653915687
Energy: 1.2160879104352587
Energy: 1.6193748653795204
Energy: 1.8531130527771262
Energy: 1.13836144678758
Energy: 1.853113052775835
Energy: 1.13836144678758
Energy: 1.8531130527775561
Energy: 1.13836144678801
Energy: 1.4868271090690857
Energy: 1.4144080699478372
Energy: 1.486827109066934
Energy: 1.414408069946116
Energy: 1.4868271090686553
Energy: 1.4144080699439643
Energy: 1.7056842956522935
Energy: 1.3444714469882082
Energy: 1.7056842956522935
Energy: 1.3444714469890686
Energy: 1.7056842956514329
Energy: 1.344471446989499
Energy: 1.4328204351293066
Energy: 1.6306893921717007
Energy: 1.432820435128876
Energy: 1.630689392172131
Energy: 1.432820435128876
Energy: 1.6306893921712704
Energy: 1.6964758625335177
Energy: 1.5943380568233667
Energy: 1.6964758625339482
Energy: 1.5943380568233667
Energy: 1.6964758625339482
Energy: 1.5943380568229368
Energy: 1.3919372777764298
Energy: 1.5595089207906223
Energy: 1.3919372777811632
Energy: 1.5595089207906223
Energy: 1.391937277777721
Energy: 1.5595089207910526
Energy: 1.4853831778699156
Energy: 1.4962907379750525
Energy: 1.4853831778673339
Energy: 1.4962907379711798
Energy: 1.4853831778716369
Energy: 1.4962907379703192
Energy: 1.5764139389123535
Energy: 1.486525555184258
Energy: 1.576413938915796
Energy: 1.4865255551833976
Energy: 1.576413938910202
Energy: 1.486525555184258
Energy: 1.5525030886019997
Energy: 1.5508102046082697
Energy: 1.5525030886019997
Energy: 1.5508102046091303
Energy: 1.5525030886028601
Energy: 1.5508102046121424
Energy: 1.6299021001903309
Energy: 1.43645271040719
Energy: 1.6299021001899006
Energy: 1.4364527104076201
Energy: 1.6299021001903309
Energy: 1.4364527104067597
Energy: 1.273321210453595
Energy: 1.7649938605179154
Energy: 1.2733212104531648
Energy: 1.764993860518346
Energy: 1.273321210453595
Energy: 1.7649938605196365
Energy: 1.869466366656172
Energy: 1.4366013085883196
Energy: 1.8694663666557414
Energy: 1.43660130858875
Energy: 1.869466366656172
Energy: 1.43660130858875
Energy: 1.1492398464518463
Energy: 1.6171575243020766
Energy: 1.1492398464522766
Energy: 1.6171575243029372
Energy: 1.1492398464522766
Energy: 1.6171575242986342
Energy: 1.57570360613979
Energy: 1.541217110558163
Energy: 1.5757036061402199
Energy: 1.5412171105585932
Energy: 1.5757036061346261
Energy: 1.541217110558163
Energy: 1.3748272993482389
Energy: 1.580291133406452
Energy: 1.3748272993456572
Energy: 1.5802911334068823
Energy: 1.3748272993495299
Energy: 1.580291133406452
Energy: 1.8110316703289513
Energy: 1.5673160867054365
Energy: 1.8110316703280906
Energy: 1.5673160867054365
Energy: 1.8110316703298115
Energy: 1.5673160867050062
Energy: 1.8023076851691675
Energy: 1.5707059063977376
Energy: 1.8023076851687372
Energy: 1.5707059063981679
Energy: 1.8023076851695976
Energy: 1.5707059063968771
Energy: 1.4833462783216043
Energy: 1.5083346016652814
Energy: 1.4833462783207436
Energy: 1.5083346016678632
Energy: 1.4833462783216043
Energy: 1.5083346016661419
Energy: 1.625016613230077
Energy: 1.4987467303271997
Energy: 1.6250166132313681
Energy: 1.4987467303271997
Energy: 1.6250166132313681
Energy: 1.49874673032763
Energy: 1.1175082075293385
Energy: 1.8913793755050288
Energy: 1.117508207528908
Energy: 1.8913793755058896
Energy: 1.1175082075293385
Energy: 1.8913793755050288
Energy: 2.0062273541761253
Energy: 1.4958749930562782
Energy: 2.0062273541761253
Energy: 1.4958749930567086
Energy: 2.0062273541761253
Energy: 1.4958749930579995
Energy: 1.3582774022422528
Energy: 1.7063897091381124
Energy: 1.3582774022431134
Energy: 1.7063897091385432
Energy: 1.3582774022431134
Energy: 1.7063897091389733
Energy: 1.6291186964218656
Energy: 1.436343958732933
Energy: 1.6291186964218656
Energy: 1.4363439587316422
Energy: 1.6291186964218656
Energy: 1.436343958732933
Energy: 1.5910850936588152
Energy: 1.6553876676634947
Energy: 1.591085093659245
Energy: 1.6553876676630646
Energy: 1.5910850936596757
Energy: 1.6553876676634947
Energy: 1.5033229991256298
Energy: 1.372699640924737
Energy: 1.50332299912606
Energy: 1.3726996409273187
Energy: 1.503322999127351
Energy: 1.3726996409268886
Energy: 1.4889664466464003
Energy: 1.6551018642258466
Energy: 1.4889664466455397
Energy: 1.6551018642245556
Energy: 1.4889664466464003
Energy: 1.655101864224986
Energy: 1.496561211449371
Energy: 1.5856875454780763
Energy: 1.4965612114489408
Energy: 1.5856875454789365
Energy: 1.4965612114506621
Energy: 1.5856875454785064
Energy: 1.4251436041932921
Energy: 1.5535313290916832
Energy: 1.4251436041954435
Energy: 1.5535313290916832
Energy: 1.425143604197595
Energy: 1.5535313290903923
Energy: 1.432853230596042
Energy: 1.6303452693319436
Energy: 1.4328532305977633
Energy: 1.6303452693319436
Energy: 1.4328532305969026
Energy: 1.6303452693332345
Energy: 1.793899971131013
Energy: 1.2749299079644392
Energy: 1.7938999711305825
Energy: 1.2749299079644392
Energy: 1.7938999711305825
Energy: 1.2749299079648695
Energy: 1.4862636720869553
Energy: 1.3868202843788804
Energy: 1.486263672087816
Energy: 1.3868202843771595
Energy: 1.4862636720873854
Energy: 1.3868202843801714

minimum gb energy = 1.117508207528908 eV
minimum distance =  2.39161335630069 Angstroms
sigma value = 51


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

Energy: 1.5618718270861278
Energy: 1.677577177775414
Energy: 1.5618718270871248
Energy: 1.677577177775414
Energy: 1.5618718270871248
Energy: 1.677577177775414
Energy: 1.722278841076216
Energy: 1.3928573366070123
Energy: 1.7222788410772132
Energy: 1.3928573366070123
Energy: 1.722278841076216
Energy: 1.3928573366060153
Energy: 1.4995614798545198
Energy: 2.0653116593019734
Energy: 1.4995614798545198
Energy: 2.0653116593029703
Energy: 1.4995614798545198
Energy: 2.0653116593019734
Energy: 1.5004034775609678
Energy: 1.2738226266931496
Energy: 1.5004034775609678
Energy: 1.2738226266931496
Energy: 1.5004034775609678
Energy: 1.2738226266931496
Energy: 1.482974313054244
Energy: 1.52932087296719
Energy: 1.4829743130552413
Energy: 1.5293208729661933
Energy: 1.4829743130552413
Energy: 1.5293208729661933
Energy: 1.8455786562587082
Energy: 1.5292598679491756
Energy: 1.8455786562587082
Energy: 1.5292598679501728
Energy: 1.845578656259705
Energy: 1.5292598679501728
Energy: 1.7065320280567735
Energy: 1.470042116222461
Energy: 1.7065320280567735
Energy: 1.470042116221464
Energy: 1.7065320280567735
Energy: 1.470042116222461
Energy: 1.379023132335366
Energy: 1.572122628776553
Energy: 1.3790231323343691
Energy: 1.572122628776553
Energy: 1.379023132335366
Energy: 1.572122628776553
Energy: 1.8585897830679126
Energy: 1.2741460479906686
Energy: 1.8585897830679126
Energy: 1.2741460479906686
Energy: 1.8585897830679126
Energy: 1.2741460479906686
Energy: 1.512957453566578
Energy: 1.963251005663967
Energy: 1.512957453566578
Energy: 1.963251005663967
Energy: 1.512957453566578
Energy: 1.9632510056649637
Energy: 1.8272016673953608
Energy: 1.2991795766147878
Energy: 1.8272016673953608
Energy: 1.2991795766147878
Energy: 1.8272016673953608
Energy: 1.2991795766157848
Energy: 1.4997543043564832
Energy: 1.6802999787808843
Energy: 1.4997543043574801
Energy: 1.6802999787808843
Energy: 1.4997543043584771
Energy: 1.6802999787808843
Energy: 1.882558455880633
Energy: 1.4049197861713658
Energy: 1.8825584558816297
Energy: 1.4049197861713658
Energy: 1.882558455882627
Energy: 1.4049197861713658
Energy: 1.449302003400988
Energy: 1.4503418023745456
Energy: 1.44930200340194
Energy: 1.4503418023735484
Energy: 1.44930200340194
Energy: 1.4503418023725514
Energy: 1.6114721775568401
Energy: 1.512193521856136
Energy: 1.611472177557837
Energy: 1.512193521855139
Energy: 1.611472177557837
Energy: 1.512193521855139
Energy: 1.4266335204608294
Energy: 1.529147832426673
Energy: 1.4266335204558447
Energy: 1.529147832424679
Energy: 1.4266335204558447
Energy: 1.529147832425676
Energy: 1.5688043114378072
Energy: 1.7167906313287373
Energy: 1.5688043114388044
Energy: 1.7167906313287373
Energy: 1.5688043114368104
Energy: 1.7167906313267431
Energy: 1.639479847335319
Energy: 1.471563717488035
Energy: 1.639479847334322
Energy: 1.471563717489032
Energy: 1.639479847335319
Energy: 1.471563717488035

minimum gb energy = 1.2738226266931496 eV
minimum distance =  2.32951731283926 Angstroms
sigma value = 19


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

Energy: 1.7299354562652405
Energy: 1.1450199320555075
Energy: 1.6275841317198296
Energy: 1.145019932056099
Energy: 1.7299354562652405
Energy: 1.1450199320566905
Energy: 1.5180560654887796
Energy: 1.594629187201504
Energy: 1.5180560654870052
Energy: 1.5946291872003213
Energy: 1.518056065488188
Energy: 1.5946291872009128
Energy: 1.1012791495453298
Energy: 1.6754545395195914
Energy: 1.1012791495453298
Energy: 1.6754545395195914
Energy: 1.101279149545921
Energy: 1.675454539520183
Energy: 1.601184667100085
Energy: 1.081568349500718
Energy: 1.6011846671012677
Energy: 1.0815683495013093
Energy: 1.601184667100085
Energy: 1.081568349500718
Energy: 1.4015492030641266
Energy: 1.4618902941073297
Energy: 1.4015492030641266
Energy: 1.4618902941073297
Energy: 1.4015492030641266
Energy: 1.4618902941079213
Energy: 1.2506954179433167
Energy: 1.4622884165051226
Energy: 1.2506954179421341
Energy: 1.4622884165045313
Energy: 1.2506954179409513
Energy: 1.4622884165045313
Energy: 1.459185960088895
Energy: 1.0816653303602095
Energy: 1.4591859600894865
Energy: 1.081665330360801
Energy: 1.459185960088895
Energy: 1.0816653303602095
Energy: 1.1012446123353772
Energy: 1.7820072582188151
Energy: 1.1012425514778015
Energy: 1.782007258219998
Energy: 1.101244612334786
Energy: 1.7820072582176325
Energy: 1.688856820528255
Energy: 1.66193167693571
Energy: 1.6888568205288463
Energy: 1.6619316769368928
Energy: 1.6888568205288463
Energy: 1.6619316769368928
Energy: 1.6275841317198296
Energy: 1.145019932056099
Energy: 1.6275841317198296
Energy: 1.1450199320566905
Energy: 1.6275841317186468
Energy: 1.1450199320572818
Energy: 1.5180560654870052
Energy: 1.5946291871991387
Energy: 1.518056065488188
Energy: 1.5946291872009128
Energy: 1.5180560654887796
Energy: 1.5946291871985472
Energy: 1.101279149545921
Energy: 1.6754545395195914
Energy: 1.101279149545921
Energy: 1.6754545395195914
Energy: 1.101279149545921
Energy: 1.6754545395190001
Energy: 1.601184667100085
Energy: 1.0815771180059937
Energy: 1.6011846671012677
Energy: 1.0815771180059937
Energy: 1.601184667100085
Energy: 1.0815771180054023
Energy: 1.4015492030647179
Energy: 1.4618902941067384
Energy: 1.4015492030647179
Energy: 1.4618902941073297
Energy: 1.4015492030647179
Energy: 1.4618902941073297
Energy: 1.2506954179421341
Energy: 1.4622884165051226
Energy: 1.2506954179433167
Energy: 1.4622884165051226
Energy: 1.2506954179421341
Energy: 1.4622884165051226
Energy: 1.4591859600894865
Energy: 1.0816653303602095
Energy: 1.459185960088895
Energy: 1.081665330360801
Energy: 1.459185960088895
Energy: 1.0816653303596182
Energy: 1.101398378794434
Energy: 1.7820072582176325
Energy: 1.101323093835777
Energy: 1.782007258219998
Energy: 1.101398378794434
Energy: 1.7820072582205895
Energy: 1.5815676781521744
Energy: 1.6619316769363015
Energy: 1.6888568205300294
Energy: 1.6619316769363015
Energy: 1.5815676781492172
Energy: 1.6619316769368928
Energy: 1.7299354562646492
Energy: 1.1450199320555075
Energy: 1.6275841317198296
Energy: 1.1450199320555075
Energy: 1.7299354562652405
Energy: 1.145019932056099
Energy: 1.518056065488188
Energy: 1.5946291872026865
Energy: 1.5180560654875968
Energy: 1.5946291872026865
Energy: 1.5180560654887796
Energy: 1.5946291871991387
Energy: 1.1012791495453298
Energy: 1.6754545395190001
Energy: 1.1012791495447385
Energy: 1.6754545395195914
Energy: 1.101279149545921
Energy: 1.6754545395195914
Energy: 1.601184667100085
Energy: 1.0815683495013093
Energy: 1.6011846670994934
Energy: 1.0815683495013093
Energy: 1.6011846670994934
Energy: 1.081568349500718
Energy: 1.4015492030653094
Energy: 1.4618902941067384
Energy: 1.4015492030647179
Energy: 1.4618902941055558
Energy: 1.4015492030641266
Energy: 1.4618902941061471
Energy: 1.2506954179415426
Energy: 1.462288416505714
Energy: 1.2506954179439083
Energy: 1.462288416505714
Energy: 1.2506954179427254
Energy: 1.462288416505714
Energy: 1.459185960088895
Energy: 1.0816653303613923
Energy: 1.459185960088304
Energy: 1.0816653303596182
Energy: 1.459185960088895
Energy: 1.0816653303613923
Energy: 1.101244612334786
Energy: 1.782007258218224
Energy: 1.1012425514778015
Energy: 1.7820072582176325
Energy: 1.101244612334786
Energy: 1.782007258218224
Energy: 1.6888568205288463
Energy: 1.6619316769368928
Energy: 1.6888568205294379
Energy: 1.6619316769374841
Energy: 1.6888568205300294
Energy: 1.6619316769363015
Energy: 1.6275841317192383
Energy: 1.1450199320555075
Energy: 1.6275841317198296
Energy: 1.1450199320555075
Energy: 1.6275841317192383
Energy: 1.145019932056099
Energy: 1.5180560654875968
Energy: 1.5946291872020955
Energy: 1.5180560654870052
Energy: 1.5946291872009128
Energy: 1.5180560654864141
Energy: 1.5946291872020955
Energy: 1.1012791495453298
Energy: 1.6754545395195914
Energy: 1.1012791495453298
Energy: 1.6754545395195914
Energy: 1.101279149545921
Energy: 1.675454539520183

minimum gb energy = 1.081568349500718 eV
minimum distance =  2.30772161208835 Angstroms
sigma value = 27


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

Energy: 1.3923672420963709
Energy: 1.3765230483593174
Energy: 1.3923672420963709
Energy: 1.3765230483593174
Energy: 1.3923672420963709
Energy: 1.3765230483593174
Energy: 1.5616991003294662
Energy: 1.2701994137049553
Energy: 1.5616991003280176
Energy: 1.2701994137064039
Energy: 1.5616991003294662
Energy: 1.2701994137064039
Energy: 1.0927421095907055
Energy: 1.4113175591535003
Energy: 1.0927421095907055
Energy: 1.411317560432048
Energy: 1.0927421095907055
Energy: 1.4113175597818932
Energy: 1.5387465926510284
Energy: 1.279731926800987
Energy: 1.5387465926510284
Energy: 1.279731926800987
Energy: 1.5387465926510284
Energy: 1.279731926800987
Energy: 1.6883477019780737
Energy: 1.1896688559624296
Energy: 1.6883477019780737
Energy: 1.1896688559667756
Energy: 1.6883477019780737
Energy: 1.1896688559638782
Energy: 1.3635062843242465
Energy: 1.8284176806179824
Energy: 1.363506284328592
Energy: 1.8284176806179824
Energy: 1.3635062843242465
Energy: 1.8284176806179824
Energy: 1.3072850613279685
Energy: 1.4124576784830172
Energy: 1.3072850613279685
Energy: 1.4124576784815686
Energy: 1.3072850613279685
Energy: 1.4124576784815686
Energy: 1.3911451037507256
Energy: 1.3809791573233576
Energy: 1.3911451037521743
Energy: 1.3809791573233576
Energy: 1.3911451037521743
Energy: 1.3809791573233576
Energy: 1.6842244080543725
Energy: 1.268954696971417
Energy: 1.6842244080543725
Energy: 1.268954696971417
Energy: 1.6842244080543725
Energy: 1.2689546969728653
Energy: 1.4061410134294001
Energy: 1.452738683948858
Energy: 1.4061410134294001
Energy: 1.452738683948858
Energy: 1.4061410134308487
Energy: 1.452738683948858
Energy: 1.3556878589636239
Energy: 1.3637079971036452
Energy: 1.3556878589636239
Energy: 1.3637079971036452
Energy: 1.301258916682421
Energy: 1.3637079971036452
Energy: 1.7055739399269991
Energy: 1.3995481249205421
Energy: 1.7055739399284477
Energy: 1.3995481249190935
Energy: 1.7055739399284477
Energy: 1.3995481249205421

minimum gb energy = 1.0927421095907055 eV
minimum distance =  2.31418180832535 Angstroms
sigma value = 9


