Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535584408941
mass=95.95
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: 0.0174052488210098
Energy: 0.01868104050885931
Energy: 1.4262770764979673
Energy: 0.018681040508491367
Energy: 0.0174052488210098
Energy: 0.01868104050885931
Energy: 0.01868104050885931
Energy: 22.823484255297455
Energy: 0.018681040508491367
Energy: 22.823451230068905
Energy: 0.018681040508491367
Energy: 22.469258487626416
Energy: 1.4262770764983352
Energy: 0.018681040508491367
Energy: 0.017405248820227922
Energy: 0.018681040508491367
Energy: 1.4262770764979673
Energy: 0.01868104050885931
Energy: 0.018681040508491367
Energy: 22.82344425379744
Energy: 0.018681040508491367
Energy: 22.38884549959649
Energy: 0.01868104050885931
Energy: 22.823414624397678
Energy: 0.017405248820641858
Energy: 0.01868104050885931
Energy: 1.4262770764979673
Energy: 0.01868104050885931
Energy: 0.0174052488210098
Energy: 0.01868104050885931
Energy: 0.018681040508491367
Energy: 22.58588628183648
Energy: 0.01868104050885931
Energy: 22.823401861645163
Energy: 0.018681040508491367
Energy: 22.650761329285167

minimum gb energy = 0.017405248820227922 eV
minimum distance =  1.62378408968874 Angstroms
sigma value = 1


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

Energy: 1.9444512657877784
Energy: 1.986727111552145
Energy: 2.1343827512726303
Energy: 1.9867271115541376
Energy: 1.944451265788775
Energy: 1.9867271115541376
Energy: 1.9947384481340877
Energy: 1.9682327796536427
Energy: 1.895250747147926
Energy: 1.9682327796536427
Energy: 1.9947384481330914
Energy: 1.9682327796536427
Energy: 2.030639644480775
Energy: 1.9658806151433068
Energy: 1.9042335304933933
Energy: 1.9658806151433068
Energy: 2.030639644480775
Energy: 1.9658806151433068
Energy: 2.0239948375064176
Energy: 1.9041854660931863
Energy: 2.019408889708895
Energy: 1.9041854660941824
Energy: 2.023994837504425
Energy: 1.9041854660931863
Energy: 1.9925980336269058
Energy: 1.9915573819265175
Energy: 1.982097157923578
Energy: 1.9915573819265175
Energy: 1.9925980336279023
Energy: 1.9915573819265175
Energy: 1.896580039346448
Energy: 1.9662512524730797
Energy: 2.0319924961833475
Energy: 1.9662512524720837
Energy: 1.8965800393474446
Energy: 1.9662512524730797
Energy: 1.8954625740040112
Energy: 1.967682640604839
Energy: 2.0369526433615266
Energy: 1.967682640603843
Energy: 1.8954625740806883
Energy: 1.967682640603843
Energy: 1.9808751472349222
Energy: 1.992999473760432
Energy: 2.012563350323672
Energy: 1.992999473760432
Energy: 1.9808751472319328
Energy: 1.9929994737594354
Energy: 1.951783072209226
Energy: 1.894627803520838
Energy: 2.01389223907576
Energy: 1.894627803520838
Energy: 1.9517830722181937
Energy: 1.894627803520838
Energy: 1.8990917646344516
Energy: 1.9660296809013171
Energy: 2.0328187528242565
Energy: 1.9660296809013171
Energy: 1.8990917646344516
Energy: 1.9660296809013171
Energy: 1.9744671288907893
Energy: 1.9690403522797295
Energy: 1.9633125405212377
Energy: 1.9690403522797295
Energy: 1.9744671292224523
Energy: 1.9690403522807263
Energy: 2.022840451381823
Energy: 1.989045563307017
Energy: 2.010232857858453
Energy: 1.989045563307017
Energy: 2.022840451381823
Energy: 1.989045563307017
Energy: 1.899118059202812
Energy: 1.9690403522777369
Energy: 2.025940934977216
Energy: 1.9690403522777369
Energy: 1.8991180592008192
Energy: 1.9690403522787334
Energy: 2.0328391732329525
Energy: 1.9659965512736504
Energy: 1.8990797491764053
Energy: 1.965996551274647
Energy: 2.0328391732329525
Energy: 1.9659965512736504
Energy: 2.0145314901488156
Energy: 1.8950241008851565
Energy: 1.9679020141524968
Energy: 1.8950241008841604
Energy: 2.0145314901478186
Energy: 1.8950241008851565
Energy: 2.0120624062026153
Energy: 1.9981037263480403
Energy: 1.9803618712961721
Energy: 1.9981037263480403
Energy: 2.0120624062026153
Energy: 1.9981037263470438
Energy: 2.036951877026678
Energy: 1.9678412890832677
Energy: 1.9245834371603403
Energy: 1.9678412890822712
Energy: 2.036951877027674
Energy: 1.9678412890842643
Energy: 2.0320972964747495
Energy: 1.965670886623706
Energy: 1.9331530907865768
Energy: 1.965670886623706
Energy: 2.032097296473753
Energy: 1.965670886623706
Energy: 1.962466319520979
Energy: 1.9915651307880307
Energy: 1.9958641679565983
Energy: 1.9915651307880307
Energy: 1.9624663195140497
Energy: 1.9915651307880307
Energy: 2.011995760940886
Energy: 1.9042661966762169
Energy: 1.9502226786652805
Energy: 1.9042661966742243
Energy: 2.011995760940886
Energy: 1.9042661966752208
Energy: 1.9088330963576683
Energy: 1.9655635760848045
Energy: 2.030381344487266
Energy: 1.965563576083808
Energy: 1.9088330963576683
Energy: 1.965563576083808
Energy: 1.9310230094436502
Energy: 1.9682257856914716
Energy: 2.0008689360045815
Energy: 1.9682257856924679
Energy: 1.931023009466567
Energy: 1.9682257856924679
Energy: 2.0872857663986046
Energy: 1.986727111553141
Energy: 1.9444512657877784
Energy: 1.9867271115541376
Energy: 2.0872857664155426
Energy: 1.986727111553141

minimum gb energy = 1.894627803520838 eV
minimum distance =  2.44189418339113 Angstroms
sigma value = 33


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

Energy: 2.3995290015037787
Energy: 2.051189236463387
Energy: 2.1366681111663013
Energy: 2.05118923646282
Energy: 2.399529001501512
Energy: 2.05118923646282
Energy: 2.168786897950496
Energy: 2.0115620770622074
Energy: 2.1757735625959747
Energy: 2.0115620770627745
Energy: 2.168786897950496
Energy: 2.0115620770622074
Energy: 2.085188829223652
Energy: 2.0458529940925083
Energy: 2.0422675596194386
Energy: 2.0458529940919417
Energy: 2.085188829224218
Energy: 2.0458529940919417
Energy: 2.060025415251883
Energy: 1.9812870185235816
Energy: 2.067625016213414
Energy: 1.9812870185235816
Energy: 2.060025415251883
Energy: 1.9812870185235816
Energy: 2.0674823563937186
Energy: 2.0107336699816782
Energy: 2.034932250061766
Energy: 2.010733669982245
Energy: 2.0674823563914515
Energy: 2.0107336699816782
Energy: 2.0935403708679896
Energy: 2.012523322354234
Energy: 2.136000966679743
Energy: 2.012523322354234
Energy: 2.093540370866289
Energy: 2.012523322354234
Energy: 2.0932825488163744
Energy: 2.020764593366948
Energy: 2.227014437408098
Energy: 2.020764593366948
Energy: 2.0932825488141074
Energy: 2.0207645933663816
Energy: 2.1617187388658303
Energy: 2.0171191512798012
Energy: 2.2276811470839792
Energy: 2.017119151279235
Energy: 2.161718738866397
Energy: 2.017119151279235
Energy: 2.006067571813333
Energy: 1.9809859990476668
Energy: 2.088909194700332
Energy: 1.9809859990482335
Energy: 2.006067571812199
Energy: 1.9809859990465333
Energy: 2.002766078607453
Energy: 2.0468049638282473
Energy: 2.007622503385834
Energy: 2.0468049638282473
Energy: 2.002766078608586
Energy: 2.0468049638282473
Energy: 2.086624393858665
Energy: 2.0533328972095184
Energy: 2.1231527873164833
Energy: 2.0533328972095184
Energy: 2.0866243938592315
Energy: 2.0533328972095184
Energy: 2.0274302231035883
Energy: 2.019167732048127
Energy: 2.0684758509316614
Energy: 2.019167732048127
Energy: 2.0274302231024555
Energy: 2.019167732048127
Energy: 2.0662882279216648
Energy: 1.9811708275028381
Energy: 2.0861392532967247
Energy: 1.9811708275022712
Energy: 2.0662881994055016
Energy: 1.9811708275017046
Energy: 2.14206856660601
Energy: 2.0460115411530584
Energy: 2.4120718331957867
Energy: 2.0460115411536246
Energy: 2.1420685666065773
Energy: 2.0460115411530584
Energy: 2.0313951612027545
Energy: 2.016356591563018
Energy: 2.1574008930269826
Energy: 2.016356591562452
Energy: 2.031395161203321
Energy: 2.016356591562452
Energy: 2.028365986897469
Energy: 2.01295760502523
Energy: 2.081119360932661
Energy: 2.012957605024097
Energy: 2.028365986898036
Energy: 2.012957605024097
Energy: 2.052643248824459
Energy: 2.0209983629132093
Energy: 2.035548513048813
Energy: 2.020998362913776
Energy: 2.052643248970576
Energy: 2.0209983629126427
Energy: 2.0646332757480717
Energy: 2.017904205848349
Energy: 2.1106019533874396
Energy: 2.0179042058489163
Energy: 2.064633275659711
Energy: 2.0179042058489163
Energy: 2.1145317300591793
Energy: 2.0171487540390407
Energy: 2.3277013779934888
Energy: 2.017148754037907
Energy: 2.114531730059746
Energy: 2.017148754037907
Energy: 2.0180640770597247
Energy: 1.9813849191325839
Energy: 2.171742125060562
Energy: 1.9813849191325839
Energy: 2.018064077060858
Energy: 1.98138491913145
Energy: 2.048947834515455
Energy: 2.0472408587765467
Energy: 2.144876553719111
Energy: 2.0472408587771134
Energy: 2.048947834516022
Energy: 2.0472408587771134
Energy: 2.088643163564355
Energy: 2.049514190864426
Energy: 2.1589192048162307
Energy: 2.0495141908649925
Energy: 2.0886431635626552
Energy: 2.0495141908649925
Energy: 2.005052955253478
Energy: 2.0173025732948515
Energy: 2.054809226749749
Energy: 2.017302573295418
Energy: 2.005052955253478
Energy: 2.017302573295418
Energy: 2.0495217812688225
Energy: 2.01144344300314
Energy: 2.094161880933111
Energy: 2.011443443002006
Energy: 2.049521781265422
Energy: 2.011443443002006
Energy: 2.093666210340197
Energy: 2.0224206514094543
Energy: 2.0446237239824594
Energy: 2.0224206514100214
Energy: 2.0936662103396304
Energy: 2.0224206514094543
Energy: 2.123151416348026
Energy: 2.047192064449929
Energy: 2.178679227035057
Energy: 2.0471920644504955
Energy: 2.123151416387131
Energy: 2.0471920644504955
Energy: 2.123265213531443
Energy: 2.0469882818635035
Energy: 2.1850628438184976
Energy: 2.0469882818635035
Energy: 2.123265213533143
Energy: 2.04698828186407
Energy: 2.0919750569200635
Energy: 2.0223879628245203
Energy: 2.041988280227134
Energy: 2.0223879628245203
Energy: 2.0919750569200635
Energy: 2.022387962823953
Energy: 2.0858688222412636
Energy: 2.01141400462542
Energy: 2.1242163684074664
Energy: 2.011414004624853
Energy: 2.0858688222412636
Energy: 2.01141400462542
Energy: 2.005205769182606
Energy: 2.017235531553596
Energy: 2.031415336083274
Energy: 2.017235531553596
Energy: 2.0052057691831733
Energy: 2.017235531553596
Energy: 2.0911542322815824
Energy: 2.0495141908649925
Energy: 2.150852626840954
Energy: 2.049514190864426
Energy: 2.0911542322804495
Energy: 2.0495141908649925
Energy: 2.048156353195047
Energy: 2.047240963457661
Energy: 2.1451358897009536
Energy: 2.047240963457661
Energy: 2.0481563531956137
Energy: 2.047240963457661
Energy: 2.0175414893594903
Energy: 1.9814688030217733
Energy: 2.171493170207976
Energy: 1.9814688030212064
Energy: 2.0175414893844272
Energy: 1.9814688030217733
Energy: 2.1146618127160757
Energy: 2.0172458061997487
Energy: 2.408660247778425
Energy: 2.017245806200316
Energy: 2.1146618127160757
Energy: 2.017245806200316
Energy: 2.08788680809754
Energy: 2.0176104516400306
Energy: 2.1021003257804813
Energy: 2.0176104516400306
Energy: 2.087886808099807
Energy: 2.0176104516405977
Energy: 2.077295635462334
Energy: 2.0214083470311475
Energy: 2.033721757581001
Energy: 2.0214083470311475
Energy: 2.0772956354617675
Energy: 2.0214083470305804
Energy: 2.0784303058967546
Energy: 2.0137108589148194
Energy: 2.0648929048388487
Energy: 2.0137108589148194
Energy: 2.0784303058967546
Energy: 2.0137108589148194
Energy: 2.0300703971699003
Energy: 2.0163811874863637
Energy: 2.1148084134378378
Energy: 2.0163811874863637
Energy: 2.0300703971693337
Energy: 2.0163811874857966
Energy: 2.140335263897565
Energy: 2.045900299587386
Energy: 2.412732432894654
Energy: 2.0459002995879527
Energy: 2.140335263895865
Energy: 2.0459002995879527
Energy: 2.04938956815222
Energy: 1.981221613944299
Energy: 2.086310758932958
Energy: 1.9812216139448657
Energy: 2.049389568274534
Energy: 1.981221613944299
Energy: 2.0275406887360314
Energy: 2.019156717733388
Energy: 2.0900875676215267
Energy: 2.0191567177328213
Energy: 2.0275406887360314
Energy: 2.0191567177328213