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

Energy: 1.5465578200200416
Energy: 1.182472634960548
Energy: 1.5465578200200416
Energy: 1.18247263495892
Energy: 1.5465578200192274
Energy: 1.182472634959327
Energy: 1.6399028996076082
Energy: 1.2095795067675512
Energy: 1.6399028996348786
Energy: 1.205707902385341
Energy: 1.639902899607201
Energy: 1.3337520430367167
Energy: 1.1291258517467173
Energy: 1.6071623270114463
Energy: 1.1291258517471243
Energy: 1.607162327009004
Energy: 1.1291258517475313
Energy: 1.6071623270098185
Energy: 1.1787411214096308
Energy: 1.156148425653155
Energy: 1.1787411214092238
Energy: 1.156148425653562
Energy: 1.1787411214092238
Energy: 1.156148425653562
Energy: 1.2031200486647422
Energy: 1.153408273561336
Energy: 1.2031200486639282
Energy: 1.1534082735588937
Energy: 1.2031200486647422
Energy: 1.153408273561336
Energy: 1.4033326541235636
Energy: 1.2093434160218282
Energy: 1.4033326541251916
Energy: 1.2529869740240887
Energy: 1.4033326541260058
Energy: 1.2417729218802311
Energy: 1.1680328652323724
Energy: 1.242308831093577
Energy: 1.1680328652319656
Energy: 1.2423088310919492
Energy: 1.1680328652319656
Energy: 1.242308831094391
Energy: 1.1408495167224997
Energy: 1.3752589772161379
Energy: 1.1408495167257557
Energy: 1.3752589772169521
Energy: 1.1408495167233135
Energy: 1.3752589772161379
Energy: 1.6559976985350278
Energy: 1.1600364541060166
Energy: 1.6559976985366562
Energy: 1.1600364541039818
Energy: 1.655997698534621
Energy: 1.160036454106424
Energy: 1.2432419682400198
Energy: 1.6318330203555622
Energy: 1.2432419682400198
Energy: 1.6318330203547482
Energy: 1.2432419682400198
Energy: 1.6318330203555622
Energy: 1.180168994206339
Energy: 1.158615002329025
Energy: 1.1801689942075602
Energy: 1.1586150023294317
Energy: 1.180168994206746
Energy: 1.158615002328211
Energy: 1.1508452302756185
Energy: 1.379000433286332
Energy: 1.1508452302752115
Energy: 1.379000433286332
Energy: 1.1508452302748045
Energy: 1.379000433287553
Energy: 1.1912873832381363
Energy: 1.1382339538594228
Energy: 1.1912873832422066
Energy: 1.1382339538590158
Energy: 1.1912873832597084
Energy: 1.1382339538590158
Energy: 1.3721858194563228
Energy: 1.5126149874094872
Energy: 1.3721858194555088
Energy: 1.5126149874094872
Energy: 1.3721858194567298
Energy: 1.5126149874098942
Energy: 1.1676122007488137
Energy: 1.2533111311886864
Energy: 1.1676122007484067
Energy: 1.2533111311817673
Energy: 1.1676122007471854
Energy: 1.2533111311850231
Energy: 1.4235680204538406
Energy: 1.2634073224433566
Energy: 1.4235680204534333
Energy: 1.2634073224449847
Energy: 1.4235680204534333
Energy: 1.2634073224462055
Energy: 1.4882153278948695
Energy: 1.4204719685279654
Energy: 1.4882153278948695
Energy: 1.4204719685291864
Energy: 1.4882153278944623
Energy: 1.4204719685251164
Energy: 1.1375364985568148
Energy: 1.1611858706692424
Energy: 1.1375364985600709
Energy: 1.1611858706688356
Energy: 1.1375364985572216
Energy: 1.1611858706688356
Energy: 1.1431341641966832
Energy: 1.4814398133412936
Energy: 1.1431341641958692
Energy: 1.4814398133408868
Energy: 1.1431341641962762
Energy: 1.4814398133441429
Energy: 1.41422191299648
Energy: 1.2010130554740766
Energy: 1.4142219129977007
Energy: 1.2010130554748908
Energy: 1.4142219129981077
Energy: 1.2010130554740766
Energy: 1.1432416115417379
Energy: 1.4814372994621299
Energy: 1.1432416115405166
Energy: 1.481437299461723
Energy: 1.1432416115413306
Energy: 1.4814372994637581
Energy: 1.18032162924935
Energy: 1.1602998468189056
Energy: 1.18032162924935
Energy: 1.1602998468209407
Energy: 1.18032162924935
Energy: 1.1602998468201267
Energy: 1.4880335604860389
Energy: 1.420240808940669
Energy: 1.4880335604856318
Energy: 1.4202408089455534
Energy: 1.4880335604864459
Energy: 1.420240808941076
Energy: 1.4240231674459587
Energy: 1.3569972125809702
Energy: 1.424023167448401
Energy: 1.3569972125809702
Energy: 1.4240231674435166
Energy: 1.3569972125825984
Energy: 1.1682554188248748
Energy: 1.2534557683339882
Energy: 1.1682554188236536
Energy: 1.2534557683339882
Energy: 1.1682554188252816
Energy: 1.2534557683348024
Energy: 1.3726662906120826
Energy: 1.2717297957514886
Energy: 1.3726662906067915
Energy: 1.2717297957518954
Energy: 1.3726662906071982
Energy: 1.2717297957531164
Energy: 1.1934358753744732
Energy: 1.1569544788216382
Energy: 1.1934358753834278
Energy: 1.1569544788216382
Energy: 1.1934358753822067
Energy: 1.1569544788265222
Energy: 1.1510662754534462
Energy: 1.1841283374712566
Energy: 1.1510662754510042
Energy: 1.1841283374696283
Energy: 1.1510662754522254
Energy: 1.1841283374700353
Energy: 1.1801990581614514
Energy: 1.1591140478092845
Energy: 1.1801990581618584
Energy: 1.1591140478080635
Energy: 1.1801990581634867
Energy: 1.1591140478088775
Energy: 1.2420710301118578
Energy: 1.603073750356067
Energy: 1.2420710301106368
Energy: 1.6030737503581023
Energy: 1.2420710301118578
Energy: 1.603073750356881
Energy: 1.669465648277773
Energy: 1.1616745612345567
Energy: 1.6694656482789938
Energy: 1.1616745612321147
Energy: 1.6694656482781798
Energy: 1.1616745612284884
Energy: 1.140656693081701
Energy: 1.375649797417257
Energy: 1.140656693083736
Energy: 1.3756497974168496
Energy: 1.140656693083736
Energy: 1.3756497974164428
Energy: 1.1679566529388932
Energy: 1.2414643414365656
Energy: 1.1679566529393002
Energy: 1.241464341432088
Energy: 1.1679566529380792
Energy: 1.2414643414341233
Energy: 1.4030726941951508
Energy: 1.1746583844397742
Energy: 1.403072694196372
Energy: 1.1746583844409952
Energy: 1.4030726941959648
Energy: 1.1746583844405882
Energy: 1.2031775123347521
Energy: 1.1537398502099985
Energy: 1.2031775123343453
Energy: 1.1537398502051144
Energy: 1.2031775123351593
Energy: 1.1537398502071494
Energy: 1.1788265425222755
Energy: 1.1560356005049912
Energy: 1.1788265425234967
Energy: 1.1560356005037704
Energy: 1.1788265425218685
Energy: 1.1560356005070265
Energy: 1.1296718487742954
Energy: 1.5915116990336118
Energy: 1.1296718487706323
Energy: 1.5915116990067486
Energy: 1.1296718487718536
Energy: 1.5915116990128537
Energy: 1.6399453406927367
Energy: 1.129107710783231
Energy: 1.6399453406894804
Energy: 1.129107710784859
Energy: 1.6399453407049471
Energy: 1.129107710783231
Energy: 1.5465578200208556
Energy: 1.182472634957699
Energy: 1.5465578200204484
Energy: 1.182472634958106
Energy: 1.5465578200208556
Energy: 1.182472634959327
Energy: 1.6399028996076082
Energy: 1.3337520430359027
Energy: 1.6399028996088294
Energy: 1.3337520430359027
Energy: 1.6399028995970257
Energy: 1.3337520430354954
Energy: 1.1291258517475313
Energy: 1.607162327008597
Energy: 1.1291258517491596
Energy: 1.607162327009411
Energy: 1.1291258517507874
Energy: 1.607162327009411
Energy: 1.1787411214071888
Energy: 1.1561484256661796
Energy: 1.1787411214080028
Energy: 1.1561484256645516
Energy: 1.1787411214075956
Energy: 1.1561484256653656
Energy: 1.2031200486627072
Energy: 1.153408273559301
Energy: 1.2031200486627072
Energy: 1.1534082735654063
Energy: 1.2031200486627072
Energy: 1.1534082735641853

minimum gb energy = 1.129107710783231 eV
minimum distance =  2.33099619767581 Angstroms
sigma value = 57


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

Energy: 0.6020479870089587
Energy: 0.611760833869846
Energy: 0.6020479870080322
Energy: 0.6117608338670665
Energy: 0.6020479870089587
Energy: 0.6117608338661399
Energy: 0.7076786813041673
Energy: 0.6118829429740509
Energy: 0.7076786813013878
Energy: 0.6118829429740509
Energy: 0.7076786813004612
Energy: 0.6118829429749775
Energy: 0.650156898968562
Energy: 0.6995962181479316
Energy: 0.650156898968562
Energy: 0.6995962181479316
Energy: 0.6501568989694886
Energy: 0.6995962181470049
Energy: 0.6143036505646468
Energy: 0.6017273765734211
Energy: 0.6143036505627938
Energy: 0.6017273765706416
Energy: 0.6143036505618672
Energy: 0.6017273765715679
Energy: 0.7084988828382982
Energy: 0.708165951308632
Energy: 0.7084988828373717
Energy: 0.708165951304926
Energy: 0.7084988828382982
Energy: 0.7081659513077055
Energy: 0.6019639777091507
Energy: 0.6509475745617863
Energy: 0.6019639777082242
Energy: 0.6509475745608597
Energy: 0.6019639777082242
Energy: 0.6509475745608597
Energy: 0.6019587944723457
Energy: 0.651084421181408
Energy: 0.6019587944704926
Energy: 0.6510844211832609
Energy: 0.6019587944714191
Energy: 0.6510844211860406
Energy: 0.7083270160693999
Energy: 0.7086619446038364
Energy: 0.7083270160684734
Energy: 0.708661944604763
Energy: 0.7083270160675469
Energy: 0.7086619446038364
Energy: 0.6142924877490131
Energy: 0.6017176316428093
Energy: 0.6142924877508662
Energy: 0.6017176316455889
Energy: 0.6142924877462336
Energy: 0.6017176316437358
Energy: 0.6495317664751984
Energy: 0.6996667412525809
Energy: 0.6495317664733454
Energy: 0.6996667412525809
Energy: 0.6495317664733454
Energy: 0.6996667412525809
Energy: 0.7071477571229208
Energy: 0.6119141132806186
Energy: 0.7071477571238474
Energy: 0.6119141132806186
Energy: 0.7071477571229208
Energy: 0.6119141132815453
Energy: 0.6020479870080322
Energy: 0.6117608338652134
Energy: 0.6020479870080322
Energy: 0.6117608338633603
Energy: 0.6020479870080322
Energy: 0.6117608338689194
Energy: 0.7076786813050938
Energy: 0.6118829429703448
Energy: 0.7076786813023143
Energy: 0.6118829429694183
Energy: 0.7076786813013878
Energy: 0.6118829429694183
Energy: 0.650156898968562
Energy: 0.6995962181479316
Energy: 0.650156898968562
Energy: 0.6995962181470049
Energy: 0.6501568989676355
Energy: 0.6995962181470049
Energy: 0.6143036505627938
Energy: 0.6017273765724945
Energy: 0.6143036505581613
Energy: 0.601727376569715
Energy: 0.6143036505609408
Energy: 0.6017273765724945
Energy: 0.7084988828382982
Energy: 0.7081659513077055
Energy: 0.7084988828373717
Energy: 0.7081659513104851
Energy: 0.7084988828373717
Energy: 0.708165951308632
Energy: 0.6019639777072976
Energy: 0.6509475745627128
Energy: 0.6019639777072976
Energy: 0.6509475745617863
Energy: 0.6019639777072976
Energy: 0.6509475745617863
Energy: 0.6019587944714191
Energy: 0.6510844211832609
Energy: 0.6019587944714191
Energy: 0.6510844211823346
Energy: 0.6019587944704926
Energy: 0.6510844211823346
Energy: 0.7083270160684734
Energy: 0.708661944604763
Energy: 0.7083270160684734
Energy: 0.7086619446010568
Energy: 0.7083270160693999
Energy: 0.7086619446038364

minimum gb energy = 0.6017176316428093 eV
minimum distance =  2.45984043353314 Angstroms
sigma value = 11


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

Energy: 1.2608820849849187
Energy: 1.1564841022141625
Energy: 1.260882084986276
Energy: 1.156484102213484
Energy: 1.2608820849849187
Energy: 1.156484102214841
Energy: 1.3401229934234213
Energy: 1.1159436168224852
Energy: 1.3401229934234213
Energy: 1.1159436168231638
Energy: 1.3401229934220638
Energy: 1.1159436168238428
Energy: 1.1587561756697986
Energy: 1.5306406893178912
Energy: 1.1587561756697986
Energy: 1.5306406893131403
Energy: 1.158756175668441
Energy: 1.5306406893178912
Energy: 1.375909648071914
Energy: 1.1197817274120252
Energy: 1.375909648071914
Energy: 1.1197817274106678
Energy: 1.3759096480725925
Energy: 1.1197817274120252
Energy: 1.1433583327354342
Energy: 0.8690323838290586
Energy: 1.1433583327367913
Energy: 0.8690323838283798
Energy: 1.1433583327354342
Energy: 0.8690323838277011
Energy: 1.2293818129407124
Energy: 1.224233747112107
Energy: 1.2293818129413911
Energy: 1.2242337471114282
Energy: 1.2293818129407124
Energy: 1.2242337471127858
Energy: 0.8317368175970652
Energy: 1.3616706922928392
Energy: 0.8317368175984226
Energy: 1.3616706922975903
Energy: 0.8317368175943504
Energy: 1.361670692293518
Energy: 1.2967370155801072
Energy: 0.8420048368042327
Energy: 1.2967370155814646
Energy: 0.8420048368042327
Energy: 1.296737015580786
Energy: 0.8420048368062687
Energy: 1.158665549142952
Energy: 0.8552869204426569
Energy: 1.1586655491436306
Energy: 0.8552869204426569
Energy: 1.1586655491443094
Energy: 0.8552869204426569
Energy: 0.8335466836664601
Energy: 1.4125173062872345
Energy: 0.8335466836684962
Energy: 1.412517306287913
Energy: 0.8335466836698535
Energy: 1.4125173062885916
Energy: 1.2685043842735915
Energy: 1.398926141350074
Energy: 1.2685043842668047
Energy: 1.398926141350074
Energy: 1.2685043842708768
Energy: 1.3989261413493954
Energy: 1.1408230891049784
Energy: 0.9633543166762185
Energy: 1.1408230891036208
Energy: 0.9633543166768971
Energy: 1.1408230891056572
Energy: 0.9633543166768971
Energy: 1.1690948013697826
Energy: 1.12491258010234
Energy: 1.1690948013697826
Energy: 1.1249125801009823
Energy: 1.1690948013684255
Energy: 1.1249125801009823
Energy: 1.33683356663631
Energy: 1.4394352757927442
Energy: 1.3368335666376674
Energy: 1.439435275793423
Energy: 1.3368335666369888
Energy: 1.4394352757961375
Energy: 1.3949232624622798
Energy: 1.1228182615986355
Energy: 1.3949232624656736
Energy: 1.122818261597957
Energy: 1.3949232624649948
Energy: 1.122818261597957
Energy: 1.2622209074012833
Energy: 1.154121714568942
Energy: 1.2622209074012833
Energy: 1.154121714570299
Energy: 1.2622209074026407
Energy: 1.1541217145723353
Energy: 1.011476653516907
Energy: 1.1138132981031383
Energy: 1.011476653514871
Energy: 1.1138132981031383
Energy: 1.0114766535141924
Energy: 1.1138132981024595
Energy: 1.4956886182020515
Energy: 1.715667833338905
Energy: 1.4956886182020515
Energy: 1.715667833338905
Energy: 1.4956886182020515
Energy: 1.7156678333402624
Energy: 1.3840660668091256
Energy: 1.0681190940983565
Energy: 1.3840660668077682
Energy: 1.0681190940997138
Energy: 1.3840660668077682
Energy: 1.068119094097678
Energy: 1.145113414386113
Energy: 1.0140091148150046
Energy: 1.1451134143874706
Energy: 1.0140091148150046
Energy: 1.1451134143847557
Energy: 1.0140091148156833
Energy: 0.8665830551319625
Energy: 1.1858557620559365
Energy: 0.8665830551346771
Energy: 1.1858557620539003
Energy: 0.8665830551353558
Energy: 1.185855762054579
Energy: 1.2457433043093944
Energy: 1.395977441436274
Energy: 1.2457433043087156
Energy: 1.3959774414355952
Energy: 1.2457433043087156
Energy: 1.3959774414369528
Energy: 1.298725706962873
Energy: 1.2050552985402043
Energy: 1.298725706962873
Energy: 1.2050552985395255
Energy: 1.298725706962873
Energy: 1.2050552985422407
Energy: 1.1603609292063828
Energy: 0.9976265219605223
Energy: 1.1603609292063828
Energy: 0.9976265219605223
Energy: 1.1603609292077404
Energy: 0.9976265219618798
Energy: 0.8661357449362189
Energy: 1.4190240189001555
Energy: 0.8661357449348616
Energy: 1.419024018898798
Energy: 0.8661357449328254
Energy: 1.4190240189021917
Energy: 1.7084218504267303
Energy: 1.4037960391778006
Energy: 1.7084218504328386
Energy: 1.4037960391778006
Energy: 1.7084218504375897
Energy: 1.4037960391778006

minimum gb energy = 0.8317368175943504 eV
minimum distance =  2.35500466899666 Angstroms
sigma value = 41