minimum gb energy = 1.9809859990465333 eV
minimum distance =  2.42887119775276 Angstroms
sigma value = 51


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

Energy: 2.090491638911166
Energy: 2.0213033506344864
Energy: 2.1414210999361667
Energy: 2.0213033506344864
Energy: 2.090491638911166
Energy: 2.02130335063577
Energy: 2.0950267651963475
Energy: 2.222211017390733
Energy: 2.3183820354498454
Energy: 2.222211017390733
Energy: 2.0950267651963475
Energy: 2.222211017390733
Energy: 2.0950525103973954
Energy: 2.0217414885901275
Energy: 2.2143335875673604
Energy: 2.0217414885901275
Energy: 2.0950525103973954
Energy: 2.0217414885901275
Energy: 2.145198114205883
Energy: 1.9670828867179162
Energy: 2.1970898343419853
Energy: 1.9670828867179162
Energy: 2.145198114205883
Energy: 1.967082886716603
Energy: 2.110998058501659
Energy: 1.9674056832772235
Energy: 2.2155152726380685
Energy: 1.9674056832785367
Energy: 2.110998058501659
Energy: 1.9674056832785367
Energy: 2.09140077882324
Energy: 1.966132844182076
Energy: 2.2638891307733218
Energy: 1.966132844182076
Energy: 2.0914007788206135
Energy: 1.9661328441807628
Energy: 2.091463776101086
Energy: 1.9667019079955517
Energy: 2.1954517314933444
Energy: 1.9667019079942385
Energy: 2.0914637702497103
Energy: 1.9667019079929253
Energy: 2.1128955679373767
Energy: 1.9663794867104105
Energy: 2.1156094554591838
Energy: 1.9663794867104105
Energy: 2.112895567936064
Energy: 1.9663794867104105
Energy: 2.1089609933829947
Energy: 2.1201204308215935
Energy: 2.1126891907823264
Energy: 2.1201204308215935
Energy: 2.1089610328725397
Energy: 2.1201204308202803
Energy: 2.0994761873164736
Energy: 2.050274906993563
Energy: 2.1150277915514404
Energy: 2.050274906994876
Energy: 2.0994761873151604
Energy: 2.050274906994876
Energy: 2.193724563576979
Energy: 1.9675513002828853
Energy: 2.219294171153808
Energy: 1.9675513002815723
Energy: 2.193724563576979
Energy: 1.9675513002815723
Energy: 2.0994092956456125
Energy: 2.0213587920170726
Energy: 2.265075768166777
Energy: 2.0213587920183858
Energy: 2.0994092956456125
Energy: 2.0213587920183858
Energy: 2.125972890362945
Energy: 1.9852316020311387
Energy: 2.1945721061694767
Energy: 1.9852316020311387
Energy: 2.125972890366885
Energy: 1.9852316020324519
Energy: 2.100719386234197
Energy: 2.0206837298862537
Energy: 2.191970956042901
Energy: 2.0206837298862537
Energy: 2.100719386234197
Energy: 2.0206837298862537
Energy: 2.0953413444070947
Energy: 2.020872290409996
Energy: 2.226118160957151
Energy: 2.0208722904086827
Energy: 2.0953413444070947
Energy: 2.020872290409996
Energy: 2.111314729120393
Energy: 2.002341757111288
Energy: 2.2164400773833455
Energy: 2.002341757111288
Energy: 2.111314729120393
Energy: 2.002341757111288
Energy: 2.1029255713243757
Energy: 2.0495571770194325
Energy: 2.2604123539426104
Energy: 2.0495571770194325
Energy: 2.1029255713283153
Energy: 2.0495571770194325
Energy: 2.225590533671068
Energy: 1.9666197244969081
Energy: 2.2205036525052084
Energy: 1.9666197244969081
Energy: 2.225590533638269
Energy: 1.9666197244969081

minimum gb energy = 1.9661328441807628 eV
minimum distance =  2.40724119305273 Angstroms
sigma value = 19


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

Energy: 2.272164912648517
Energy: 2.131548864961831
Energy: 2.2746740438197666
Energy: 2.1315488649610526
Energy: 2.272164912648517
Energy: 2.131548864961831
Energy: 2.262789236388761
Energy: 2.2095900071794436
Energy: 2.2579885616103783
Energy: 2.2095900071794436
Energy: 2.262789236388761
Energy: 2.209590007180222
Energy: 2.0985793328361835
Energy: 2.091336979578669
Energy: 2.1213437142707177
Energy: 2.091336979579448
Energy: 2.0985793328361835
Energy: 2.091336979578669
Energy: 2.1472734921334884
Energy: 2.071090514805989
Energy: 2.3944788563183335
Energy: 2.0710905148067678
Energy: 2.1472734921334884
Energy: 2.0710905148067678
Energy: 2.152139279268402
Energy: 2.1148222314150953
Energy: 2.246586978215611
Energy: 2.1148222314166536
Energy: 2.152139279268402
Energy: 2.114822231415874
Energy: 2.3158016431302486
Energy: 2.1147086543665905
Energy: 2.15216667596353
Energy: 2.1147086543658116
Energy: 2.3158016431302486
Energy: 2.1147086543658116
Energy: 2.394801834830082
Energy: 2.071075882141287
Energy: 2.142924629727809
Energy: 2.071075882141287
Energy: 2.394801834657234
Energy: 2.0710758821405086
Energy: 2.1394955619089995
Energy: 2.091703207942873
Energy: 2.0985671659409157
Energy: 2.091703207942873
Energy: 2.1394955619089995
Energy: 2.091703207942873
Energy: 2.2577728199578964
Energy: 2.2096798070916783
Energy: 2.2627507838045617
Energy: 2.2096798070924573
Energy: 2.2577728199586757
Energy: 2.2096798070916783
Energy: 2.49210137376607
Energy: 2.131548864961831
Energy: 2.272164912648517
Energy: 2.13154886496261
Energy: 2.49210137376607
Energy: 2.1315488649610526
Energy: 2.257988561604147
Energy: 2.2095900071794436
Energy: 2.262789236388761
Energy: 2.2095900071794436
Energy: 2.2579885616095994
Energy: 2.209590007180222
Energy: 2.1213437142722755
Energy: 2.091336979578669
Energy: 2.0985793328361835
Energy: 2.091336979578669
Energy: 2.1213437142707177
Energy: 2.091336979579448
Energy: 2.3944788563159967
Energy: 2.071090514805989
Energy: 2.1414771315309906
Energy: 2.0710905148067678
Energy: 2.394478856323786
Energy: 2.0710905148067678
Energy: 2.1996326494862615
Energy: 2.114822231415874
Energy: 2.152139279268402
Energy: 2.1148222314166536
Energy: 2.1996326494870404
Energy: 2.114822231415874
Energy: 2.15216667596353
Energy: 2.1147086543658116
Energy: 2.2670421085538286
Energy: 2.1147086543665905
Energy: 2.15216667596353
Energy: 2.1147086543665905
Energy: 2.1553955151652238
Energy: 2.071075882141287
Energy: 2.3948018349133906
Energy: 2.071075882141287
Energy: 2.1553955151652238
Energy: 2.071075882141287
Energy: 2.0985671659409157
Energy: 2.091703207942873
Energy: 2.13949556190822
Energy: 2.091703207942873
Energy: 2.0985671659409157
Energy: 2.091703207942873
Energy: 2.262750783803783
Energy: 2.2096798070916783
Energy: 2.2577728199586757
Energy: 2.209679807090899
Energy: 2.2627507838045617
Energy: 2.2096798070916783
Energy: 2.272164912648517
Energy: 2.131548864960273
Energy: 2.385315477705531
Energy: 2.13154886496261
Energy: 2.272164912648517
Energy: 2.131548864961831
Energy: 2.262789236388761
Energy: 2.2095900071794436
Energy: 2.2579885616064836
Energy: 2.2095900071794436
Energy: 2.2627892363879822
Energy: 2.2095900071794436
Energy: 2.0985793328361835
Energy: 2.091336979578669
Energy: 2.121343714271497
Energy: 2.091336979578669
Energy: 2.0985793328361835
Energy: 2.091336979578669
Energy: 2.141477131454692
Energy: 2.071090514805989
Energy: 2.3944788563175545