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

Energy: 1.4969960833543037
Energy: 1.1010871517610714
Energy: 1.4969960833543037
Energy: 1.1010871517616063
Energy: 1.4969960833543037
Energy: 1.1010871517610714
Energy: 1.463027292694662
Energy: 1.3144209432735048
Energy: 1.4630272926968015
Energy: 1.3144209432735048
Energy: 1.463027292694127
Energy: 1.31442094327404
Energy: 1.620556117840807
Energy: 1.7810796698849227
Energy: 1.6205561178418766
Energy: 1.7810796698859923
Energy: 1.6205561178418766
Energy: 1.7810796698849227
Energy: 1.231874175777729
Energy: 1.0451283722518083
Energy: 1.2318741757750542
Energy: 1.0451283722512736
Energy: 1.2318741757814733
Energy: 1.0451283722523432
Energy: 0.9050416129517272
Energy: 1.080137838849309
Energy: 0.9050416129511925
Energy: 1.080137838849309
Energy: 0.9050416129511925
Energy: 1.0801378388477045
Energy: 1.1601400517775884
Energy: 1.4768632325555928
Energy: 1.1601400517711693
Energy: 1.4768632325555928
Energy: 1.160140051767425
Energy: 1.4768632325555928
Energy: 0.8844238745250474
Energy: 1.5941332945865125
Energy: 0.8844238745255824
Energy: 1.5941332945875821
Energy: 0.8844238745293269
Energy: 1.594133294588117
Energy: 0.8983893016758898
Energy: 1.0454652938752578
Energy: 0.898389301674285
Energy: 1.0454652938757927
Energy: 0.8983893016764246
Energy: 1.0454652938763278
Energy: 0.9118224499074461
Energy: 1.1494870107280608
Energy: 0.9118224499069113
Energy: 1.149487010726991
Energy: 0.9118224499063763
Energy: 1.1494870107264563
Energy: 0.9407785932614098
Energy: 1.6062409758595608
Energy: 0.9407785932699687
Energy: 1.606240975859026
Energy: 0.9407785932587351
Energy: 1.606240975859026
Energy: 1.212909235670615
Energy: 1.6560966070863863
Energy: 1.2129092356669193
Energy: 1.6560966070858514
Energy: 1.2129092356642446
Energy: 1.6560966070863863
Energy: 1.1085127987583803
Energy: 1.2107652374084137
Energy: 1.10851279875945
Energy: 1.2107652374078788
Energy: 1.1085127987605201
Energy: 1.2107652374089484
Energy: 0.9263983048840023
Energy: 1.0098834213798713
Energy: 0.9263983048834674
Energy: 1.0098834213771968
Energy: 0.9263983048845372
Energy: 1.0098834213777317
Energy: 0.857761092719448
Energy: 1.4634157227958833
Energy: 0.857761092719448
Energy: 1.4634157227974882
Energy: 0.8577610927189131
Energy: 1.4634157227964184
Energy: 1.4414858148274767
Energy: 1.479000779334839
Energy: 1.4414858148280116
Energy: 1.479000779334839
Energy: 1.4414858148280116
Energy: 1.479000779334839
Energy: 0.9034358687341454
Energy: 1.1432413715871632
Energy: 0.9034358687336103
Energy: 1.143241371588768
Energy: 0.9034358687336103
Energy: 1.143241371588768
Energy: 0.9357885368044957
Energy: 1.0093977742637732
Energy: 0.9357885368050307
Energy: 1.0093977742632383
Energy: 0.9357885368061005
Energy: 1.009397774264308
Energy: 1.35850270066926
Energy: 1.7618994454755001
Energy: 1.35850270066926
Energy: 1.76189944547657
Energy: 1.358502700669795
Energy: 1.761899445477105
Energy: 1.4616760638921935
Energy: 1.3147899336917586
Energy: 1.4616760638916584
Energy: 1.3147899336912237
Energy: 1.4616760638932633
Energy: 1.3147899336917586
Energy: 1.130761542305479
Energy: 1.3604071828166664
Energy: 1.1307615423022694
Energy: 1.3604071828166664
Energy: 1.1307615423038744
Energy: 1.3604071828166664
Energy: 0.9216371562788848
Energy: 1.3514055128082805
Energy: 0.9216371562783497
Energy: 1.3514055128088156
Energy: 0.9216371562783497
Energy: 1.3514055128088156
Energy: 1.5892784875969188
Energy: 1.5844672688239376
Energy: 1.5892784875969188
Energy: 1.5844672688244725
Energy: 1.5892784875974537
Energy: 1.5844672688255426
Energy: 1.2114042457711112
Energy: 0.9419660974161683
Energy: 1.2114042457705763
Energy: 0.9419660974167033
Energy: 1.2114042457700414
Energy: 0.9419660974134937
Energy: 0.903585019233154
Energy: 1.3690804272586785
Energy: 0.9035850192320842
Energy: 1.3690804272586785
Energy: 0.903585019233154
Energy: 1.3690804272586785
Energy: 0.8952065965913208
Energy: 1.5681337170818161
Energy: 0.8952065965918556
Energy: 1.5681337170818161
Energy: 0.8952065965913208
Energy: 1.5681337170823513
Energy: 0.8835951468117541
Energy: 0.8820491696964095
Energy: 0.8835951468160333
Energy: 0.8820491696953396
Energy: 0.8835951468144287
Energy: 0.8820491696953396
Energy: 0.881231849631963
Energy: 1.0510799910849717
Energy: 0.881231849631428
Energy: 1.0510799910849717
Energy: 0.8812318496303582
Energy: 1.0510799910860413
Energy: 0.8967000516739769
Energy: 1.3531767673620294
Energy: 0.8967000516755818
Energy: 1.3531767673614945
Energy: 0.8967000516745119
Energy: 1.3531767673620294
Energy: 1.3143909874195658
Energy: 1.360556222765171
Energy: 1.3143909874201012
Energy: 1.360556222765171
Energy: 1.3143909874211708
Energy: 1.360556222765171
Energy: 1.3684130664860936
Energy: 1.0530631254023932
Energy: 1.3684130655760345
Energy: 1.0530631254018585
Energy: 1.3684130664684409
Energy: 1.0530631254029283
Energy: 1.0789648766365365
Energy: 1.1179377585519479
Energy: 1.0789648766370712
Energy: 1.1179377585524826
Energy: 1.0789648766365365
Energy: 1.1179377585524826
Energy: 0.9605478539869184
Energy: 0.9309873128597341
Energy: 0.9605478539858486
Energy: 0.9309873128581782
Energy: 0.9605478539874533
Energy: 0.9309873128602691
Energy: 0.8566468709691658
Energy: 1.1588721278089942
Energy: 0.8566468709686308
Energy: 1.1588721278089942
Energy: 0.856646870968096
Energy: 1.1588721278089942

minimum gb energy = 0.856646870968096 eV
minimum distance =  2.39036380541405 Angstroms
sigma value = 33


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

Energy: 1.1993300735730072
Energy: 0.9557625780080373
Energy: 1.1993300735734167
Energy: 0.9557625780125423
Energy: 1.1993300735752597
Energy: 0.955762578009539
Energy: 1.7869178483612662
Energy: 0.9190228100357379
Energy: 1.7869178483620172
Energy: 0.9190228100357379
Energy: 1.7869178483624264
Energy: 0.9190228100345775
Energy: 1.7427955972725186
Energy: 1.9982497978898726
Energy: 1.74279559727286
Energy: 1.9982497978895313
Energy: 1.742795597272109
Energy: 1.9982497978891218
Energy: 1.2703748792068026
Energy: 1.0376130308269256
Energy: 1.2703748792101475
Energy: 1.0376130308254923
Energy: 1.270374879210898
Energy: 1.0376130308265843
Energy: 0.9753993615844833
Energy: 1.6059455573642551
Energy: 0.9753993615844833
Energy: 1.605945557363095
Energy: 0.9753993615840737
Energy: 1.6059455573638455
Energy: 1.4236852334022614
Energy: 1.2205398432400416
Energy: 1.4236852334011696
Energy: 1.2205398432407923
Energy: 1.4236852334004184
Energy: 1.2205398432400416
Energy: 1.1165312248523733
Energy: 1.3665183357785877
Energy: 1.1165312248497796
Energy: 1.3665183357778368
Energy: 1.1165312248535337
Energy: 1.3665183357729223
Energy: 1.1033779937977621
Energy: 1.09314361578607
Energy: 1.1033779938060213
Energy: 1.0931436157864114
Energy: 1.1033779938007655
Energy: 1.0931436157883225
Energy: 1.6013656810061816
Energy: 1.0252792055893083
Energy: 1.6013656810069326
Energy: 1.0252792055956566
Energy: 1.6013656810065229
Energy: 1.0252792055904003
Energy: 2.002959173175951
Energy: 0.9214351440693452
Energy: 2.0029591731763605
Energy: 0.9214351440696863
Energy: 2.002959173177112
Energy: 0.9214351440719388
Energy: 1.0937982035095541
Energy: 1.3074894988318861
Energy: 1.0937982035076432
Energy: 1.3074894988251287
Energy: 1.0937982035068923
Energy: 1.3074894988296335
Energy: 1.6321822213000872
Energy: 0.9523337331696843
Energy: 1.6321822213000872
Energy: 0.9523337331700256
Energy: 1.6321822213008377
Energy: 0.952333733167773
Energy: 1.0236882105265577
Energy: 1.5968820637229544
Energy: 1.023688210531404
Energy: 1.5968820637237053
Energy: 1.0236882105253973
Energy: 1.5968820637217942
Energy: 0.9503938788091043
Energy: 0.9557658449202553
Energy: 0.9503938788061009
Energy: 0.9557658449228491
Energy: 0.950393878809855
Energy: 0.955765844912747
Energy: 0.9434399768033034
Energy: 1.0718059311992663
Energy: 0.9434399768025525
Energy: 1.0718059312007677
Energy: 0.9434399768029621
Energy: 1.0718059312007677
Energy: 0.9811424652470244
Energy: 1.2902847393031192
Energy: 0.9811424652477754
Energy: 1.2902847393034604
Energy: 0.9811424652485261
Energy: 1.2902847393023684
Energy: 1.6183332922781193
Energy: 1.0470867841598992
Energy: 1.6183332922792795
Energy: 1.0470867841603086
Energy: 1.61833329227887
Energy: 1.0470867841621518
Energy: 1.0222977158979558
Energy: 1.2686588302506072
Energy: 1.022297715898297
Energy: 1.2686588302506072
Energy: 1.022297715898297
Energy: 1.2686588302517676
Energy: 2.0000111205672852
Energy: 1.2694912870971966
Energy: 2.000011120567695
Energy: 1.269491287096446
Energy: 2.000011120565033
Energy: 1.269491287094603
Energy: 1.6105971806655375
Energy: 1.0722795807450638
Energy: 1.6105971806617831
Energy: 1.0722795807458148
Energy: 1.610597180662534
Energy: 1.0722795807446543
Energy: 0.9664986041171022
Energy: 1.121083802318764
Energy: 0.9664986041118465
Energy: 1.121083802318764
Energy: 0.9664986041163515
Energy: 1.121083802315419
Energy: 0.8918936561463413
Energy: 1.5858730901881168
Energy: 0.8918936561475017
Energy: 1.5858730901937137
Energy: 0.8918936561482527
Energy: 1.5858730901877756
Energy: 1.5602233300879822
Energy: 1.4849872319493214
Energy: 1.5602233300868216
Energy: 1.4849872319485704
Energy: 1.5602233300849786
Energy: 1.4849872319493214
Energy: 0.9628861376180294
Energy: 1.4125523394316821
Energy: 0.9628861376424657
Energy: 1.4125523394320916
Energy: 0.9628861376255377
Energy: 1.4125523394320916
Energy: 1.5939726307320599
Energy: 0.9616434901638446
Energy: 1.5939726307328106
Energy: 0.9616434901630939
Energy: 1.5939726307339026
Energy: 0.9616434901615922
Energy: 1.2078567926528714
Energy: 1.7220385183401605
Energy: 1.20785679265253
Energy: 1.7220385183514229
Energy: 1.2078567926499364
Energy: 1.722038518340911
Energy: 1.595247434947641
Energy: 0.9033503767215614
Energy: 1.5952474349540573
Energy: 0.9033503767196501
Energy: 1.595247434958153
Energy: 0.9033503767223122
Energy: 1.1301584982107866
Energy: 0.971628377963668
Energy: 1.130158498204029
Energy: 0.9716283779614154
Energy: 1.1301584981998651
Energy: 0.9716283779655792
Energy: 1.2504685704375322
Energy: 1.5969350681204175
Energy: 1.250468570436372
Energy: 1.5969350681207586
Energy: 1.2504685704375322
Energy: 1.5969350681200079
Energy: 0.9180445464107019
Energy: 2.006906734175977
Energy: 0.9180445464107019
Energy: 2.0069067341763183
Energy: 0.9180445464102924
Energy: 2.006906734175977
Energy: 1.1676478048991263
Energy: 0.9091177800927728
Energy: 1.1676478048965324
Energy: 0.9091177800942746
Energy: 1.1676478049006278
Energy: 0.9091177800927728
Energy: 1.0615028564606084
Energy: 1.6163481762584335
Energy: 1.0615028564583557
Energy: 1.6163481762591845
Energy: 1.0615028564591067
Energy: 1.6163481762587748
Energy: 1.6095284879162348
Energy: 0.9823862897164095
Energy: 1.6095284879162348
Energy: 0.9823862897115632
Energy: 1.609528487916576
Energy: 0.9823862897138158
Energy: 0.9545225301790866
Energy: 0.9459135745732122
Energy: 0.9545225301670732
Energy: 0.9459135745724615
Energy: 0.9545225301745816
Energy: 0.9459135745724615
Energy: 1.1036522236870965
Energy: 0.9458192445584659
Energy: 1.1036522236950144
Energy: 0.9458192445528686
Energy: 1.1036522236968576
Energy: 0.945819244560377
Energy: 1.6099064666148952
Energy: 0.9805194226172887
Energy: 1.609906466615646
Energy: 0.9805194226124424
Energy: 1.609906466616397
Energy: 0.9805194226116917
Energy: 0.9667574796693703
Energy: 1.6161797283549033
Energy: 0.9667574796723737
Energy: 1.616179728354562
Energy: 0.966757479670872
Energy: 1.6161797283541524
Energy: 1.1674364243258968
Energy: 0.9086412117005455
Energy: 1.167436424325487
Energy: 0.9086412116994534
Energy: 1.167436424324395
Energy: 0.9086412116997946
Energy: 0.9179496059543543
Energy: 2.006770439450308
Energy: 0.9179496059543543
Energy: 2.006770439451059
Energy: 0.9179496059558561
Energy: 2.006770439451059
Energy: 1.2503792185704856
Energy: 1.5970308849581927
Energy: 1.2503792185719875
Energy: 1.5970308849581927
Energy: 1.2503792185704856
Energy: 1.5970308849581927
Energy: 1.2020337899368079
Energy: 0.9569862332831692
Energy: 1.2020337899345555
Energy: 0.9569862332873329
Energy: 1.2020337899364666
Energy: 0.9569862332689033
Energy: 1.5861118783523742
Energy: 0.9030425006309333
Energy: 1.5861118783557873
Energy: 0.9030425006305919
Energy: 1.586111878343023
Energy: 0.9030425006309333
Energy: 1.2078421517409779
Energy: 1.572258829828774
Energy: 1.2078421517413191
Energy: 1.5722588298272724
Energy: 1.2078421517413191
Energy: 1.5722588298283644
Energy: 1.5932977119561311
Energy: 0.9625748831841606
Energy: 1.5932977119557217
Energy: 0.9625748831826589
Energy: 1.5932977119561311
Energy: 0.9625748831826589
Energy: 0.9653955535681854
Energy: 1.4127691847741235
Energy: 0.9653955535633391
Energy: 1.4127691847741235
Energy: 0.9653955535633391
Energy: 1.4127691847741235
Energy: 1.561572835649381
Energy: 1.4851464657740452
Energy: 1.561572835647538
Energy: 1.4851464657717925
Energy: 1.5615728356486298
Energy: 1.4851464657732945
Energy: 0.8919316015107356
Energy: 1.5902381283682654
Energy: 0.8919316015095751
Energy: 1.5902381283671734
Energy: 0.8919316015107356
Energy: 1.5902381283649207

minimum gb energy = 0.8918936561463413 eV
minimum distance =  2.37610156379491 Angstroms
sigma value = 67


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

Energy: 1.0274548935088752
Energy: 0.9619388215026828
Energy: 1.0274548935086185
Energy: 0.9619388215026828
Energy: 1.0274548935088752
Energy: 0.9619388215026828
Energy: 1.2309371140063632
Energy: 0.9177454582719831
Energy: 1.2309371140065914
Energy: 0.917745458269474
Energy: 1.2309371140061065
Energy: 0.917745458269474
Energy: 1.1436722740427037
Energy: 2.282796405255566
Energy: 1.1436722740427037
Energy: 2.282796405256336
Energy: 1.1436722740427037
Energy: 2.2827964052570766
Energy: 1.2308688366437166
Energy: 0.9177468121986704
Energy: 1.2308688366429754
Energy: 0.9177468122011794
Energy: 1.230868836643232
Energy: 0.9177468121986704
Energy: 1.0274548935088752
Energy: 0.9619388215026828
Energy: 1.0274548935081338
Energy: 0.9619388215026828
Energy: 1.0274548935093886
Energy: 0.9619388215026828
Energy: 1.2309371140061065
Energy: 0.9177454582719831
Energy: 1.2309371140065914
Energy: 0.9177454582719831
Energy: 1.2309371140065914
Energy: 0.9177454582719831
Energy: 1.1436722740452128
Energy: 2.282796405256336
Energy: 1.1436722740427037
Energy: 2.282796405256336
Energy: 1.1436722740452128
Energy: 2.282796405256592

minimum gb energy = 0.917745458269474 eV
minimum distance =  2.4700516448933 Angstroms
sigma value = 3


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

Energy: 1.4587332560912967
Energy: 1.3944003610469153
Energy: 1.458733256094711
Energy: 1.3944003610469153
Energy: 1.4587332560810535
Energy: 1.3944003610469153
Energy: 1.2862564304939264
Energy: 1.2011579969054724
Energy: 1.2862564304939264
Energy: 1.2011579969054724
Energy: 1.286256430500755
Energy: 1.2011579969054724
Energy: 1.211908922144811
Energy: 1.7331156934204333
Energy: 1.211908922144811
Energy: 1.7331156934272622
Energy: 1.211908922144811
Energy: 1.7331156934272622
Energy: 1.4104872627667369
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Energy: 1.227025426591495
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Energy: 1.3157933136298046
Energy: 1.2308658171486955
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Energy: 1.5470248894102536
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Energy: 1.310141847912446
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Energy: 1.4395846754961577
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Energy: 1.376517421095784
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Energy: 1.7108036908019952
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Energy: 1.318475432372955
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Energy: 1.166744247013683
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Energy: 1.2134473384375988
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Energy: 1.2134473384239413
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Energy: 1.3459454535819873
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Energy: 1.3459454535854016
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Energy: 1.146055891269419
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Energy: 1.501560304839961
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Energy: 1.3823050689724052
Energy: 1.501560304839961
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Energy: 1.27114719011318
Energy: 1.5768026521543717
Energy: 1.27114719011318
Energy: 1.5768026521577858
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Energy: 1.3620449158311634
Energy: 1.2698593898817498
Energy: 1.3620449157970196
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Energy: 1.3620449157867764
Energy: 1.2485192197535757
Energy: 1.4829916314016403
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Energy: 1.2485192197569899
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Energy: 1.602727542841391
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Energy: 1.602727542841391
Energy: 1.3140538113277034
Energy: 0.9679578678938465
Energy: 1.4876605239495924
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Energy: 1.4876605239495924
Energy: 0.9679578678938465
Energy: 1.4876605239564211
Energy: 1.3627674490275887
Energy: 1.4509600511726215
Energy: 1.3627674490275887
Energy: 1.4509600511692071
Energy: 1.3627674490275887
Energy: 1.4509600511726215
Energy: 1.2325008903360382
Energy: 1.5200284352709248
Energy: 1.2325008903326238
Energy: 1.5200284352743392
Energy: 1.2325008903292096
Energy: 1.5200284352709248
Energy: 1.689833073273315
Energy: 1.1818324302121102
Energy: 1.689833073273315
Energy: 1.1818324302121102
Energy: 1.689833073273315
Energy: 1.1818324302086958
Energy: 1.238465305444857
Energy: 1.6308603714240166
Energy: 1.238465305444857
Energy: 1.6308603714206023
Energy: 1.238465305444857
Energy: 1.6308603714206023
Energy: 1.3512804061790766
Energy: 1.1663222128242408
Energy: 1.3512804061790766
Energy: 1.166322212817412
Energy: 1.3512804061790766
Energy: 1.1663222128276551
Energy: 1.477827938188801
Energy: 1.3117938332884092
Energy: 1.4778279381853867
Energy: 1.3117938332884092
Energy: 1.4778279381785582
Energy: 1.3117938332884092
Energy: 1.465064701275827
Energy: 1.4333802553372792
Energy: 1.465064701275827
Energy: 1.4333802553406934
Energy: 1.465064701272413
Energy: 1.4333802553406934
Energy: 1.175632218457776
Energy: 1.473487250070436
Energy: 1.175632218457776
Energy: 1.473487250070436
Energy: 1.175632218457776
Energy: 1.473487250070436
Energy: 1.2543834079216474
Energy: 1.2582573981345508
Energy: 1.2543834079420715
Energy: 1.2582573981345508
Energy: 1.2543834079216474
Energy: 1.2582573981345508
Energy: 1.232041880952645
Energy: 1.2585430568765839
Energy: 1.2320418809560594
Energy: 1.2585430568731695
Energy: 1.2320418809321587
Energy: 1.2585430568765839
Energy: 1.462827965587519
Energy: 1.5644667017006373
Energy: 1.462827965587519
Energy: 1.5644667017006373
Energy: 1.4628279655806902
Energy: 1.564466701697223
Energy: 1.3479531588072353
Energy: 1.4537836335617413
Energy: 1.3479531588072353
Energy: 1.4537836335719845
Energy: 1.3479531588072353
Energy: 1.4537836335617413

minimum gb energy = 0.9679578678938465 eV
minimum distance =  2.28474348902359 Angstroms
sigma value = 81