Energy: 2.0710905148067678
Energy: 2.141477131474944
Energy: 2.0710905148067678
Energy: 2.152139279268402
Energy: 2.114822231415874
Energy: 2.1996326494862615
Energy: 2.1148222314150953
Energy: 2.152139279268402
Energy: 2.1148222314150953
Energy: 2.315801643131027
Energy: 2.1147086543658116
Energy: 2.15216667596353
Energy: 2.1147086543658116
Energy: 2.315801643131027
Energy: 2.1147086543658116
Energy: 2.394801834634645
Energy: 2.071075882141287
Energy: 2.151986733845482
Energy: 2.071075882141287
Energy: 2.3948018343691766
Energy: 2.071075882141287
Energy: 2.13949556190822
Energy: 2.091703207942873
Energy: 2.098567165941695
Energy: 2.091703207942873
Energy: 2.1394955619089995
Energy: 2.091703207942873
Energy: 2.2577728199586757
Energy: 2.2096798070916783
Energy: 2.2627507838045617
Energy: 2.2096798070916783
Energy: 2.2577728199578964
Energy: 2.2096798070916783
Energy: 2.3658434061357267
Energy: 2.1315488649610526
Energy: 2.272164912648517
Energy: 2.13154886496261
Energy: 2.3658434061357267
Energy: 2.1315488649610526
Energy: 2.2579885616103783
Energy: 2.2095900071794436
Energy: 2.262789236388761
Energy: 2.2095900071794436
Energy: 2.257988561611936
Energy: 2.2095900071794436
Energy: 2.121343714271497
Energy: 2.091336979578669
Energy: 2.0985793328361835
Energy: 2.091336979579448
Energy: 2.121343714271497
Energy: 2.091336979579448

minimum gb energy = 2.0710758821405086 eV
minimum distance =  2.41011165251973 Angstroms
sigma value = 27


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

Energy: 1.9580633187288194
Energy: 1.9541204550776314
Energy: 2.5266112072286764
Energy: 1.9541204550795395
Energy: 1.9580633187288194
Energy: 1.9541204550795395
Energy: 1.9175973860223818
Energy: 2.021364101094247
Energy: 2.0050217258849123
Energy: 2.021364101094247
Energy: 1.9175973860223818
Energy: 2.021364101094247
Energy: 1.9700363364072464
Energy: 2.2057362818866912
Energy: 2.1379522508926767
Energy: 2.2057362818847834
Energy: 1.9700363364072464
Energy: 2.2057362818866912
Energy: 2.2167547637289853
Energy: 1.9580604902575842
Energy: 2.26241762621003
Energy: 1.9580604902556762
Energy: 2.2167547637099485
Energy: 1.9580604902556762
Energy: 2.0031910088029052
Energy: 1.9543293421319654
Energy: 2.4097082687706237
Energy: 1.9543293421319654
Energy: 2.0031910088029052
Energy: 1.9543293421319654
Energy: 1.9797139298513127
Energy: 2.204862670681019
Energy: 2.006460325662041
Energy: 2.2048626706829273
Energy: 1.9797139298513127
Energy: 2.204862670681019
Energy: 2.0023604746795027
Energy: 2.0088082336380433
Energy: 1.9703028965874738
Energy: 2.0088082336380433
Energy: 2.0023604746795027
Energy: 2.0088082336380433
Energy: 1.958208337254465
Energy: 1.9585980828269267
Energy: 2.2406329604635102
Energy: 1.9585980828269267
Energy: 1.958208337254465
Energy: 1.9585980828269267
Energy: 1.969919964607091
Energy: 1.9560616859705096
Energy: 2.211290841505265
Energy: 1.9560616859705096
Energy: 1.969919964607091
Energy: 1.9560616859705096
Energy: 1.9702270160622481
Energy: 2.2040201403061026
Energy: 1.9700026226008998
Energy: 2.2040201403061026
Energy: 1.970227016064156
Energy: 2.2040201403061026
Energy: 2.3902466630451658
Energy: 1.9561143841055708
Energy: 1.96951003789165
Energy: 1.9561143841055708
Energy: 2.3902466630451658
Energy: 1.9561143841055708
Energy: 2.2107816992339964
Energy: 1.9586347365317427
Energy: 1.9582494896101377
Energy: 1.9586347365298347
Energy: 2.210781700639546
Energy: 1.9586347365298347