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

Energy: 1.4796398029594107
Energy: 1.2465878024390968
Energy: 1.1534606011802782
Energy: 1.2465878024395654
Energy: 1.4796398029594107
Energy: 1.246587802440034
Energy: 1.447477896937928
Energy: 1.3830169564157726
Energy: 1.447477896936522
Energy: 1.3830169564134296
Energy: 1.4474778969360536
Energy: 1.383016956415304
Energy: 1.3332142291154674
Energy: 1.4541595216073293
Energy: 1.3068679862453227
Energy: 1.4541595216077978
Energy: 1.3332142291159361
Energy: 1.4541595216059233
Energy: 1.2828036848757982
Energy: 1.784517999117499
Energy: 1.2828036848753295
Energy: 1.784517999117499
Energy: 1.282803684874861
Energy: 1.7845179991189046
Energy: 1.4817342584381676
Energy: 1.3746692811255163
Energy: 1.4817342584358246
Energy: 1.374669281128328
Energy: 1.4817342584372306
Energy: 1.374669281128328
Energy: 1.244471894420841
Energy: 1.1308399299047953
Energy: 1.2444718944213098
Energy: 1.1308399299043268
Energy: 1.2444718944227153
Energy: 1.1308399299043268
Energy: 1.1886184084901277
Energy: 1.5246727784846907
Energy: 1.1886184084868472
Energy: 1.5246727784846907
Energy: 1.1886184084887217
Energy: 1.5246727784837537
Energy: 1.3884323262376674
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Energy: 1.362870748286994
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Energy: 1.3884323262362612
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Energy: 1.4561044979876947
Energy: 1.540374117735673
Energy: 1.3143439847494545
Energy: 1.219346044559296
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Energy: 1.4588054526550895
Energy: 1.4944606738823718
Energy: 1.4588054526564955
Energy: 1.4944606738828405
Energy: 1.4588054526555583
Energy: 1.4944606738837776
Energy: 1.3797137043627088
Energy: 1.4146182667607186
Energy: 1.3797137043627088
Energy: 1.414618266763019
Energy: 1.3797137043627088
Energy: 1.4146182667607186
Energy: 1.5711820824716385
Energy: 1.356028016459763
Energy: 1.571182082472107
Energy: 1.3560280164578884
Energy: 1.5711820824711697
Energy: 1.3560280164607001
Energy: 1.3886366936694023
Energy: 1.2612916552786646
Energy: 1.3886366936712768
Energy: 1.261291655279602
Energy: 1.3886366936726826
Energy: 1.2612916552791333
Energy: 1.3802912011190283
Energy: 1.3043863387174013
Energy: 1.3802912011152795
Energy: 1.30438633871787
Energy: 1.3802912011138735
Energy: 1.3043863387159957
Energy: 1.0784828036747365
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Energy: 1.076509520468913
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Energy: 1.464253477470804
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Energy: 1.2982235891578637
Energy: 1.4551989627591149
Energy: 1.2982235891583322
Energy: 1.4551989627595834
Energy: 1.2982235891583322
Energy: 1.3738449016891283
Energy: 1.4831466278369743
Energy: 1.3738449016895968
Energy: 1.4831466278369743
Energy: 1.373844901688191
Energy: 1.483146627836037
Energy: 1.4363049831995849
Energy: 1.494382661745677
Energy: 1.4363049831995849
Energy: 1.494382661745677
Energy: 1.4363049831991164
Energy: 1.4943826617461458
Energy: 1.6045234202828398
Energy: 1.8059667431064563
Energy: 1.0825759457122681
Energy: 1.8059667431064563
Energy: 1.604523420285183
Energy: 1.8059667431073934
Energy: 1.8244460796354545
Energy: 1.5952355508780691
Energy: 1.6750438550578437
Energy: 1.5952355508780691
Energy: 1.8244460796354545
Energy: 1.5952355508785374
Energy: 1.6904789744634536
Energy: 1.6958495671017573
Energy: 1.6904789744629853
Energy: 1.6958495671017573
Energy: 1.6904789744634536
Energy: 1.6958495671017573
Energy: 1.3699770815842724
Energy: 1.3310595214768024
Energy: 1.3699770815814607
Energy: 1.3310595214805514
Energy: 1.3699770815842724
Energy: 1.3310595214777396
Energy: 1.449816590905817
Energy: 1.4814779233507502
Energy: 1.4498165909062857
Energy: 1.481477923351219
Energy: 1.4498165909076917
Energy: 1.481477923351219
Energy: 1.0460735468192854
Energy: 1.1836145930571842
Energy: 1.046073546819754
Energy: 1.1836145931541453
Energy: 1.046073546819754
Energy: 1.1836145932661022
Energy: 1.379672195983363
Energy: 1.304069359402234
Energy: 1.3796721959875806
Energy: 1.3040693594017654
Energy: 1.3796721959852376
Energy: 1.304069359403171
Energy: 1.4119234603567234
Energy: 1.4641508663214462
Energy: 1.41194661367542
Energy: 1.4641508663209777
Energy: 1.4119234603571922
Energy: 1.464150866318677
Energy: 1.305414409522091
Energy: 1.3234967760345104
Energy: 1.3054144095206852
Energy: 1.3234967760345104
Energy: 1.305414409521154
Energy: 1.3234967760354477
Energy: 1.7670253456373695
Energy: 1.4133592301076336
Energy: 1.7670253456350262
Energy: 1.4133592301347708
Energy: 1.7670253456350262
Energy: 1.413359230121181
Energy: 1.2986942245620887
Energy: 1.4896517230887711
Energy: 1.2986942245620887
Energy: 1.4896517230887711
Energy: 1.2986942245620887
Energy: 1.4896517230897086
Energy: 1.4281744663060352
Energy: 1.2817434728316075
Energy: 1.4278965806969215
Energy: 1.281743472831139
Energy: 1.4281744663060352
Energy: 1.2817434728306702
Energy: 1.6779375914731438
Energy: 1.2844087885442994
Energy: 1.6779306402523462
Energy: 1.284408788544768
Energy: 1.6779375914745496
Energy: 1.284408788548517
Energy: 1.1952325999285027
Energy: 1.5242741949992917
Energy: 1.1885914029584959
Energy: 1.5242741950021033
Energy: 1.1952325999289712
Energy: 1.524274195000229
Energy: 1.441974844990324
Energy: 1.3662025710565757
Energy: 1.44197484499173
Energy: 1.366202569290187
Energy: 1.441974844990324
Energy: 1.3662025625071654
Energy: 1.4101415875682588
Energy: 1.438951555680508
Energy: 1.4101415875701333
Energy: 1.4389515556809764
Energy: 1.4101415875677905
Energy: 1.4389515556809764
Energy: 1.6654467023740789
Energy: 1.5249357371264907
Energy: 1.6654467023736101
Energy: 1.5249357371260224
Energy: 1.6654467023740789
Energy: 1.5249357371260224

minimum gb energy = 1.0460735468192854 eV
minimum distance =  2.31849747179999 Angstroms
sigma value = 43


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

Energy: 1.7155287906124492
Energy: 1.4206750689302543
Energy: 1.715528790613601
Energy: 1.4206750689302543
Energy: 1.7155287906130252
Energy: 1.4206750689308298
Energy: 1.4336336810286627
Energy: 1.2207929440502066
Energy: 1.4336336810292383
Energy: 1.2207929440496308
Energy: 1.4336336810286627
Energy: 1.2207929440496308
Energy: 1.2940229493043747
Energy: 1.5930492329914043
Energy: 1.2777226728550313
Energy: 1.5930492329914043
Energy: 1.2940229493037991
Energy: 1.5930492329914043
Energy: 1.528121402403578
Energy: 1.2134663792518496
Energy: 1.5281214024030025
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Energy: 1.5281214024024268
Energy: 1.2134663792506986
Energy: 1.396540955440534
Energy: 1.4489638995471321
Energy: 1.3965409554411095
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Energy: 1.4489638995471321
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Energy: 1.3659228242300208
Energy: 1.3018591858214286
Energy: 1.365922824228294
Energy: 1.301859185823731
Energy: 1.365922824228294
Energy: 1.6095516226742772
Energy: 1.7268620769163314
Energy: 1.5666582880744235
Energy: 1.726862076915756
Energy: 1.6095516226748527
Energy: 1.7268620769163314
Energy: 1.4139354311987686
Energy: 1.302853618136421
Energy: 1.4139354311993446
Energy: 1.302853618135845
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Energy: 1.339318163315867
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Energy: 1.4488137910173728
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Energy: 1.5188628918136353
Energy: 1.2386625170203522
Energy: 1.5188628918130596
Energy: 1.2386625170215035
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Energy: 1.450639826261575
Energy: 1.4925362140963596
Energy: 1.4506398262598479
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Energy: 1.4506398262604234
Energy: 1.4925362140969352
Energy: 1.304273362692922
Energy: 1.3569943793425494
Energy: 1.304273362692922
Energy: 1.3569943793442762
Energy: 1.3042733626934975
Energy: 1.3569943793442762
Energy: 1.4687699993429681
Energy: 1.5524506277592327
Energy: 1.4687699993435437
Energy: 1.5524506277592327
Energy: 1.4687699993429681
Energy: 1.5524506277580816
Energy: 1.3136456757334978
Energy: 1.4544153923411944
Energy: 1.3136456757340733
Energy: 1.454415392338892
Energy: 1.3136456757340733
Energy: 1.4544153923383163
Energy: 1.4194709014348894
Energy: 1.3509460874819954
Energy: 1.419470901434314
Energy: 1.3509460874819954
Energy: 1.4194709014337383
Energy: 1.350946087480844
Energy: 1.4813147736681145
Energy: 1.4217781280053052
Energy: 1.4813147736686902
Energy: 1.4217781280053052
Energy: 1.4813147736681145
Energy: 1.4217781280053052
Energy: 1.4246910648769542
Energy: 1.4499026705217355
Energy: 1.4246910648769542
Energy: 1.4499026705217355
Energy: 1.4246910648763784
Energy: 1.4499026705223108
Energy: 1.727305562077482
Energy: 1.3386783624517051
Energy: 1.727305562077482
Energy: 1.3386783624563101
Energy: 1.727305562077482
Energy: 1.3386783624476757
Energy: 1.7285513744877352
Energy: 1.356306337851833
Energy: 1.7285513744883105
Energy: 1.356306337852984
Energy: 1.7285513744877352
Energy: 1.35630633785356
Energy: 1.5167514380289329
Energy: 1.4461485771814484
Energy: 1.5167514380277818
Energy: 1.446148577182024
Energy: 1.5167514380289329
Energy: 1.4461485771825997
Energy: 1.4273797632768555
Energy: 1.5134714809346324
Energy: 1.4273797632762801
Energy: 1.5134714809346324
Energy: 1.4273797632762801
Energy: 1.5134714809346324
Energy: 1.5051579727118143
Energy: 1.211366317803763
Energy: 1.5051579727118143
Energy: 1.2113663178020362
Energy: 1.5051579727118143
Energy: 1.211366317802612
Energy: 1.315942573506599
Energy: 1.4727214562226816
Energy: 1.315942573506599
Energy: 1.4727214562215303
Energy: 1.3159425735060235
Energy: 1.472721456222106
Energy: 1.4629204259502093
Energy: 1.6210853020129503
Energy: 1.4629204259513604
Energy: 1.6210853020141014
Energy: 1.4629204259502093
Energy: 1.6210853020129503
Energy: 1.3033759967863738
Energy: 1.294870754184024
Energy: 1.303375996785798
Energy: 1.294870754184024
Energy: 1.3033759967886762
Energy: 1.2948707541846
Energy: 1.7161324513688252
Energy: 1.3240594469760538
Energy: 1.7161324513682499
Energy: 1.3240594469754785
Energy: 1.7161324513682499
Energy: 1.3240594469754785
Energy: 1.240848754475436
Energy: 1.3449234606398153
Energy: 1.240848754475436
Energy: 1.3449234606403906
Energy: 1.2408487544760116
Energy: 1.3449234606409664
Energy: 1.4768667140283562
Energy: 1.3844791194528832
Energy: 1.4768667140283562
Energy: 1.3844791194528832
Energy: 1.4768667140289318
Energy: 1.3844791194528832
Energy: 1.3030599994942302
Energy: 1.2602875942538534
Energy: 1.303059999493079
Energy: 1.260287594245795
Energy: 1.3030599994948056
Energy: 1.2602875942538534
Energy: 1.7054398924425156
Energy: 1.5925261462785814
Energy: 1.7054398924425156
Energy: 1.5925261462785814
Energy: 1.7054398924425156
Energy: 1.5925261462780058
Energy: 1.3111967113934033
Energy: 1.363680268086888
Energy: 1.311196711392252
Energy: 1.363680268086888
Energy: 1.3111967113951302
Energy: 1.3636802680840099

minimum gb energy = 1.2113663178020362 eV
minimum distance =  2.29024674895658 Angstroms
sigma value = 57


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

Energy: 1.4955610430286568
Energy: 1.407877446992127
Energy: 1.4955610430286568
Energy: 1.407877446992127
Energy: 1.4955610430301474
Energy: 1.4078774469928723
Energy: 1.3226227785766782
Energy: 1.0942317767503127
Energy: 1.3226227785826405
Energy: 1.0942317767495673
Energy: 1.3226227785751878
Energy: 1.0942317767503127
Energy: 1.3290320301357201
Energy: 1.5952498102789403
Energy: 1.3290320301364653
Energy: 1.595249810279686
Energy: 1.3290320301364653
Energy: 1.595249810279686
Energy: 1.7539557320755184
Energy: 1.2586121190867876
Energy: 1.7539557320762635
Energy: 1.258612119085297
Energy: 1.7539557320762635
Energy: 1.2586121190838064
Energy: 1.6118126079150725
Energy: 1.4186387403881926
Energy: 1.6118126079135817
Energy: 1.4186387403874474
Energy: 1.6118126079135817
Energy: 1.4186387403881926
Energy: 1.3153096811648848
Energy: 1.2298874277386809
Energy: 1.3153096811648848
Energy: 1.2298874277312277
Energy: 1.3153096811641394
Energy: 1.229887427734209
Energy: 1.4679155923251246
Energy: 1.4333308702548946
Energy: 1.4679155923258698
Energy: 1.4333308702541494
Energy: 1.4679155923243792
Energy: 1.4333308702541494
Energy: 1.517463926142163
Energy: 1.2287341763009114
Energy: 1.5174639261414178
Energy: 1.2287341763009114
Energy: 1.5174639261414178
Energy: 1.2287341763009114
Energy: 1.2884235681001126
Energy: 1.3259040570093181
Energy: 1.288423568098622
Energy: 1.3259040570085727
Energy: 1.2884235681038392
Energy: 1.3259040570085727
Energy: 0.9507828418644286
Energy: 1.3377193054426817
Energy: 0.9507828418644286
Energy: 1.337719305441936
Energy: 0.950782841862938
Energy: 1.337719305441936
Energy: 1.0883298295163504
Energy: 1.4242037499575635
Energy: 1.088329829520077
Energy: 1.4242037499575635
Energy: 1.088329829520077
Energy: 1.4242037499583087
Energy: 1.4583308550119662
Energy: 1.4704900121728028
Energy: 1.4583308550127114
Energy: 1.470490012171312
Energy: 1.4583308550119662
Energy: 1.470490012171312
Energy: 1.1409456508626898
Energy: 1.3264468891882972
Energy: 1.1409456508619444
Energy: 1.3264468891882972
Energy: 1.1409456508634352
Energy: 1.3264468891882972
Energy: 1.6491100794789986
Energy: 1.1076010505473062
Energy: 1.6491100794782536
Energy: 1.1076010505480516
Energy: 1.6491100794789986
Energy: 1.1076010505473062
Energy: 1.3975867083620699
Energy: 1.248286591274895
Energy: 1.397586708361325
Energy: 1.248286591274895
Energy: 1.397586708361325
Energy: 1.2482865912741499
Energy: 1.4619589572366072
Energy: 1.4346138083722244
Energy: 1.4619589572380978
Energy: 1.4346138083722244
Energy: 1.4619589572373524
Energy: 1.4346138083722244
Energy: 0.9675158857291857
Energy: 1.1440255384785583
Energy: 0.9675158857291857
Energy: 1.1440255384845206
Energy: 0.967515885729931
Energy: 1.144025538480794
Energy: 1.3158451623776202
Energy: 1.1477102098722995
Energy: 1.3158451623783658
Energy: 1.147710209870809
Energy: 1.315845162376875
Energy: 1.1477102098715544
Energy: 0.9490458310013176
Energy: 1.1445124191186475
Energy: 0.9490458310005724
Energy: 1.1445124191179021
Energy: 0.9490458309968459
Energy: 1.1445124191201381
Energy: 1.4617207609803988
Energy: 1.4345874881592653
Energy: 1.461720760981144
Energy: 1.4345874881592653
Energy: 1.4617207609803988
Energy: 1.4345874881585197
Energy: 1.3978211945421175
Energy: 1.2483209537593647
Energy: 1.397821194542863
Energy: 1.2483209537616002
Energy: 1.3978211945421175
Energy: 1.2483209537608553
Energy: 1.3948690521812492
Energy: 1.0541255478790306
Energy: 1.3948690521775227
Energy: 1.0541255478790306
Energy: 1.3948690521819944
Energy: 1.0541255478797757
Energy: 1.141456403316224
Energy: 1.3267410428216613
Energy: 1.1414564033177144
Energy: 1.3267410428216613
Energy: 1.1414564033184598
Energy: 1.326741042820171
Energy: 1.4584166895613448
Energy: 1.4723753196540643
Energy: 1.4584166895605999
Energy: 1.4723753196540643
Energy: 1.4584166895598543
Energy: 1.472375319655555

minimum gb energy = 0.9490458309968459 eV
minimum distance =  2.3228757754306 Angstroms
sigma value = 17


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

Energy: 1.348707944326922
Energy: 0.9812766574531747
Energy: 1.3487079443237604
Energy: 0.9812766574531747
Energy: 1.3487079443258683
Energy: 0.9812766574531747
Energy: 1.1734282904859274
Energy: 1.2185284450170708
Energy: 1.1734282904859274
Energy: 1.2185284450191787
Energy: 1.1734282904869815
Energy: 1.2185284450191787
Energy: 1.278429129665302
Energy: 1.3485279130206096
Energy: 1.278429129665302
Energy: 1.3485279130195553
Energy: 1.278429129665302
Energy: 1.3485279130206096
Energy: 1.3079355667638037
Energy: 1.5304557291282144
Energy: 1.3079355667595878
Energy: 1.5304557291282144
Energy: 1.3079355667574797
Energy: 1.5304557291271603
Energy: 1.2601738400036764
Energy: 1.3841871334861038
Energy: 1.2601738400047306
Energy: 1.384187133487158
Energy: 1.2601738400047306
Energy: 1.3841871334861038
Energy: 1.221753011891998
Energy: 1.1638427512451668
Energy: 1.221753011891998
Energy: 1.1638427512451668
Energy: 1.221753011891998
Energy: 1.1638427512462206
Energy: 1.1861076946165596
Energy: 1.118696235505054
Energy: 1.186107694618668
Energy: 1.118696235505054
Energy: 1.186107694617614
Energy: 1.118696235504
Energy: 1.314735726836367
Energy: 1.4526521355189894
Energy: 1.314735726836367
Energy: 1.4526521355189894
Energy: 1.3147357268353128
Energy: 1.4526521355189894
Energy: 1.158831344738403
Energy: 1.3862293379850301
Energy: 1.158831344738403
Energy: 1.3862293379850301
Energy: 1.158831344738403
Energy: 1.386229337986084
Energy: 1.3631103747159796
Energy: 1.2176769917937866
Energy: 1.3631103747159796
Energy: 1.2176769917927328
Energy: 1.3631103747149258
Energy: 1.2176769917927328
Energy: 1.2376357878445061
Energy: 1.1177662179597894
Energy: 1.2376357878445061
Energy: 1.1177662179587355
Energy: 1.237635787843452
Energy: 1.1177662179597894
Energy: 1.31484343227144
Energy: 1.371469196680866
Energy: 1.31484343227144
Energy: 1.371469196680866
Energy: 1.3148434322672238
Energy: 1.371469196680866
Energy: 1.0835018807289813
Energy: 1.3576615500972478
Energy: 1.0835018807279275
Energy: 1.3576615500972478
Energy: 1.0835018807279275
Energy: 1.357661550096194
Energy: 1.1210996503933328
Energy: 1.1731882252016947
Energy: 1.1210996503922788
Energy: 1.1731882252016947
Energy: 1.1210996503933328
Energy: 1.1731882252027486
Energy: 1.2138729143561444
Energy: 1.2982236911185936
Energy: 1.2138729143550904
Energy: 1.2982236911185936
Energy: 1.2138729143550904
Energy: 1.2982236911185936
Energy: 1.3363876636826595
Energy: 1.608271444372643
Energy: 1.3363876636826595
Energy: 1.6082714443694806
Energy: 1.3363876636826595
Energy: 1.608271444372643
Energy: 1.0100812347980013
Energy: 1.1864890873751728
Energy: 1.0100812347958932
Energy: 1.1864890873751728
Energy: 1.0100812347958932
Energy: 1.1864890873741187

minimum gb energy = 0.9812766574531747 eV
minimum distance =  2.3397057886217 Angstroms
sigma value = 17


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

Energy: 1.2317776926389563
Energy: 0.8622901208544317
Energy: 1.2317776926405843
Energy: 0.8622901208507685
Energy: 1.2317776926405843
Energy: 0.8622901208515825
Energy: 1.1064326696801572
Energy: 1.0495125151072462
Energy: 1.1064326696809712
Energy: 1.049512515106025
Energy: 1.1064326696817852
Energy: 1.0495125151072462
Energy: 1.107533469899079
Energy: 1.0588094008846225
Energy: 1.107533469898672
Energy: 1.0588094008842157
Energy: 1.107533469897858
Energy: 1.0588094008862505
Energy: 1.199068396817146
Energy: 1.0409449518165554
Energy: 1.199068396813483
Energy: 1.0409449518161484
Energy: 1.199068396816332
Energy: 1.0409449518169624
Energy: 1.3800660467652657
Energy: 1.0571240174811412
Energy: 1.3800660467656725
Energy: 1.0571240174827692
Energy: 1.3800660467656725
Energy: 1.0571240174872094
Energy: 1.012908108498437
Energy: 1.105982673872172
Energy: 1.012908108498437
Energy: 1.105982673872172
Energy: 1.012908108498844
Energy: 1.105982673872172
Energy: 1.1378199647705745
Energy: 1.0605882151495665
Energy: 1.1378199647722025
Energy: 1.0605882151491595
Energy: 1.1378199647722025
Energy: 1.0605882151491595
Energy: 1.1983662304912688
Energy: 1.3151746746357798
Energy: 1.1983662304880127
Energy: 1.3151746746370008
Energy: 1.1983662304880127
Energy: 1.3151746746349655
Energy: 1.0770779153637422
Energy: 1.3685178017882689
Energy: 1.0770779153625212
Energy: 1.368517801789083
Energy: 1.077077915362114
Energy: 1.368517801789083
Energy: 1.1359008783364863
Energy: 0.9386116800244932
Energy: 1.1359008783364863
Energy: 0.9386116800244932
Energy: 1.1359008783360793
Energy: 0.9386116800241234
Energy: 1.2009622175682066
Energy: 1.1756304805492783
Energy: 1.2009622175682066
Energy: 1.1756304805500926
Energy: 1.2009622175690207
Energy: 1.1756304805513136
Energy: 1.1011207610998177
Energy: 1.2692200752073468
Energy: 1.1011207610998177
Energy: 1.2692200752057188
Energy: 1.1011207610994107
Energy: 1.2692200752069398
Energy: 1.1930758284505614
Energy: 1.0751102739111782
Energy: 1.1930758284513754
Energy: 1.0751102739111782
Energy: 1.1930758284517824
Energy: 1.0751102739128062
Energy: 1.1818283454371659
Energy: 1.044982319027479
Energy: 1.181828345438794
Energy: 1.044982319029107
Energy: 1.1818283454367589
Energy: 1.044982319027479
Energy: 1.1858896540239123
Energy: 1.3195257474626356
Energy: 1.1858896540230983
Energy: 1.319525747466706
Energy: 1.1858896540230983
Energy: 1.3195257474626356
Energy: 1.042932540155817
Energy: 1.1826232729716644
Energy: 1.0429325401550031
Energy: 1.1826232729696293
Energy: 1.0429325401550031
Energy: 1.182623272970036
Energy: 1.307645943805031
Energy: 0.9850601105096423
Energy: 1.307645943802996
Energy: 0.9850601105092353
Energy: 1.307645943804217
Energy: 0.9850601105088282
Energy: 1.2349066348915068
Energy: 1.1672583946445336
Energy: 1.2349066348910998
Energy: 1.1672583946445336
Energy: 1.2349066348915068
Energy: 1.1672583946449406
Energy: 1.1913431888950639
Energy: 1.054482685652502
Energy: 1.191343188893843
Energy: 1.0544826856553513
Energy: 1.1913431888942498
Energy: 1.0544826856537233
Energy: 1.0675580553641932
Energy: 0.9431087647661146
Energy: 1.067558055363379
Energy: 0.9431087647665216
Energy: 1.067558055362972
Energy: 0.9431087647669286
Energy: 1.191166354236772
Energy: 1.1470398536313924
Energy: 1.191166354235958
Energy: 1.1470398536322064
Energy: 1.191166354235958
Energy: 1.1470398536297643
Energy: 1.2351169025963349
Energy: 1.1671213065497295
Energy: 1.235116902595928
Energy: 1.1671213065493222
Energy: 1.235116902595928
Energy: 1.1671213065481012
Energy: 1.308354312977189
Energy: 0.9850700311670216
Energy: 1.3083543129775959
Energy: 0.9850700311662076
Energy: 1.3083543129767818
Energy: 0.9850700311674286
Energy: 1.0482039696385572
Energy: 1.2221389065876582
Energy: 1.0482039696418133
Energy: 1.222138906587251
Energy: 1.0482039696434415
Energy: 1.222138906588065
Energy: 1.187031443070081
Energy: 1.319638292868139
Energy: 1.187031443070081
Energy: 1.319638292867325
Energy: 1.187031443070081
Energy: 1.3196382928656967
Energy: 1.1826141394638814
Energy: 1.0449704173144545
Energy: 1.1826141394651026
Energy: 1.0449704173160825
Energy: 1.1826141394675447
Energy: 1.0449704173148613
Energy: 1.193270951871648
Energy: 1.0905106370764204
Energy: 1.193270951872055
Energy: 1.0905106370772342
Energy: 1.193270951871648
Energy: 1.0905106370776416
Energy: 1.1007538607712823
Energy: 1.268862808954643
Energy: 1.1007538607712823
Energy: 1.268862808955457
Energy: 1.1007538607712823
Energy: 1.2688628089574923
Energy: 1.2013673081299054
Energy: 1.1756397009852941
Energy: 1.2013673081311267
Energy: 1.1756397009848871
Energy: 1.2013673081258354
Energy: 1.1756397009852941
Energy: 1.1359015322742736
Energy: 0.9387905784206375
Energy: 1.1359015322742736
Energy: 0.9387905784206375
Energy: 1.1359015322738668
Energy: 0.9387905784206375
Energy: 1.0774158740401851
Energy: 1.3687903730132551
Energy: 1.0774158740401851
Energy: 1.3687903730140691
Energy: 1.0774158740409991
Energy: 1.3687903730140691
Energy: 1.1985827928988009
Energy: 1.3151507686660522
Energy: 1.198582792899615
Energy: 1.3151507686660522
Energy: 1.1985827928983939
Energy: 1.3151507686664594
Energy: 1.1373970621580594
Energy: 1.0611729041859832
Energy: 1.1373970621605014
Energy: 1.061172904184762
Energy: 1.1373970621592806
Energy: 1.0611729041892395
Energy: 1.013006244391141
Energy: 0.8536313411450026
Energy: 1.013006244391955
Energy: 0.8536313411462236
Energy: 1.013006244391548
Energy: 0.8536313411409323
Energy: 1.3799566553584433
Energy: 1.0575564901098593
Energy: 1.3799566553592573
Energy: 1.0575564901078243
Energy: 1.3799566553592573
Energy: 1.0575564901106733
Energy: 1.2016118580894029
Energy: 1.1464813172317412
Energy: 1.201611858093066
Energy: 1.146481317230113
Energy: 1.2016118580873676
Energy: 1.146481317229706
Energy: 1.1075463733444475
Energy: 1.0588599073078653
Energy: 1.1075463733440407
Energy: 1.0588599073082725
Energy: 1.1075463733444475
Energy: 1.0588599073103075
Energy: 1.1071442045476223
Energy: 1.0496687673803249
Energy: 1.1071442045516926
Energy: 1.049668767381546
Energy: 1.1071442045500643
Energy: 1.049668767381139
Energy: 1.231777692638549
Energy: 0.8622901208572809
Energy: 1.2317776926336648
Energy: 0.8622901208568738
Energy: 1.2317776926413984
Energy: 0.8622901208564668
Energy: 1.1064326696825992
Energy: 1.175198650334483
Energy: 1.1064326696825992
Energy: 1.1751986503308196
Energy: 1.1064326696834133
Energy: 1.1751986503316336
Energy: 1.107533469898672
Energy: 1.0588094008821805
Energy: 1.107533469899486
Energy: 1.0588094008825875
Energy: 1.107533469899486
Energy: 1.0588094008825875
Energy: 1.199068396815518
Energy: 0.9924563632206042
Energy: 1.199068396813483
Energy: 0.9924563632222323
Energy: 1.199068396816739
Energy: 0.9924563632214182
Energy: 1.3800660467673005
Energy: 1.0571240174738148
Energy: 1.3800660467664865
Energy: 1.0571240174721868
Energy: 1.3800660467656725
Energy: 1.0571240174709655

minimum gb energy = 0.8536313411409323 eV
minimum distance =  2.34508287403671 Angstroms
sigma value = 57


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

Energy: 1.123295233258082
Energy: 0.7882006066974414
Energy: 1.123295233254768
Energy: 0.7882006066947905
Energy: 1.123295233257419
Energy: 0.7882006066894887
Energy: 0.9963279746462093
Energy: 1.0347032038923103
Energy: 0.9963279746481977
Energy: 1.034703203890322
Energy: 0.9963279746488602
Energy: 1.0347032038896593
Energy: 1.0578022032876748
Energy: 0.960987195455019
Energy: 1.0578022032870122
Energy: 0.9609871954543564
Energy: 1.0578022032863494
Energy: 0.9609871954543564
Energy: 1.2174322281035224
Energy: 0.9243342720223571
Energy: 1.2174322280982204
Energy: 0.9243342720210316
Energy: 1.2174322281002086
Energy: 0.9243342720197062
Energy: 1.0406912084514888
Energy: 1.0538149701757387
Energy: 1.0406912084587787
Energy: 1.053814970175076
Energy: 1.0406912084468498
Energy: 1.053814970174413
Energy: 0.9544859845436809
Energy: 0.9122752308186365
Energy: 0.9544859845436809
Energy: 0.9122752308139974
Energy: 0.9544859845436809
Energy: 0.9122752308226127
Energy: 1.0907039670443768
Energy: 1.0230994209548674
Energy: 1.0907039670437142
Energy: 1.0230994209535422
Energy: 1.0907039670450396
Energy: 1.0230994209528792
Energy: 1.1050439556744303
Energy: 1.1709845341567147
Energy: 1.1050439556691287
Energy: 1.1709845341527385
Energy: 1.1050439556744303
Energy: 1.170984534156052
Energy: 0.9305711389631114
Energy: 0.9246287552819684
Energy: 0.9305711389617859
Energy: 0.9246287552832938
Energy: 0.9305711389624487
Energy: 0.9246287552885958
Energy: 0.9433681295099956
Energy: 0.9688408686453921
Energy: 0.9433681295013803
Energy: 0.9688408686447293
Energy: 0.9433681295060191
Energy: 0.9688408686447293
Energy: 1.0495820079407208
Energy: 1.2773329937060047
Energy: 1.0495820079413836
Energy: 1.2773329937079931
Energy: 1.0495820079446971
Energy: 1.2773329937060047
Energy: 0.9153922478736133
Energy: 1.1868558643985607
Energy: 0.9153922478729505
Energy: 1.1868558643992235
Energy: 0.9153922478729505
Energy: 1.1868558643992235
Energy: 0.9441176060674047
Energy: 1.0396213114397028
Energy: 0.9441176060634284
Energy: 1.03962131143904
Energy: 0.9441176060601147
Energy: 1.0396213114403656
Energy: 1.1039711744912122
Energy: 1.1435751900203466
Energy: 1.1039711744898868
Energy: 1.1435751900203466
Energy: 1.1039711744905494
Energy: 1.1435751900216722
Energy: 0.9588947998784462
Energy: 1.1429939061608019
Energy: 0.9588947998804342
Energy: 1.1429939061588137
Energy: 0.9588947998784462
Energy: 1.1429939061627903
Energy: 1.0470375847057045
Energy: 1.0446495252600856
Energy: 1.047037584706367
Energy: 1.044649525259423
Energy: 1.0470375847076925
Energy: 1.0446495252647248
Energy: 1.0891163948052571
Energy: 0.9554479384130088
Energy: 1.0891163948079083
Energy: 0.9554479384136715
Energy: 1.0891163948052571
Energy: 0.9554479384143343
Energy: 1.228306279965436
Energy: 1.1474425780049187
Energy: 1.228306279965436
Energy: 1.147442577994315
Energy: 1.2283062799634479
Energy: 1.1474425779969661
Energy: 0.9738427626729653
Energy: 1.0556482593622984
Energy: 0.973842762673628
Energy: 1.0556482593616356
Energy: 0.9738427626723027
Energy: 1.055648259362961
Energy: 1.1890628321124788
Energy: 0.9568359637792512
Energy: 1.1890628321124788
Energy: 0.9568359637785884
Energy: 1.189062832111816
Energy: 0.9568359637799139
Energy: 1.0536759918132779
Energy: 1.1754002418614755
Energy: 1.0536759918165914
Energy: 1.175400241860813
Energy: 1.0536759918139407
Energy: 1.1754002418614755
Energy: 0.8971062747769383
Energy: 0.9862970189523035
Energy: 0.8971062747776011
Energy: 0.9862970189516409
Energy: 0.8971062747829028
Energy: 0.9862970189450136
Energy: 0.9940582559368855
Energy: 0.9009088601239058
Energy: 0.9940582559375483
Energy: 0.9009088601245686
Energy: 0.9940582559375483
Energy: 0.9009088601245686
Energy: 1.0115389553978171
Energy: 1.2221626336790186
Energy: 1.0115389553991425
Energy: 1.2221626336796814
Energy: 1.0115389553998053
Energy: 1.2221626336796814
Energy: 1.228480586848946
Energy: 1.1323946898038328
Energy: 1.228480586848283
Energy: 1.1323946898025075
Energy: 1.228480586848283
Energy: 1.1323946898031703
Energy: 1.347877399116812
Energy: 0.8914994816294017
Energy: 1.3478773991161492
Energy: 0.8914994816300645
Energy: 1.3478773991181376
Energy: 0.8914994816300645
Energy: 0.898889220220689
Energy: 1.128616331820015
Energy: 0.8988892202193636
Energy: 1.1286163318186897
Energy: 0.898889220220689
Energy: 1.1286163318193523

minimum gb energy = 0.7882006066894887 eV
minimum distance =  2.35313876259364 Angstroms
sigma value = 43


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

Energy: 1.062510273345234
Energy: 0.7213578530121646
Energy: 1.062510273348614
Energy: 0.7213578530145789
Energy: 1.0625102733466827
Energy: 0.7213578530131304
Energy: 1.0088950700903223
Energy: 0.9065828838942377
Energy: 1.0088950700946682
Energy: 0.906582883893272
Energy: 1.0088950700951511
Energy: 0.9065828838927891
Energy: 0.9023463115464965
Energy: 0.9073811545963657
Energy: 0.9023463115464965
Energy: 0.9073811545963657
Energy: 0.9023463115431166
Energy: 0.907381154594917
Energy: 1.049978306546003
Energy: 0.851337465718252
Energy: 1.049978306546486
Energy: 0.8513374657240463
Energy: 1.0499783065445547
Energy: 0.8513374657254948
Energy: 0.9566243067931063
Energy: 0.8214566323924497
Energy: 0.9566243067892433
Energy: 0.8214566323953469
Energy: 0.9566243067892433
Energy: 0.8214566323934156
Energy: 0.8145459247631233
Energy: 0.935589531046692
Energy: 0.8145459247631233
Energy: 0.9355895310462093
Energy: 0.8145459247636061
Energy: 0.9355895310462093
Energy: 0.979249779251535
Energy: 0.8606003937611362
Energy: 0.9792497792539492
Energy: 0.8606003937582392
Energy: 0.9792497792520177
Energy: 0.8606003937601705
Energy: 1.1584497374595475
Energy: 1.0016509972800633
Energy: 1.1584497374600304
Energy: 1.001650997280546
Energy: 1.1584497374624447
Energy: 1.0016509972795804
Energy: 0.7598673619959655
Energy: 0.8306341093484743
Energy: 0.7598673619964484
Energy: 0.8306341093513715
Energy: 0.7598673619969313
Energy: 0.8306341093518543
Energy: 1.093661716827802
Energy: 0.8160950666477637
Energy: 1.0936617168287677
Energy: 0.8160950666472807
Energy: 1.093661716827319
Energy: 0.8160950666458321
Energy: 1.1019036901438113
Energy: 1.0310614551515573
Energy: 1.1019036901438113
Energy: 1.03106145515204
Energy: 1.1019036901428456
Energy: 1.0310614551515573
Energy: 0.8360797796167332
Energy: 0.8995439224718311
Energy: 0.8360797796181818
Energy: 0.8995439224718311
Energy: 0.8360797796172161
Energy: 0.8995439224771425
Energy: 0.8994539129204282
Energy: 0.7674683031543086
Energy: 0.8994539129155996
Energy: 0.7674683031528601
Energy: 0.8994539129204282
Energy: 0.7674683031533429
Energy: 0.9141351585275188
Energy: 0.8888584735177825
Energy: 0.9141351585275188
Energy: 0.8888584735182653
Energy: 0.9141351585275188
Energy: 0.8888584735182653
Energy: 0.8190559824887301
Energy: 1.0296185671765004
Energy: 0.8190559824882473
Energy: 1.0296185671760176
Energy: 0.8190559824887301
Energy: 1.0296185671755347
Energy: 0.9182166102427626
Energy: 0.8196030610235175
Energy: 0.9182166102446941
Energy: 0.8196030610235175
Energy: 0.9182166102417969
Energy: 0.8196030610240005
Energy: 1.0393142143423098
Energy: 0.8857892655443599
Energy: 1.0393142143432754
Energy: 0.8857892655443599
Energy: 1.0393142143423098
Energy: 0.8857892655453257
Energy: 0.7624706857943863
Energy: 0.9761779916371703
Energy: 0.7624706857943863
Energy: 0.9761779916376533
Energy: 0.7624706857943863
Energy: 0.9761779916376533
Energy: 0.8868422808162731
Energy: 0.8927116509350578
Energy: 0.8868422808143417
Energy: 0.892711650934092
Energy: 0.8868422808186873
Energy: 0.892711650934092
Energy: 1.062516394602445
Energy: 0.9502908033280278
Energy: 1.062516394602928
Energy: 0.9502908033251306
Energy: 1.0625163946019622
Energy: 0.9502908033362365
Energy: 0.8120144891122558
Energy: 1.0595414957810525
Energy: 0.8120144891137044
Energy: 1.059541495800367
Energy: 0.8120144891137044
Energy: 1.0595414957994012
Energy: 0.9643891956397118
Energy: 0.8829547924857711
Energy: 0.9643891956392291
Energy: 0.8829547924857711
Energy: 0.9643891956401948
Energy: 0.8829547924857711
Energy: 0.9822950354503546
Energy: 0.8186985778451069
Energy: 0.9822950354508375
Energy: 0.8186985778470383
Energy: 0.9822950354518032
Energy: 0.8186985778465555
Energy: 0.913510440622445
Energy: 0.9613791327598409
Energy: 0.9135104406209964
Energy: 0.9613791327694983
Energy: 0.9135104406214793
Energy: 0.9613791327608068
Energy: 0.8688658723070051
Energy: 0.7949006264739857
Energy: 0.8688658723055566
Energy: 0.7949006264739857
Energy: 0.8688658723060395
Energy: 0.7949006264744687
Energy: 0.8696934703056236
Energy: 0.830353514193491
Energy: 0.8696934703051407
Energy: 0.8303535141910767
Energy: 0.8696934703051407
Energy: 0.8303535141930082
Energy: 0.8525367480990056
Energy: 0.9209103168693216
Energy: 0.8525367480961085
Energy: 0.9209103168698044
Energy: 0.8525367481033513
Energy: 0.9209103168693216
Energy: 0.7661898933354977
Energy: 0.9643862839288719
Energy: 0.7661898933388778
Energy: 0.9643862839303206
Energy: 0.7661898933350149
Energy: 0.9643862839293548
Energy: 0.8611844298191375
Energy: 0.7626221429587898
Energy: 0.8611844298191375
Energy: 0.7626221429578242
Energy: 0.8611844298186545
Energy: 0.7626221429587898
Energy: 0.8180142467965485
Energy: 0.8989152166470451
Energy: 0.8180142467975143
Energy: 0.8989152166532784
Energy: 0.8180142467965485
Energy: 0.8989152166494595
Energy: 0.7601594469573574
Energy: 0.9779769765185731
Energy: 0.7601594469592888
Energy: 0.9779769765180902
Energy: 0.7644447561760505
Energy: 0.9779769765180902
Energy: 0.7822883013318876
Energy: 0.7119603016294471
Energy: 0.7822883013352677
Energy: 0.7119603016284815
Energy: 0.7822883013304391
Energy: 0.7119603016289643
Energy: 0.7746804786275722
Energy: 1.0116114487231036
Energy: 0.7746804786275722
Energy: 1.0116114487240693
Energy: 0.7746804786280551
Energy: 1.0116114487245522
Energy: 1.0033153061530489
Energy: 0.8798578519902877
Energy: 1.0033153061530489
Energy: 0.8798578519893219
Energy: 1.003315306152566
Energy: 0.8798578519893219
Energy: 0.7949900413123286
Energy: 0.7458445995670293
Energy: 0.7949900413258487
Energy: 0.7458445995670293
Energy: 0.7949900413142599
Energy: 0.7458445995665464
Energy: 0.6964685595825268
Energy: 0.8280251750080382
Energy: 0.696468559582044
Energy: 0.8280251750075555
Energy: 0.6964685595825268
Energy: 0.8280251750085211

minimum gb energy = 0.696468559582044 eV
minimum distance =  2.36485736257604 Angstroms
sigma value = 81