minimum gb energy = 1.9175973860223818 eV
minimum distance =  2.44175250750881 Angstroms
sigma value = 9


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

Energy: 2.3220820643564117
Energy: 2.260187397275156
Energy: 2.2140322284838887
Energy: 2.260187397275156
Energy: 2.3220820643558757
Energy: 2.260187397275156
Energy: 2.1517540938632687
Energy: 2.1531865490174384
Energy: 2.038363214099407
Energy: 2.183141489874485
Energy: 2.1517540938632687
Energy: 2.1531865490185105
Energy: 1.9965574805663857
Energy: 2.197795650746806
Energy: 2.034942286869662
Energy: 2.197795650746806
Energy: 1.9965574805663857
Energy: 2.197795650746806
Energy: 2.0154583544793083
Energy: 2.141204466669946
Energy: 2.2082947838964464
Energy: 2.1412044666710184
Energy: 2.0154583544798443
Energy: 2.1412044666704824
Energy: 2.012024902600941
Energy: 2.141016221931963
Energy: 2.2020546427211514
Energy: 2.141016221931963
Energy: 2.012024902600405
Energy: 2.141016221931427
Energy: 1.9781331132527986
Energy: 2.1370336462677653
Energy: 2.0383544181672404
Energy: 2.1370336462677653
Energy: 1.9781331132527986
Energy: 2.1225763849608614
Energy: 2.2881920997391423
Energy: 2.165512953077015
Energy: 2.125337195403452
Energy: 2.1655129530764796
Energy: 2.2881920997386063
Energy: 2.1655129530775516
Energy: 2.1105636781831163
Energy: 2.142017832448613
Energy: 2.056896705010077
Energy: 2.142017832448613
Energy: 2.11056367818258
Energy: 2.1420178324491492
Energy: 2.1462918002030893
Energy: 2.2826443590117003
Energy: 2.14057542395709
Energy: 2.2826443590122367
Energy: 2.1462918002030893
Energy: 2.2826443590122367
Energy: 2.1225805316474617
Energy: 2.2202892985813145
Energy: 2.0130448479039673
Energy: 2.220289298580778
Energy: 2.122580531647998
Energy: 2.220289298580778
Energy: 2.2431107147386684
Energy: 2.1525357066519537
Energy: 2.143475642512502
Energy: 2.1525357066519537
Energy: 2.2431107147397404
Energy: 2.1525357066524897
Energy: 2.0128741433876765
Energy: 2.144793948365309
Energy: 1.999538706978298
Energy: 2.144793948365309
Energy: 2.012874143387141
Energy: 2.144793948365309
Energy: 1.9809405565626705
Energy: 2.0995386031731487
Energy: 2.0351586774064114
Energy: 2.0995386031720766
Energy: 1.9809405565626705
Energy: 2.0995386031726126
Energy: 2.290969124840916
Energy: 2.2369907935036126
Energy: 2.3464901999675583
Energy: 2.236990793503077
Energy: 2.2909691248414523
Energy: 2.236990793503077
Energy: 2.0200609367552795
Energy: 2.208315103941773
Energy: 2.0549812709479967
Energy: 2.2083151039412363
Energy: 2.020060936753135
Energy: 2.208315103941773
Energy: 2.1789889815178842
Energy: 2.128596260822877
Energy: 2.010955256088671
Energy: 2.128596260822877
Energy: 2.1789889815184202
Energy: 2.128596260822877
Energy: 2.1316754789021144
Energy: 2.2030377821770775
Energy: 2.0131226208920565
Energy: 2.2030377821770775
Energy: 2.1316754789021144
Energy: 2.2030377821770775
Energy: 2.014407409304954
Energy: 2.1038289480763295
Energy: 2.0122267775576868
Energy: 2.103828948075793
Energy: 2.0144074093054902
Energy: 2.1038289480747214
Energy: 2.118655382815682
Energy: 2.2350629082264004
Energy: 1.9759073839136667
Energy: 2.2350629082269373
Energy: 2.1186553828151458
Energy: 2.2350629082264004
Energy: 2.0239198174379145
Energy: 2.277064311628464
Energy: 2.024782737630143
Energy: 2.277064311628464
Energy: 2.0239198174395225
Energy: 2.300043737098638
Energy: 1.9751588003563323
Energy: 2.2357945988165953
Energy: 2.1236665335182683
Energy: 2.2357945988160597
Energy: 1.9751588003557963
Energy: 2.2357945988160597
Energy: 2.033392558150825
Energy: 2.104413359941653