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

Energy: 0.007290646989352465
Energy: 0.04641186882051778
Energy: 0.007290646989352465
Energy: 0.046411868818743617
Energy: 0.007290646989352465
Energy: 0.04641186882051778
Energy: 0.8192749329649036
Energy: 0.12358893627032906
Energy: 0.8192749329649036
Energy: 0.12358893627032906
Energy: 0.8192749329631294
Energy: 0.12358893627032906
Energy: 0.8192729971310008
Energy: 0.12378459875076908
Energy: 0.8192729971292267
Energy: 0.12378459875076908
Energy: 0.8192729971327751
Energy: 0.12378459874899492
Energy: 0.007290646991126622
Energy: 0.046411868818743617
Energy: 0.007290646991126622
Energy: 0.04641186882051778
Energy: 0.007290646991126622
Energy: 0.04641186882051778
Energy: 0.8192749329631294
Energy: 0.12358893627210323
Energy: 0.8192749329649036
Energy: 0.12358893626855492
Energy: 0.8192749329613553
Energy: 0.12358893627032906
Energy: 0.8192729971310008
Energy: 0.12378459874899492
Energy: 0.8192729971310008
Energy: 0.12378459874899492
Energy: 0.8192729971310008
Energy: 0.12378459874899492
Energy: 0.007290646989352465
Energy: 0.04641186882051778
Energy: 0.007290646989352465
Energy: 0.046411868818743617
Energy: 0.007290646989352465
Energy: 0.04641186882051778
Energy: 0.8192749329649036
Energy: 0.12358893627032906
Energy: 0.8192749329631294
Energy: 0.12358893627210323
Energy: 0.8192749329631294
Energy: 0.12358893627032906
Energy: 0.8192729971327751
Energy: 0.12378459874899492
Energy: 0.8192729971310008
Energy: 0.12378459874899492
Energy: 0.8192729971310008
Energy: 0.12378459874899492
Energy: 0.007290646989352465
Energy: 0.04641186882051778
Energy: 0.007290646989352465
Energy: 0.046411868818743617
Energy: 0.007290646989352465
Energy: 0.046411868818743617

minimum gb energy = 0.007290646989352465 eV
minimum distance =  2.5302928615859 Angstroms
sigma value = 3


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

Energy: 0.8332065544825373
Energy: 0.8365564865487017
Energy: 0.8332065544804135
Energy: 0.8365564865444544
Energy: 0.8332065544814753
Energy: 0.8365564865481709
Energy: 0.6840229153867646
Energy: 0.8511399417710864
Energy: 0.6840229153841101
Energy: 0.8511399417705556
Energy: 0.6840229153862337
Energy: 0.8511399417700246
Energy: 0.8161508427656967
Energy: 0.8478334828319655
Energy: 0.8142145259324112
Energy: 0.8478334828314347
Energy: 0.8142145259361275
Energy: 0.8478334828324965
Energy: 0.7307483301642389
Energy: 0.8286620066814079
Energy: 0.730748330156806
Energy: 0.8286620066814079
Energy: 0.7307483301631771
Energy: 0.8286620066850761
Energy: 0.815201411982824
Energy: 0.9390562392407759
Energy: 0.8152014119817622
Energy: 0.9390562392413069
Energy: 0.8152014119833549
Energy: 0.9390562392418379
Energy: 0.8518034641717452
Energy: 0.9169501170552471
Energy: 0.8518034641706834
Energy: 0.9169501170552471
Energy: 0.8518034641706834
Energy: 0.9169501170557778
Energy: 0.7706284361697272
Energy: 0.8089882223545327
Energy: 0.7706284361718508
Energy: 0.8089882223540017
Energy: 0.7706284361723817
Energy: 0.8089882223550637
Energy: 0.8281015710398096
Energy: 0.8279662585485336
Energy: 0.8281015710403408
Energy: 0.8279662585554355
Energy: 0.8281015710403408
Energy: 0.8279662585464097
Energy: 0.8589041366993887
Energy: 0.8461192414299303
Energy: 0.8589041366993887
Energy: 0.8461192414299303
Energy: 0.8589041366988577
Energy: 0.8461192414288685
Energy: 0.785223130521848
Energy: 0.7433091307168173
Energy: 0.7852231305208345
Energy: 0.7433091307162863
Energy: 0.7852231305223788
Energy: 0.7433091307157553
Energy: 0.7964251898864805
Energy: 0.8122543559663595
Energy: 0.7964251898864805
Energy: 0.8122543559621122
Energy: 0.7964251898870114
Energy: 0.8122543559668907
Energy: 0.901062165373969
Energy: 0.8765054781909585
Energy: 0.901062165373438
Energy: 0.8765054781909585
Energy: 0.901062165373438
Energy: 0.8765054781914895
Energy: 0.9583554437875139
Energy: 0.7469333403508418
Energy: 0.9583554437848594
Energy: 0.7469333403503109
Energy: 0.9583554437875139
Energy: 0.7469333403508418
Energy: 0.7524680848760208
Energy: 0.7375195298093457
Energy: 0.7524680848765518
Energy: 0.7375195298088146
Energy: 0.7524680848754899
Energy: 0.7375195298066911
Energy: 0.823925159461422
Energy: 0.8740272176321668
Energy: 0.8239251594592981
Energy: 0.874027217630574
Energy: 0.8239251594608908
Energy: 0.874027217630574
Energy: 0.9454205699845774
Energy: 0.8034025135317002
Energy: 0.9454205699835155
Energy: 0.8034025135317002
Energy: 0.9454205699835155
Energy: 0.8034025135317002
Energy: 0.9572612932817728
Energy: 0.7706621562292761
Energy: 0.9572612932817728
Energy: 0.7706621562298069
Energy: 0.9572612932817728
Energy: 0.770662156230338
Energy: 0.8571145776659294
Energy: 0.7761855208776011
Energy: 0.857114577667522
Energy: 0.7761855208781319
Energy: 0.8571145776648673
Energy: 0.7761855208760565
Energy: 0.8457502285346792
Energy: 0.8927385622468617
Energy: 0.8457502285346792
Energy: 0.8927385622452689
Energy: 0.8457502285352101
Energy: 0.8927385622479236
Energy: 0.9734723731229408
Energy: 0.7705103657294498
Energy: 0.9734723731229408
Energy: 0.7705103657612568
Energy: 0.9734723731229408
Energy: 0.7705103658758874
Energy: 0.7867049401136819
Energy: 0.8026870332471512
Energy: 0.7867049401115581
Energy: 0.8026870332460891
Energy: 0.7867049401047045
Energy: 0.8026870332460891
Energy: 0.8917330373702083
Energy: 0.8763594429707574
Energy: 0.8917330373670227
Energy: 0.8763594429702263
Energy: 0.8917330373675537
Energy: 0.8763594429712881
Energy: 0.844832789623217
Energy: 0.8967872612542379
Energy: 0.844832789623217
Energy: 0.8967872612101715
Energy: 0.8448327896210933
Energy: 0.8967872612085788
Energy: 0.854544353373886
Energy: 0.6880316349206077
Energy: 0.8545443533744168
Energy: 0.6880316349227314
Energy: 0.854544353373886
Energy: 0.6880316349285716
Energy: 0.8681800746949463
Energy: 0.847481972302633
Energy: 0.8681800746954771
Energy: 0.8474819723021021
Energy: 0.8681800746960081
Energy: 0.8474819723021021
Energy: 0.7097731208112843
Energy: 0.8617666625653936
Energy: 0.7097731208096915
Energy: 0.8617666625648629
Energy: 0.7097731208096915
Energy: 0.8617666625648629
Energy: 0.9555278167243795
Energy: 0.8984795948253134
Energy: 0.9555278167243795
Energy: 0.8984795948263752
Energy: 0.9555278167238486
Energy: 0.8984795948258444
Energy: 0.7547142605411317
Energy: 0.8487797768563196
Energy: 0.7547142605427244
Energy: 0.8487797768568504
Energy: 0.7547142605432553
Energy: 0.8487797768541958
Energy: 0.6561681868037165
Energy: 0.962291141720225
Energy: 0.6561681868021236
Energy: 0.9622911417207559
Energy: 0.6561681868026547
Energy: 0.9622911417212868
Energy: 0.8198606666601742
Energy: 0.9036595521247435
Energy: 0.8198606666596434
Energy: 0.9036595521247435
Energy: 0.819860666661236
Energy: 0.9036595521242126
Energy: 0.684755118109428
Energy: 0.8540119502544767
Energy: 0.6847551181110206
Energy: 0.8540119502539458
Energy: 0.6847551181115517
Energy: 0.8540119502534149
Energy: 0.7286302524505025
Energy: 0.9174974982099603
Energy: 0.7286302524489097
Energy: 0.9174974982104913
Energy: 0.7286302524494406
Energy: 0.9174974982104913
Energy: 0.727285588090468
Energy: 0.9710850188875317
Energy: 0.7272855880872824
Energy: 0.9710850188875317
Energy: 0.7272855880909987
Energy: 0.9710850188870008

minimum gb energy = 0.6561681868021236 eV
minimum distance =  2.37716030057468 Angstroms
sigma value = 67


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

Energy: 0.8741673191244451
Energy: 1.152050624972825
Energy: 0.8741673191448706
Energy: 1.1520506249720686
Energy: 0.8741673191380621
Energy: 1.152050624972825
Energy: 0.879864245681523
Energy: 1.0432972150360793
Energy: 0.8798642456837924
Energy: 1.0432972150345663
Energy: 0.8798642456890879
Energy: 1.0432972150360793
Energy: 0.988492422389983
Energy: 1.0452373161851705
Energy: 0.9884924223877136
Energy: 1.0452373161851705
Energy: 0.9884924223839311
Energy: 1.0452373161859272
Energy: 1.0575823966934612
Energy: 0.9465201998225625
Energy: 1.0575823966934612
Energy: 0.946520199823319
Energy: 1.0575823966919482
Energy: 0.946520199821806
Energy: 1.0075404928000846
Energy: 0.9380978975802079
Energy: 1.0075404927993281
Energy: 0.9380978975794514
Energy: 1.0075404927993281
Energy: 0.9380978975817209
Energy: 1.0616624471860105
Energy: 1.0384319203880135
Energy: 1.061662447185254
Energy: 1.0384319203880135
Energy: 1.0616624471867673
Energy: 1.0384319203880135
Energy: 0.9672063973630468
Energy: 1.0033697264585142
Energy: 0.9672063973638033
Energy: 1.0033697264592707
Energy: 0.9672063973638033
Energy: 1.0033697264585142
Energy: 1.0683941525423324
Energy: 0.9813704697065193
Energy: 1.068394152544602
Energy: 0.9813704697110582
Energy: 1.068394152540063
Energy: 0.9813704697087888
Energy: 1.0645217071583908
Energy: 1.0020596981026568
Energy: 1.0645217071591475
Energy: 1.0020596981003873
Energy: 1.0645217071591475
Energy: 1.0020596981019003
Energy: 1.055527329188237
Energy: 1.0255028715864414
Energy: 1.055527329188237
Energy: 1.0255028715864414
Energy: 1.0555273291889935
Energy: 1.0255028715871979
Energy: 1.1599072466813305
Energy: 0.9110678633451289
Energy: 1.1599072466813305
Energy: 0.9110678633458854
Energy: 1.1599072466813305
Energy: 0.9110678633451289
Energy: 1.0147368922794118
Energy: 0.9814405262589428
Energy: 1.0147368922794118
Energy: 0.9814405262596995
Energy: 1.0147368922794118
Energy: 0.9814405262596995
Energy: 1.020557617377387
Energy: 0.9260000487121283
Energy: 1.0205576173781432
Energy: 0.9260000487128847
Energy: 1.0205576173781432
Energy: 0.9260000487121283
Energy: 1.1965920657297162
Energy: 0.8835523040965733
Energy: 1.1965920657312294
Energy: 0.8835523040988426
Energy: 1.1965920657312294
Energy: 0.8835523040988426
Energy: 1.0222333075882288
Energy: 0.8738161767919884
Energy: 1.0222333075882288
Energy: 0.873816176791232
Energy: 1.0222333075874726
Energy: 0.873816176791232
Energy: 0.9608985452691937
Energy: 1.0410960666918057
Energy: 0.9608985452691937
Energy: 1.0410960666887799
Energy: 0.9608985452699503
Energy: 1.0410960666910494
Energy: 1.053692507834943
Energy: 0.9576401186084872
Energy: 1.0536925078334298
Energy: 0.9576401186077306
Energy: 1.0536925078334298
Energy: 0.9576401186084872
Energy: 1.00100308902322
Energy: 0.8693689330444475
Energy: 1.00100308902322
Energy: 0.869368933045204
Energy: 1.0010030890224637
Energy: 0.869368933045204
Energy: 0.9220722686831337
Energy: 1.0801917413325237
Energy: 0.9220722686831337
Energy: 1.0801917413332802
Energy: 0.9220722686816208
Energy: 1.0801917413332802
Energy: 1.0808718185824664
Energy: 1.1709967340279916
Energy: 1.0808718185824664
Energy: 1.1709967340279916
Energy: 1.0808718185824664
Energy: 1.1709967340279916
Energy: 1.092877341052831
Energy: 1.0350481242049407
Energy: 1.092877341052831
Energy: 1.0350481242049407
Energy: 1.0928773410535872
Energy: 1.0350481242049407
Energy: 0.9591795294309635
Energy: 1.0999552614165649
Energy: 0.9591795294249114
Energy: 1.0999552614158083
Energy: 0.9591795294294505
Energy: 1.0999552614165649
Energy: 0.9364532252317509
Energy: 1.1769056791238572
Energy: 0.9364532252325075
Energy: 1.1769056791238572
Energy: 0.9364532252309944
Energy: 1.1769056791238572

minimum gb energy = 0.8693689330444475 eV
minimum distance =  2.377693156782 Angstroms
sigma value = 33


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

Energy: 1.0864053761944024
Energy: 1.275242721510369
Energy: 1.0864053761958419
Energy: 1.275242721510369
Energy: 1.0864053761948824
Energy: 1.2752427215089295
Energy: 1.0086303628484585
Energy: 1.1705174158540066
Energy: 1.0086303628470188
Energy: 1.1705174158535265
Energy: 1.0086303628474986
Energy: 1.1705174158535265
Energy: 1.1789113504456785
Energy: 1.1705484052225095
Energy: 1.1789113504447186
Energy: 1.1705484052225095
Energy: 1.1789113504447186
Energy: 1.1705484052225095
Energy: 1.2555299753434719
Energy: 1.0748229748371674
Energy: 1.2555299753434719
Energy: 1.0748229748371674
Energy: 1.255529975342992
Energy: 1.0748229748376472
Energy: 1.2276370340440155
Energy: 1.2884847170743046
Energy: 1.2276370340440155
Energy: 1.2884847170762244
Energy: 1.2276370340435356
Energy: 1.2884847170752647
Energy: 1.3043387675194489
Energy: 1.2290410717768183
Energy: 1.3043387675208886
Energy: 1.131847756991988
Energy: 1.3043387675194489
Energy: 1.131847756991988
Energy: 1.1981717481480456
Energy: 1.1576305521532535
Energy: 1.1981717481485255
Energy: 1.1576305521522934
Energy: 1.1981717481490053
Energy: 1.1576305521532535
Energy: 1.229951098930428
Energy: 0.912247452265387
Energy: 1.2299510989289884
Energy: 0.9122474522611114
Energy: 1.229951098930428
Energy: 0.9122474522625511
Energy: 1.0376550696991926
Energy: 1.0887823399967633
Energy: 1.037655069697753
Energy: 1.0887823399958034
Energy: 1.0376550696991926
Energy: 1.0887823399953236
Energy: 1.2728700526639285
Energy: 1.1253677384095078
Energy: 1.2728700526624888
Energy: 1.1253677384095078
Energy: 1.2728700526639285
Energy: 1.1253677384099876
Energy: 1.1401012032165576
Energy: 1.1048216361029823
Energy: 1.1401012032151179
Energy: 1.1048216361020229
Energy: 1.1401012032155977
Energy: 1.1048216361025025
Energy: 1.0369108706702177
Energy: 0.9723282903074594
Energy: 1.0369108706706975
Energy: 0.9723282903041
Energy: 1.0369108706706975
Energy: 0.9723282903069794
Energy: 1.1167786584488812
Energy: 1.1751264158143018
Energy: 1.1167786584474415
Energy: 1.1751264158152617
Energy: 1.1167786584469614
Energy: 1.1751264158152617
Energy: 1.1787928342300464
Energy: 1.056649170125651
Energy: 1.1787928342295666
Energy: 1.0566491701237315
Energy: 1.1787928342300464
Energy: 1.056649170125651
Energy: 1.0624118366586222
Energy: 1.1507617705162316
Energy: 1.0624118366586222
Energy: 1.1507617705167112
Energy: 1.062411836659582
Energy: 1.1507617705171913
Energy: 1.0943593807727328
Energy: 1.2435307661141972
Energy: 1.0943593807727328
Energy: 1.243530766115637
Energy: 1.0943593807736924
Energy: 1.243530766114677
Energy: 1.1818505163560278
Energy: 1.2114493280896166
Energy: 1.1818505163565078
Energy: 1.2114493280900966
Energy: 1.1818505163569875
Energy: 1.2114493280896166
Energy: 1.1718070278171089
Energy: 1.2290416119214818
Energy: 1.1718070278180686
Energy: 1.229041611920042
Energy: 1.1718070278175885
Energy: 1.2290416119205219
Energy: 1.0192778153741553
Energy: 1.4055023328217344
Energy: 1.0192778153746354
Energy: 1.4055023328217344
Energy: 1.0192778153746354
Energy: 1.4055023328207745
Energy: 1.175525088946418
Energy: 1.1029261979760705
Energy: 1.175525088945938
Energy: 1.1029261979765501
Energy: 1.175525088945458
Energy: 1.1029261979760705
Energy: 1.2067820222788235
Energy: 1.2484164715674397
Energy: 1.2067820222788235
Energy: 1.2484164715664796
Energy: 1.2067820222788235
Energy: 1.2484164715669597
Energy: 1.0901356963010966
Energy: 0.9507402163478902
Energy: 1.0901356962886188
Energy: 0.9507402163531692
Energy: 1.0901356962967772
Energy: 0.9507402163522094
Energy: 1.348984488876323
Energy: 1.0959716399836654
Energy: 1.3489844888772824
Energy: 1.095971639985585
Energy: 1.3489844888772824
Energy: 1.0959716399884645
Energy: 1.2247484704345242
Energy: 1.0786337828040762
Energy: 1.2247484704349605
Energy: 1.0786337828079158
Energy: 1.2247484704340443
Energy: 1.078633782805516
Energy: 1.0360747459562134
Energy: 1.0474423918748939
Energy: 1.0360747459571733
Energy: 1.047442391873934
Energy: 1.0360747459581332
Energy: 1.047442391874414
Energy: 1.1349788237446463
Energy: 1.153011470288675
Energy: 1.1349788237456062
Energy: 1.1530114702901146
Energy: 1.1349788237451262
Energy: 1.1530114702891547
Energy: 1.177566493066716
Energy: 1.0226377270805294
Energy: 1.1775664930662362
Energy: 1.0226377270810094
Energy: 1.177566493066716
Energy: 1.0226377270810094
Energy: 1.205336829629575
Energy: 1.263959788765301
Energy: 1.2053368296329343
Energy: 1.263959788765781
Energy: 1.2053368296310147
Energy: 1.2639597887667409
Energy: 1.3371105212341894
Energy: 1.1947237391823387
Energy: 1.3371105212356291
Energy: 1.1947237391813788
Energy: 1.3371105212356291
Energy: 1.1947237391813788
Energy: 1.0608499677076668
Energy: 1.1963088845364367
Energy: 1.0608499677076668
Energy: 1.1963088845383565
Energy: 1.0608499677076668
Energy: 1.1963088845378764
Energy: 1.3057577694908593
Energy: 1.237068851803192
Energy: 1.3057577694913391
Energy: 1.237068851803192
Energy: 1.3057577694908593
Energy: 1.237068851803192
Energy: 1.2048813752869083
Energy: 1.2115737979087575
Energy: 1.2048813752873881
Energy: 1.2115737979082777
Energy: 1.2048813752878682
Energy: 1.2115737979082777
Energy: 1.0516904689868078
Energy: 1.3773563216595208
Energy: 1.051690468986328
Energy: 1.3773563216595208
Energy: 1.051690468986328
Energy: 1.3773563216585611
Energy: 1.0616784378295239
Energy: 1.17002445713876
Energy: 1.0616784378280841
Energy: 1.17002445713876
Energy: 1.0616784378276043
Energy: 1.1700244571392397
Energy: 1.1470531112187214
Energy: 1.1714091689983537
Energy: 1.147053111217762
Energy: 1.1714091689988337
Energy: 1.147053111217282
Energy: 1.1714091689993136
Energy: 1.197811027591375
Energy: 1.2951083218882546
Energy: 1.197811027591375
Energy: 1.2951083218887347
Energy: 1.197811027591375
Energy: 1.2951083218882546
Energy: 1.011863371886737
Energy: 0.9989280901234266
Energy: 1.011863371885777
Energy: 0.9989280901219869
Energy: 1.0118633718872168
Energy: 0.9989280901234266

minimum gb energy = 0.9122474522611114 eV
minimum distance =  2.35580608228281 Angstroms
sigma value = 41


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

Energy: 1.1169893071821186
Energy: 1.2457986029546013
Energy: 1.1169893071821186
Energy: 1.245798602953291
Energy: 1.1169893071808081
Energy: 1.245798602953291
Energy: 1.3735379391087068
Energy: 1.2447135525302622
Energy: 1.3735379391087068
Energy: 1.2447135525289519
Energy: 1.3735379391087068
Energy: 1.2447135525289519
Energy: 1.4319496620759653
Energy: 1.2456879044361786
Energy: 1.4159188142863803
Energy: 1.2456879044361786
Energy: 1.4159188142876908
Energy: 1.245687904437489
Energy: 1.336150009096099
Energy: 1.4482149958339314
Energy: 1.336150009096099
Energy: 1.4482149958326211
Energy: 1.336150009096099
Energy: 1.4482149958339314
Energy: 1.3446477288090308
Energy: 1.2422832418235779
Energy: 1.3446477288103411
Energy: 1.2422832418235779
Energy: 1.3446477288090308
Energy: 1.2422832418222676
Energy: 1.4782891212642506
Energy: 1.2598183493284856
Energy: 1.4782891212642506
Energy: 1.2598183493258648
Energy: 1.4782891212642506
Energy: 1.2598183493258648
Energy: 1.33172999306193
Energy: 1.3254024640927369
Energy: 1.33172999306193
Energy: 1.3254024640927369
Energy: 1.33172999306193
Energy: 1.3254024640927369
Energy: 1.5877650958646998
Energy: 1.2665022923659135
Energy: 1.5877650958646998
Energy: 1.2665022923646032
Energy: 1.5877650958660101
Energy: 1.2665022923646032
Energy: 1.196512668375604
Energy: 1.1406756146958459
Energy: 1.1965126683729832
Energy: 1.1406756146958459
Energy: 1.1965126683729832
Energy: 1.1406756146958459
Energy: 1.2927485428395658
Energy: 1.2527250024388306
Energy: 1.2927485428382555
Energy: 1.25272500243621
Energy: 1.2927485428382555
Energy: 1.2527250024388306
Energy: 1.3496835333456936
Energy: 1.2457165669446246
Energy: 1.3496835333443833
Energy: 1.245716566945935
Energy: 1.3496835333443833
Energy: 1.2457165669446246
Energy: 1.282389575345324
Energy: 1.2447770757892365
Energy: 1.282389575345324
Energy: 1.2447770757892365
Energy: 1.282389575345324
Energy: 1.2447770757892365
Energy: 1.2084116486297323
Energy: 1.440582768782044
Energy: 1.2084116486297323
Energy: 1.4405827687794235
Energy: 1.2084116486297323
Energy: 1.4405827687794235
Energy: 1.5255974516796558
Energy: 1.2945593176696286
Energy: 1.5255974516783457
Energy: 1.2945593176696286
Energy: 1.5255974516796558
Energy: 1.2945593176709391

minimum gb energy = 1.1169893071808081 eV
minimum distance =  2.33961982768814 Angstroms
sigma value = 11


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

Energy: 1.728413132275647
Energy: 1.542935706855279
Energy: 1.728413132275071
Energy: 1.542935706855279
Energy: 1.728413132275071
Energy: 1.542935706855279
Energy: 1.6338206142454839
Energy: 1.558907117453924
Energy: 1.6338206142460598
Energy: 1.558907117453924
Energy: 1.6338206142454839
Energy: 1.558907117453924
Energy: 1.472639420554037
Energy: 1.5074599207599078
Energy: 1.472639420554037
Energy: 1.5074599207604833
Energy: 1.4726394205546125
Energy: 1.5074599207604833
Energy: 1.5853523680401498
Energy: 1.3040034812287304
Energy: 1.5853523680401498
Energy: 1.3040034812293062
Energy: 1.5853523680395738
Energy: 1.3040034812287304
Energy: 1.6157007371884748
Energy: 1.471342854393599
Energy: 1.6157007371884748
Energy: 1.471342854393599
Energy: 1.6157007371878995
Energy: 1.471342854393599
Energy: 1.5277741964817362
Energy: 1.479491646822148
Energy: 1.527774196480585
Energy: 1.4794916468209967
Energy: 1.5277741964817362
Energy: 1.479491646822148
Energy: 1.660694363071441
Energy: 1.4025422314809308
Energy: 1.6606943630720166
Energy: 1.4025422314809308
Energy: 1.6606943630720166
Energy: 1.4025422314809308
Energy: 1.522016033882229
Energy: 1.4973512645075673
Energy: 1.5220160338828044
Energy: 1.4973512645064158
Energy: 1.5220160338828044
Energy: 1.4973512645069915
Energy: 1.4934386389946583
Energy: 1.499131830009858
Energy: 1.4934386389946583
Energy: 1.499131830009858
Energy: 1.4934386389969607
Energy: 1.4991318300104335
Energy: 1.5074013535593673
Energy: 1.4875031234614122
Energy: 1.5074013535587918
Energy: 1.4875031234614122
Energy: 1.5074013535587918
Energy: 1.4875031234614122
Energy: 1.3795651881230626
Energy: 1.5399074068329954
Energy: 1.3795651881230626
Energy: 1.5399074068329954
Energy: 1.3795651881230626
Energy: 1.53990740683242
Energy: 1.5573843430191725
Energy: 1.6232117698378146
Energy: 1.5573843430191725
Energy: 1.6232117698383903
Energy: 1.5573843430191725
Energy: 1.6232117698383903
Energy: 1.6717007964830681
Energy: 1.5067200303726516
Energy: 1.6717007964830681
Energy: 1.5067200303726516
Energy: 1.6717007964836437
Energy: 1.506720030373227
Energy: 1.46396093257526
Energy: 1.6451168168460903
Energy: 1.4639609325746845
Energy: 1.6451168168472414
Energy: 1.4639609325746845
Energy: 1.6451168168460903
Energy: 1.5329939210519816
Energy: 1.5054015880510077
Energy: 1.5236006798716504
Energy: 1.5054015880504317
Energy: 1.5236006798710746
Energy: 1.505401588051583
Energy: 1.5603255086128451
Energy: 1.4709870236373561
Energy: 1.5603255086122694
Energy: 1.4709870236367806
Energy: 1.5603255086133945
Energy: 1.4709870236373561
Energy: 1.5059938388996532
Energy: 1.4936399594312646
Energy: 1.5059938388990775
Energy: 1.4936399594318401
Energy: 1.5059938388996532
Energy: 1.4936399594312646
Energy: 1.553768981175283
Energy: 1.5379893169505428
Energy: 1.553768981175283
Energy: 1.537989316948816
Energy: 1.5537689811764344
Energy: 1.537989316948816
Energy: 1.38348322547855
Energy: 1.3387290579999265
Energy: 1.3834832254791258
Energy: 1.3387290579999265
Energy: 1.3834832254750966
Energy: 1.338729057999351
Energy: 1.5898395245598362
Energy: 1.5490793146635862
Energy: 1.5898395245598362
Energy: 1.5490793146635862
Energy: 1.589839524560412
Energy: 1.5490793146635862
Energy: 1.5598086680321952
Energy: 1.4484193500536968
Energy: 1.5598086680310441
Energy: 1.4484193500548481
Energy: 1.5598086680321952
Energy: 1.4484193500525457
Energy: 1.6674589378269655
Energy: 1.5321371284072685
Energy: 1.6674589378292677
Energy: 1.532137128406693
Energy: 1.6674589378286921
Energy: 1.5321371284072685
Energy: 1.5211303859958207
Energy: 1.6096153685451273
Energy: 1.5211303859958207
Energy: 1.6096153685445513
Energy: 1.5211303859958207
Energy: 1.6096153685445513
Energy: 1.534258262083398
Energy: 1.4558927111522346
Energy: 1.5342582620851248
Energy: 1.4558927111522346
Energy: 1.5342582620857004
Energy: 1.4558927111522346
Energy: 1.4709826226990186
Energy: 1.4740711664632404
Energy: 1.4709826226995941
Energy: 1.4740711664643917
Energy: 1.4709826226995941
Energy: 1.4740711664638162
Energy: 1.5113550739964028
Energy: 1.5673116549161281
Energy: 1.5113550739964028
Energy: 1.5673116549161281
Energy: 1.5113550739969785
Energy: 1.5673116549161281
Energy: 1.4441994073035724
Energy: 1.4776063591682014
Energy: 1.4441994073035724
Energy: 1.4776063591682014
Energy: 1.4441994073035724
Energy: 1.4776063591687767
Energy: 1.570736637694724
Energy: 1.5404046105206233
Energy: 1.5707366376935725
Energy: 1.540404610519472
Energy: 1.5707366376941485
Energy: 1.5404046105200477
Energy: 1.514513949048498
Energy: 1.5131888409179874
Energy: 1.5145139490490738
Energy: 1.5131888409179874
Energy: 1.5145139490490738
Energy: 1.5131888409168361
Energy: 1.461631179554267
Energy: 1.4989113442896835
Energy: 1.461631179554267
Energy: 1.4989113442896835
Energy: 1.4616311795548425
Energy: 1.4989113442902593
Energy: 1.608531787858758
Energy: 1.5153028121085355
Energy: 1.6085317878593333
Energy: 1.5153028121079597
Energy: 1.608531787858758
Energy: 1.5153028121085355

minimum gb energy = 1.3040034812287304 eV
minimum distance =  2.3046688463024 Angstroms
sigma value = 57


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

Energy: 1.6994572638594205
Energy: 1.5107581496579243
Energy: 1.6994572638604448
Energy: 1.5107581496579243
Energy: 1.6994572638604448
Energy: 1.5107581496579243
Energy: 1.513529650445404
Energy: 1.3393869258314672
Energy: 1.513529650445404
Energy: 1.3393869258314672
Energy: 1.513529650445404
Energy: 1.3393869258314672
Energy: 1.4113657158853492
Energy: 1.2438608794933625
Energy: 1.4113657158853492
Energy: 1.2438608794933625
Energy: 1.4113657158853492
Energy: 1.2438608794933625
Energy: 1.3933264734597064
Energy: 1.655301259377766
Energy: 1.3933264734597064
Energy: 1.6553012593787904
Energy: 1.3933264734597064
Energy: 1.655301259377766
Energy: 1.3920270550413463
Energy: 1.3066743553126834
Energy: 1.3920270550433949
Energy: 1.3066743553126834
Energy: 1.3920270550413463
Energy: 1.3066743553137077
Energy: 1.4000083576418403
Energy: 1.4123051970696339
Energy: 1.4000083576418403
Energy: 1.4123051970686094
Energy: 1.4000083576428646
Energy: 1.4995565342237933
Energy: 1.6994572638604448
Energy: 1.5107581496589486
Energy: 1.6994572638594205
Energy: 1.5107581496579243
Energy: 1.6994572638594205
Energy: 1.5107581496589486
Energy: 1.5135296504464282
Energy: 1.339386925830443
Energy: 1.513529650445404
Energy: 1.339386925830443
Energy: 1.513529650445404
Energy: 1.339386925830443
Energy: 1.411365715884325
Energy: 1.243860879495411
Energy: 1.4113657158853492
Energy: 1.2438608794943866
Energy: 1.4113657158863737
Energy: 1.2438608794943866
Energy: 1.393326473460731
Energy: 1.4885497684923579
Energy: 1.3933264734597064
Energy: 1.4885497684882603
Energy: 1.3933264734617552
Energy: 1.4885497684851876
Energy: 1.3920270550423706
Energy: 1.3066743553137077
Energy: 1.3920270550433949
Energy: 1.3066743553137077
Energy: 1.3920270550423706
Energy: 1.3066743553137077
Energy: 1.4000083576438886
Energy: 1.3375028878399262
Energy: 1.4000083576428646
Energy: 1.3375028878399262
Energy: 1.4000083576397915
Energy: 1.5647854135287427
Energy: 1.6994572638604448
Energy: 1.5107581496579243
Energy: 1.6994572638583962
Energy: 1.5107581496569
Energy: 1.6994572638594205
Energy: 1.5107581496579243
Energy: 1.513529650445404
Energy: 1.3393869258314672
Energy: 1.513529650445404
Energy: 1.3393869258314672
Energy: 1.5135296504464282
Energy: 1.3393869258314672
Energy: 1.4113657158853492
Energy: 1.243860879495411
Energy: 1.4113657158853492
Energy: 1.243860879495411
Energy: 1.4113657158873978
Energy: 1.2438608794943866
Energy: 1.3933264734597064
Energy: 1.6553012593767418
Energy: 1.3933264734597064
Energy: 1.655301259377766
Energy: 1.3933264734597064
Energy: 1.6553012593767418
Energy: 1.3920270550413463
Energy: 1.3066743553126834
Energy: 1.3920270550423706
Energy: 1.3066743553137077
Energy: 1.3920270550433949
Energy: 1.3066743553147322

minimum gb energy = 1.2438608794933625 eV
minimum distance =  2.29221461559851 Angstroms
sigma value = 9


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

Energy: 1.6287809060972107
Energy: 1.5712844659462675
Energy: 1.6287809060980472
Energy: 1.5712844659462675
Energy: 1.6287809060972107
Energy: 1.5712844659454313
Energy: 1.7399740925296205
Energy: 1.5136281172011772
Energy: 1.7399740925287843
Energy: 1.5136281172020136
Energy: 1.7399740925296205
Energy: 1.5136281172011772
Energy: 1.5776548399819117
Energy: 1.5324342319486475
Energy: 1.6132794602084255
Energy: 1.5324342319494837
Energy: 1.6132794602092622
Energy: 1.5324342319494837
Energy: 1.6172301730852434
Energy: 1.6422077372580381
Energy: 1.6172301730852434
Energy: 1.6422077372580381
Energy: 1.6172301730852434
Energy: 1.6422077372580381
Energy: 1.483196960138624
Energy: 1.537746748570776
Energy: 1.4831969601377877
Energy: 1.5377467485716125
Energy: 1.4831969601377877
Energy: 1.5377467485724488
Energy: 1.6949799876367775
Energy: 1.6274728006968293
Energy: 1.6949799876367775
Energy: 1.627472800695993
Energy: 1.6949799876359413
Energy: 1.6274728006968293
Energy: 1.542431360579395
Energy: 1.4988352974753971
Energy: 1.5424313605802311
Energy: 1.498835297472052
Energy: 1.5424313605802311
Energy: 1.4988352974737245
Energy: 1.6521417730781878
Energy: 1.6483779091873803
Energy: 1.652141773079024
Energy: 1.6483779091873803
Energy: 1.652141773079024
Energy: 1.6483779091865436
Energy: 1.6981716997459662
Energy: 1.5643161699825654
Energy: 1.69817169974513
Energy: 1.5643161699834016
Energy: 1.6981716997459662
Energy: 1.5643161699834016
Energy: 1.5386279855631295
Energy: 1.4802405795712779
Energy: 1.538627985562293
Energy: 1.4802405795704414
Energy: 1.538627985562293
Energy: 1.4802405795704414
Energy: 1.5030602278219705
Energy: 1.5865307641397384
Energy: 1.5030602278202978
Energy: 1.5865307641397384
Energy: 1.5030602278186251
Energy: 1.5865307641414108
Energy: 1.7026932344307197
Energy: 1.614926486476979
Energy: 1.7026932344315564
Energy: 1.614926486476979
Energy: 1.7026932344315564
Energy: 1.6149264864778152
Energy: 1.6314279582668216
Energy: 1.608362667434885
Energy: 1.6314279582668216
Energy: 1.608362667434885
Energy: 1.6314279582659854
Energy: 1.608362667434885
Energy: 1.7777245988749004
Energy: 1.573995704898087
Energy: 1.7777245988740642
Energy: 1.573995704898087
Energy: 1.7777245988749004
Energy: 1.5739957048989233
Energy: 1.6577554816421678
Energy: 1.621955821161012
Energy: 1.657755481643004
Energy: 1.6219558211635208
Energy: 1.657755481643004
Energy: 1.6219558211618483
Energy: 1.5464873811806628
Energy: 1.5846925086262058
Energy: 1.5464873811798263
Energy: 1.5846925086262058
Energy: 1.5464873811781537
Energy: 1.5846925086262058
Energy: 1.5860667808742965
Energy: 1.5834610006869658
Energy: 1.5860667808751328
Energy: 1.583461000687802
Energy: 1.5860667808742965
Energy: 1.5834610006886383
Energy: 1.6948789429547706
Energy: 1.693040007239585
Energy: 1.6948789429547706
Energy: 1.6930400072404213
Energy: 1.6948789429547706
Energy: 1.6930400072404213
Energy: 1.5696168250274058
Energy: 1.5711855003704511
Energy: 1.5696168250265694
Energy: 1.5711855003696147
Energy: 1.569616825028204
Energy: 1.5711855003696147
Energy: 1.4931059538429385
Energy: 1.6087300926012535
Energy: 1.4931059538412659
Energy: 1.6087300925946009
Energy: 1.493105953842102
Energy: 1.608730092592928
Energy: 1.6618601120751264
Energy: 1.6121704297430988
Energy: 1.6618601120742902
Energy: 1.6121704297422623
Energy: 1.6618601120759626
Energy: 1.612170429741426

minimum gb energy = 1.4802405795704414 eV
minimum distance =  2.34297986473384 Angstroms
sigma value = 27