Energy: 2.014211843347391
Energy: 2.104413359942189
Energy: 2.033392558150825
Energy: 2.104413359942189
Energy: 2.0137830122380858
Energy: 2.203011888852286
Energy: 2.13208377900654
Energy: 2.203011888852286
Energy: 2.013783012239158
Energy: 2.203011888852822
Energy: 2.0103828570904625
Energy: 2.128335873630909
Energy: 2.1790639785677977
Energy: 2.128335873629837
Energy: 2.0103828570909985
Energy: 2.1283358736282287
Energy: 2.0539015686014803
Energy: 2.208623534825336
Energy: 2.0233196750695903
Energy: 2.208623534825336
Energy: 2.053901568600944
Energy: 2.2086235348258723
Energy: 2.344779759048548
Energy: 2.2372003397984237
Energy: 2.2907181765199747
Energy: 2.2372003397984237
Energy: 2.344779759049084
Energy: 2.2372003397984237
Energy: 2.034916092507701
Energy: 2.0997311328371304
Energy: 1.9814849401645094
Energy: 2.0997311328376664
Energy: 2.034916092507701
Energy: 2.0997311328365944
Energy: 1.9998055129436207
Energy: 2.1447277013020116
Energy: 2.01331392347947
Energy: 2.1447277013009396
Energy: 1.999805512996157
Energy: 2.1447277013009396
Energy: 2.0510256173585852
Energy: 2.1422484817884864
Energy: 2.1017059688388047
Energy: 2.1422484817895584
Energy: 2.0510256173564407
Energy: 2.1422484817911664
Energy: 2.012469590467258
Energy: 2.2205263078168263
Energy: 2.122447067700198
Energy: 2.2205263078168263
Energy: 2.012469590467258
Energy: 2.2205263078168263
Energy: 2.1204700653650965
Energy: 2.2826443590127723
Energy: 2.146459889136809
Energy: 2.2826443590133088
Energy: 2.1204700653656325
Energy: 2.2826443590127723
Energy: 2.0645290012789053
Energy: 2.141809499959253
Energy: 2.1103050033817974
Energy: 2.1418094999587174
Energy: 2.064528954743124
Energy: 2.1418094999587174
Energy: 2.1439962800510597
Energy: 2.1654631788498455
Energy: 2.5056330219314313
Energy: 2.1654631788487735
Energy: 2.143996280048916
Energy: 2.1654631788493095
Energy: 2.035461974775112
Energy: 2.0992126186419435
Energy: 1.9781382686895608
Energy: 2.0992126186430156
Energy: 2.035461974777792
Energy: 2.0992126186430156
Energy: 2.233893563248028
Energy: 2.1409546080255892
Energy: 2.0120183893279857
Energy: 2.1409546080245168
Energy: 2.233893563237306
Energy: 2.1409546080255892
Energy: 2.205332476758536
Energy: 2.1414317730845163
Energy: 2.0153766536659914
Energy: 2.1414317730839803
Energy: 2.205332476759609
Energy: 2.1414317730839803
Energy: 2.0120927954571353
Energy: 2.197731934873419
Energy: 1.9971860243387638
Energy: 2.197731934873419
Energy: 2.0120927954539187
Energy: 2.1977319348728823
Energy: 2.0354412966698576
Energy: 2.153186549017974
Energy: 2.1525255873100555
Energy: 2.153186549017974
Energy: 2.0354412967111366
Energy: 2.153186549017974
Energy: 2.3537685031341686
Energy: 2.260187397275156
Energy: 2.322082064356948
Energy: 2.2601873972746196
Energy: 2.3537685031384576
Energy: 2.2601873972746196
Energy: 2.038363214105304
Energy: 2.2117253701430535
Energy: 2.1517540938632687
Energy: 2.21172537014359
Energy: 2.0383632141154893
Energy: 2.21172537014359
Energy: 2.034942286874487
Energy: 2.197795650746806
Energy: 1.9965574805663857
Energy: 2.1977956507473424
Energy: 2.034942286867566
Energy: 2.1977956507473424
Energy: 2.2082947838964464
Energy: 2.141204466669946
Energy: 2.0154583544793083
Energy: 2.1412044666704824
Energy: 2.2082947838964464
Energy: 2.1412044666704824
Energy: 2.202054433820561
Energy: 2.141016221931963
Energy: 2.012024902600405
Energy: 2.141016221932499
Energy: 2.2020545305187014
Energy: 2.1410162219330355

minimum gb energy = 1.9751588003557963 eV
minimum distance =  2.42137069563483 Angstroms
sigma value = 57