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

Energy: 2.2217010980818173
Energy: 1.3789218911891619
Energy: 2.2217010980811125
Energy: 1.3789218920150115
Energy: 2.2217010980811125
Energy: 1.378921890709296
Energy: 1.4492200961056456
Energy: 1.4391083378103084
Energy: 1.4492200961021209
Energy: 1.4391083378124232
Energy: 1.4492200961049408
Energy: 1.4391083378110132
Energy: 1.4616050332992159
Energy: 1.4056673377533535
Energy: 1.4616050332999209
Energy: 1.4056673377519435
Energy: 1.4616050332992159
Energy: 1.4056673377526485
Energy: 1.4559696445072885
Energy: 1.8305123724956442
Energy: 1.4559696445079933
Energy: 1.830512372494234
Energy: 1.4559696445072885
Energy: 1.830512372494234
Energy: 1.759028993776483
Energy: 1.3860019599543285
Energy: 1.759028993774368
Energy: 1.3860019599479836
Energy: 1.759028993776483
Energy: 1.3860019599536235
Energy: 1.634702490104645
Energy: 2.0430816305161237
Energy: 1.63470249010535
Energy: 2.0430816305182384
Energy: 1.634702490104645
Energy: 2.043081630516829
Energy: 1.438805967550634
Energy: 1.555193366333041
Energy: 1.438805967550634
Energy: 1.5551933663415007
Energy: 1.438805967550634
Energy: 1.555193366340796
Energy: 1.414602139826612
Energy: 1.5879154217979934
Energy: 1.414602139826612
Energy: 1.5879154217994031
Energy: 1.414602139825907
Energy: 1.5879154217972882
Energy: 1.4516887908879352
Energy: 1.4584210502325154
Energy: 1.4516887908879352
Energy: 1.4584210502325154
Energy: 1.45168879088723
Energy: 1.4584210502318105
Energy: 1.7073021407934283
Energy: 1.6312517664786306
Energy: 1.7073021405601767
Energy: 1.6312517664779256
Energy: 1.70730214060882
Energy: 1.6312517664779256
Energy: 2.1436364057909767
Energy: 1.7568213770856866
Energy: 2.1436364057902715
Energy: 1.7568213770863914
Energy: 2.1436364057902715
Energy: 1.7568213770863914
Energy: 1.5023416242268735
Energy: 1.4649594704867508
Energy: 1.5023416242282837
Energy: 1.4649594704860458
Energy: 1.5023416242275787
Energy: 1.4649594704853406
Energy: 1.466494587778187
Energy: 1.4161140717260698
Energy: 1.466494587832438
Energy: 1.4161140717253649
Energy: 1.4664945876027113
Energy: 1.41611407172466
Energy: 1.473474291294846
Energy: 1.5329203502364632
Energy: 1.473474291294846
Energy: 1.5329203502364632
Energy: 1.473474291294846
Energy: 1.5329203502364632
Energy: 1.5519872987375163
Energy: 1.694008764685369
Energy: 1.5519872987375163
Energy: 1.694008764686779
Energy: 1.5519872987375163
Energy: 1.694008764686779
Energy: 1.6446003088996102
Energy: 1.3617229685985954
Energy: 1.6446003088974952
Energy: 1.3617229685978904
Energy: 1.6446003088967902
Energy: 1.3617229685985954
Energy: 1.5102904628977996
Energy: 1.4764732642555791
Energy: 1.5102904628977996
Energy: 1.476473264256284
Energy: 1.5102904628977996
Energy: 1.4764732642555791
Energy: 1.465968770519649
Energy: 1.3297501306208042
Energy: 1.4659687705295186
Energy: 1.3297501306208042
Energy: 1.4659687705393882
Energy: 1.3297501306208042
Energy: 1.3271771626906628
Energy: 1.4761968375623233
Energy: 1.3271771626899578
Energy: 1.4761968375623233
Energy: 1.3271771626906628
Energy: 1.4761968375616183
Energy: 2.2217010980818173
Energy: 1.3789218935279268
Energy: 2.2217010980818173
Energy: 1.3789218929959246
Energy: 2.2217010980811125
Energy: 1.378921891146863
Energy: 1.4492200961035309
Energy: 1.4391083378088985
Energy: 1.4492200961014159
Energy: 1.4391083378096035
Energy: 1.4492200961063506
Energy: 1.4391083378117184
Energy: 1.4616050332992159
Energy: 1.4056673377526485
Energy: 1.4616050332985107
Energy: 1.4056673377533535
Energy: 1.4616050332992159
Energy: 1.4056673377526485
Energy: 1.4559696445065835
Energy: 1.8305123724949393
Energy: 1.4559696445072885
Energy: 1.8305123724956442
Energy: 1.4559696445079933
Energy: 1.830512372494234
Energy: 1.759028993777893
Energy: 1.3860019599515088
Energy: 1.759028993777893
Energy: 1.3860019599543285
Energy: 1.7590289937771877
Energy: 1.3860019599486888
Energy: 1.634702490104645
Energy: 2.0430816305182384
Energy: 1.63470249010394
Energy: 2.043081630516829
Energy: 1.634702490104645
Energy: 2.0430816305182384

minimum gb energy = 1.3271771626899578 eV
minimum distance =  2.36344053130104 Angstroms
sigma value = 19


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

Energy: 1.6942258834598611
Energy: 1.5384387845109333
Energy: 1.6942258834604693
Energy: 1.5384387845109333
Energy: 1.6942258834604693
Energy: 1.538438784510325
Energy: 1.4800134405366463
Energy: 1.4296467338538092
Energy: 1.4800134405366463
Energy: 1.4296467338544177
Energy: 1.4800134405366463
Energy: 1.4296467338544177
Energy: 1.670384008749868
Energy: 1.414460868460478
Energy: 1.4412707395014064
Energy: 1.4144608684598694
Energy: 1.4412707394995807
Energy: 1.4144608684598694
Energy: 1.5080020329174573
Energy: 1.456143875183317
Energy: 1.5080020329168486
Energy: 1.4561438751814915
Energy: 1.5080020329174573
Energy: 1.4561438751821
Energy: 1.490947103529574
Energy: 1.5454706855762164
Energy: 1.490947103532008
Energy: 1.545470685576825
Energy: 1.4909471035301827
Energy: 1.545470685576825
Energy: 1.5116682399549728
Energy: 1.3760853743321029
Energy: 1.5116682399537558
Energy: 1.3760853743321029
Energy: 1.5116682399543642
Energy: 1.3760853743314942
Energy: 1.3213399331216829
Energy: 1.5769746114464838
Energy: 1.3213399331222913
Energy: 1.576974611443441
Energy: 1.3213399331204656
Energy: 1.5769746114458756
Energy: 1.4289672151410104
Energy: 1.5536099401990109
Energy: 1.4289672151428359
Energy: 1.5536099401990109
Energy: 1.428967215141619
Energy: 1.5536099401984025
Energy: 1.5395062650103994
Energy: 1.35086549696197
Energy: 1.5395062650103994
Energy: 1.3508654969613614
Energy: 1.5395062650110078
Energy: 1.3508654969613614
Energy: 1.488455197239899
Energy: 1.4294616171378456
Energy: 1.4884551972405076
Energy: 1.4294616171372372
Energy: 1.488455197239899
Energy: 1.4294616171384544
Energy: 1.3604994786838027
Energy: 1.5974969561906667
Energy: 1.3604994786838027
Energy: 1.5974969561906667
Energy: 1.3604994786831945
Energy: 1.5974969561906667
Energy: 1.5167092649188316
Energy: 1.510600033098547
Energy: 1.5167092649200486
Energy: 1.5106000330979388
Energy: 1.5167092649188316
Energy: 1.5106000330979388
Energy: 1.536380345809927
Energy: 1.516310286464931
Energy: 1.5363803458105356
Energy: 1.5163102864643223
Energy: 1.5363803458105356
Energy: 1.5163102864655391
Energy: 1.4424317341752484
Energy: 1.4276716149621764
Energy: 1.44243173417464
Energy: 1.4276716149615678
Energy: 1.44243173417464
Energy: 1.4276716149615678
Energy: 1.6019434136896993
Energy: 1.4288889356594734
Energy: 1.6019434136896993
Energy: 1.428888935658865
Energy: 1.6019434136890909
Energy: 1.4288889356594734
Energy: 1.549848209757368
Energy: 1.3601961758898142
Energy: 1.5498482097579767
Energy: 1.3601961758885972
Energy: 1.5498482097579767
Energy: 1.3601961758898142
Energy: 1.570754404459687
Energy: 1.470538366020761
Energy: 1.570754404460904
Energy: 1.470538366020761
Energy: 1.570754404459687
Energy: 1.470538366020761
Energy: 1.6123525570106128
Energy: 1.5485945326725368
Energy: 1.6123525570112214
Energy: 1.5485945326719284
Energy: 1.6123525570106128
Energy: 1.5485945326719284
Energy: 1.3526978577086144
Energy: 1.4536124271311135
Energy: 1.352697857706789
Energy: 1.4536124271316941
Energy: 1.352697857709223
Energy: 1.4536124271311135
Energy: 1.4507508832960805
Energy: 1.5088582725296378
Energy: 1.450750883296689
Energy: 1.5088582725284208
Energy: 1.4507508832960805
Energy: 1.5088582725302464
Energy: 1.3977750000575118
Energy: 1.6206968614520207
Energy: 1.3977750000581206
Energy: 1.6206968614514121
Energy: 1.397775000058729
Energy: 1.6206968614520207
Energy: 1.4998654752309974
Energy: 1.416875208452715
Energy: 1.4998654752322145
Energy: 1.416875208452715
Energy: 1.4998654752322145
Energy: 1.4168752084521066
Energy: 1.558031746043111
Energy: 1.4084573491492685
Energy: 1.5580317460437196
Energy: 1.4084573491510943
Energy: 1.558031746043111
Energy: 1.408457349147443
Energy: 1.4723850043041566
Energy: 1.5292793093691963
Energy: 1.4723850043041566
Energy: 1.5292793093691963
Energy: 1.4723850043041566
Energy: 1.529279309368588
Energy: 1.517978952323333
Energy: 1.3804592955203596
Energy: 1.517978952323333
Energy: 1.3804592955227937
Energy: 1.517978952323333
Energy: 1.3804592955221853
Energy: 1.6354508711886964
Energy: 1.5357486280305626
Energy: 1.6354508711844369
Energy: 1.5357486280305626
Energy: 1.635450871189305
Energy: 1.5357486280305626
Energy: 1.3567351560515821
Energy: 1.463124807690593
Energy: 1.3567351560515821
Energy: 1.4631248076899845
Energy: 1.3567351560515821
Energy: 1.463124807690593
Energy: 1.5499478133192193
Energy: 1.4939436121165008
Energy: 1.549947813319828
Energy: 1.4939436121165008
Energy: 1.5499478133173936
Energy: 1.4939436121177179
Energy: 1.4834702776633797
Energy: 1.4575441179519626
Energy: 1.4834702776627713
Energy: 1.457544117951354
Energy: 1.4834702776658137
Energy: 1.4575441179519626

minimum gb energy = 1.3213399331204656 eV
minimum distance =  2.33375642895633 Angstroms
sigma value = 101


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

Energy: 1.556507770998492
Energy: 1.4378551667084072
Energy: 1.556507770999027
Energy: 1.437855166708942
Energy: 1.556507770998492
Energy: 1.437855166708942
Energy: 1.470045008477791
Energy: 1.3670003444851506
Energy: 1.4700450084601384
Energy: 1.3670003444851506
Energy: 1.470045008477791
Energy: 1.3670003444851506
Energy: 1.257418371161658
Energy: 1.512463313691122
Energy: 1.2574183711627276
Energy: 1.5124633136884476
Energy: 1.2574183711632627
Energy: 1.5124633136889825
Energy: 1.2527779788379083
Energy: 1.682976911779345
Energy: 1.2527779788373734
Energy: 1.5712948199543648
Energy: 1.2527779788384434
Energy: 1.5712948199543648
Energy: 1.2811646926571039
Energy: 1.4499198723789453
Energy: 1.2811646926560343
Energy: 1.4499198723794804
Energy: 1.2811646926544293
Energy: 1.4499198723789453
Energy: 1.3707053202314123
Energy: 1.5278943550930504
Energy: 1.3707053202314123
Energy: 1.5278943550919806
Energy: 1.3707053202303427
Energy: 1.5278943550925155
Energy: 1.297380642958951
Energy: 1.4470890530333862
Energy: 1.297380642957881
Energy: 1.4470890530360607
Energy: 1.2973806429562762
Energy: 1.4470890530344558
Energy: 1.2667094537057288
Energy: 1.651117059222115
Energy: 1.266709453705194
Energy: 1.4088221314344702
Energy: 1.266709453705194
Energy: 1.4088221314055842
Energy: 1.3681347950445686
Energy: 1.2698540274305976
Energy: 1.3681347950440337
Energy: 1.269854027432202
Energy: 1.3681347950440337
Energy: 1.2698540274311325
Energy: 1.3561924343588216
Energy: 1.6475656800545453
Energy: 1.3561924343556122
Energy: 1.676397669907977
Energy: 1.3561924343577518
Energy: 1.539658995367987
Energy: 1.251030448103904
Energy: 1.619699967779583
Energy: 1.251030448103369
Energy: 1.6196999677801178
Energy: 1.2510304481028343
Energy: 1.619699967779583
Energy: 1.5193956890244082
Energy: 1.369172835942422
Energy: 1.519395689024943
Energy: 1.3691728359434918
Energy: 1.519395689023873
Energy: 1.3691728359434918
Energy: 1.3065945889504018
Energy: 1.3872513864341671
Energy: 1.3065945889498667
Energy: 1.3872513864352372
Energy: 1.3065945889504018
Energy: 1.387251386434702
Energy: 1.4317459221319038
Energy: 1.5272404540139972
Energy: 1.431745922131369
Energy: 1.5272404540139972
Energy: 1.4317459221319038
Energy: 1.5272404540139972
Energy: 1.6063696956062963
Energy: 1.5030784906972423
Energy: 1.6063696956057616
Energy: 1.5030784906983121
Energy: 1.6063696956068314
Energy: 1.5030784906977772
Energy: 1.255955857855799
Energy: 1.2835883484846002
Energy: 1.2559558578568686
Energy: 1.2835883484851351
Energy: 1.255955857854194
Energy: 1.2835883484851351
Energy: 1.251182014158171
Energy: 1.589283201681528
Energy: 1.2511820141576362
Energy: 1.589283201681528
Energy: 1.2511820141576362
Energy: 1.5892832016820628
Energy: 1.3776086822772478
Energy: 1.511072584191183
Energy: 1.3776086822772478
Energy: 1.511072584183694
Energy: 1.3776086822772478
Energy: 1.5110725841820891
Energy: 1.3684720035243005
Energy: 1.2694525886422932
Energy: 1.3684720035253704
Energy: 1.2694525886412233
Energy: 1.3684720035253704
Energy: 1.2694525886422932
Energy: 1.3196213731161714
Energy: 1.4447058364619234
Energy: 1.3196213731156365
Energy: 1.4447058364608534
Energy: 1.3196213731081476
Energy: 1.4447058364624583
Energy: 1.2687541434917935
Energy: 1.5026082368389346
Energy: 1.268754143492863
Energy: 1.5026082368389346
Energy: 1.2687541434923282
Energy: 1.5026082368378648
Energy: 1.6780462193688939
Energy: 1.2873682749472666
Energy: 1.6780462193694288
Energy: 1.2873682749467315
Energy: 1.6780462193688939
Energy: 1.2873682749461965
Energy: 1.5752078192500198
Energy: 1.3820649330547308
Energy: 1.5752078192505548
Energy: 1.382064933055801
Energy: 1.5752078192500198
Energy: 1.3820649330574055
Energy: 1.2526949198352608
Energy: 1.45751384866148
Energy: 1.2526949198347261
Energy: 1.45751384866148
Energy: 1.2526949198352608
Energy: 1.45751384866148
Energy: 1.4569280920958754
Energy: 1.4060452897144553
Energy: 1.4569280920948056
Energy: 1.4060452897101758
Energy: 1.4569280920937355
Energy: 1.4060452897155251
Energy: 1.3079565452096946
Energy: 1.3014932775782415
Energy: 1.3079565452096946
Energy: 1.3014932775761017
Energy: 1.3079565452096946
Energy: 1.301493277575567
Energy: 1.3056733999544556
Energy: 1.3678038002667974
Energy: 1.305673399952316
Energy: 1.3678038002673323
Energy: 1.305673399952316
Energy: 1.3678038002673323
Energy: 1.440760943298343
Energy: 1.4824754694272186
Energy: 1.4407609432988782
Energy: 1.4824754694277535
Energy: 1.440760943299948
Energy: 1.4824754694272186
Energy: 1.408688095906471
Energy: 1.2833828045663564
Energy: 1.4086880959054013
Energy: 1.2833828045663564
Energy: 1.4086880959054013
Energy: 1.2833828045658218
Energy: 1.3772964426965528
Energy: 1.4451475407843317
Energy: 1.3772964426970877
Energy: 1.445147540783262
Energy: 1.3772964426965528
Energy: 1.445147540783262
Energy: 1.2512586466994715
Energy: 1.3819675626626073
Energy: 1.2512586467000064
Energy: 1.3819675626610024
Energy: 1.2512586466989364
Energy: 1.3819675626610024
Energy: 1.5843846334703429
Energy: 1.2874504366201178
Energy: 1.584384633469808
Energy: 1.2874504366206527
Energy: 1.584384633469808
Energy: 1.2874504366201178
Energy: 1.5966493180332573
Energy: 1.5294310866410603
Energy: 1.5966493180332573
Energy: 1.5294310866421301
Energy: 1.596649318034327
Energy: 1.5294310866432

minimum gb energy = 1.2510304481028343 eV
minimum distance =  2.36112153373516 Angstroms
sigma value = 33


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

Energy: 0.018633053697102112
Energy: 0.790285662983364
Energy: 0.018633053697102112
Energy: 0.790285662983364
Energy: 0.018633053697102112
Energy: 0.7902856629838084
Energy: 0.0196127534274219
Energy: 0.3178779809311277
Energy: 0.019612753427866354
Energy: 0.3178779809315721
Energy: 0.0196127534274219
Energy: 0.3178779809311277
Energy: 0.7905327360591595
Energy: 3.7073960276631257
Energy: 0.790607786161674
Energy: 3.707396027662731
Energy: 0.7905884438238744
Energy: 3.7073960276635707
Energy: 0.0196127534274219
Energy: 0.3178779809307326
Energy: 0.0196127534274219
Energy: 0.3178779809315721
Energy: 0.0196127534274219
Energy: 0.3178779809307326

minimum gb energy = 0.018633053697102112 eV
minimum distance =  2.54060686023933 Angstroms
sigma value = 1