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

Energy: 1.991012313245396
Energy: 2.0926958540104366
Energy: 2.1289344007656985
Energy: 2.0926958540104366
Energy: 1.991012313245396
Energy: 2.0926958540104366
Energy: 2.4060190232190592
Energy: 2.1405154585926387
Energy: 1.7524895865231067
Energy: 2.1405154585926387
Energy: 2.4060190232190592
Energy: 2.1405154585926387
Energy: 1.7122756710545333
Energy: 2.0249740874379984
Energy: 1.7522661212941582
Energy: 2.0249740874379984
Energy: 1.7122756710545333
Energy: 2.0249740874379984
Energy: 1.7520534207881924
Energy: 2.063988096554864
Energy: 1.8225589720822155
Energy: 2.0639880965536435
Energy: 1.7520534207881924
Energy: 2.0639880965536435
Energy: 1.7513638675721441
Energy: 2.0898809455933383
Energy: 1.7506006405049523
Energy: 2.0898809455933383
Energy: 1.7513638675721441
Energy: 2.0898809455921175
Energy: 2.4695644473485587
Energy: 2.030757438035088
Energy: 1.90550241031731
Energy: 2.030757438035088
Energy: 2.4695644473497786
Energy: 2.030757438035088
Energy: 2.469107874975933
Energy: 2.026198486708254
Energy: 1.9054209313461095
Energy: 2.0261984867094744
Energy: 2.469107874975933
Energy: 2.026198486708254
Energy: 1.7511153352395683
Energy: 2.0896821016061593
Energy: 1.8217558384911388
Energy: 2.0896821016061593
Energy: 1.7511153352395683
Energy: 2.0896821016061593
Energy: 1.7519082045890082
Energy: 2.0638828038870343
Energy: 1.8940045238014105
Energy: 2.0638828038870343
Energy: 1.7519082045890082
Energy: 2.0638828038870343
Energy: 1.7123839721300882
Energy: 2.0250384992886565
Energy: 1.7551052161338494
Energy: 2.0250384992886565
Energy: 1.7123839721300882
Energy: 2.0250384992886565
Energy: 2.405637921745657
Energy: 2.1405154585926387
Energy: 1.824972816885122
Energy: 2.1405154585926387
Energy: 2.405637921745657
Energy: 2.1405154585926387
Energy: 1.991012313245396
Energy: 2.0926958540104366
Energy: 2.2237252192827075
Energy: 2.092695854009216
Energy: 1.991012313245396
Energy: 2.092695854009216
Energy: 2.4060190232190592
Energy: 2.1405154585926387
Energy: 1.7524895865231067
Energy: 2.1405154585926387
Energy: 2.4060190232190592
Energy: 2.1405154585926387
Energy: 1.712275671053313
Energy: 2.024974087436778
Energy: 1.7522661213173443
Energy: 2.024974087436778
Energy: 1.7122756710545333
Energy: 2.0249740874379984
Energy: 1.7520534207881924
Energy: 2.0639880965536435
Energy: 1.7703202599828258
Energy: 2.0639880965524227
Energy: 1.752053420786972
Energy: 2.0639880965536435
Energy: 1.7513638675721441
Energy: 2.0898809455933383
Energy: 1.7506006404195293
Energy: 2.0898809455933383
Energy: 1.7513638675721441
Energy: 2.0898809455921175
Energy: 2.4695644473485587
Energy: 2.030757438035088
Energy: 1.90550241031731
Energy: 2.030757438035088
Energy: 2.4695644473485587
Energy: 2.030757438035088
Energy: 2.469107874975933
Energy: 2.026198486708254
Energy: 1.9054209313497705
Energy: 2.0261984867094744
Energy: 2.469107874977154
Energy: 2.0261984867094744
Energy: 1.7511153352383482
Energy: 2.0896821016061593
Energy: 1.771332283801465
Energy: 2.0896821016049394
Energy: 1.7511153352383482
Energy: 2.0896821016061593

minimum gb energy = 1.712275671053313 eV
minimum distance =  2.4136335707851 Angstroms
sigma value = 11


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

Energy: 1.7937566648257213
Energy: 2.0276237795695473
Energy: 1.8838069346743695
Energy: 2.0276237795695473
Energy: 1.7937566648248273
Energy: 2.0276237795704413
Energy: 2.4718890476127635
Energy: 1.9417540056136495
Energy: 1.5862545171314866
Energy: 1.9417540166343026
Energy: 2.4718890476127635
Energy: 1.9417540173991672
Energy: 1.7646777060542547
Energy: 1.8984184830922952
Energy: 1.8013559393897491
Energy: 1.8984184830922952
Energy: 1.7646777060533605
Energy: 1.8984184830922952
Energy: 1.846049707631362
Energy: 1.8921433363992868
Energy: 1.5871519160174077
Energy: 1.892143336397499
Energy: 1.846049707631362
Energy: 1.8921433364010747
Energy: 1.5857496410783747
Energy: 2.0250473933188684
Energy: 1.7009073624775684
Energy: 2.0250473933152926
Energy: 1.5857496410783747
Energy: 2.0250473933152926
Energy: 1.6124050435818145
Energy: 1.9922671628645363
Energy: 1.586671014553656
Energy: 1.9922671628645363
Energy: 1.6124050435818145
Energy: 1.9922671628645363
Energy: 1.6101100739529635
Energy: 2.037955991826616
Energy: 1.5875039124648602
Energy: 2.0379559918257226
Energy: 1.6101100739529635
Energy: 2.0379559918257226
Energy: 2.139849535908715
Energy: 2.0693133688596097
Energy: 1.6295554094535896
Energy: 2.0693133688587158
Energy: 2.139849535908715
Energy: 2.0693133688587158
Energy: 2.141062701591463
Energy: 2.073618983266747
Energy: 2.0889761385535612
Energy: 2.073618983264959
Energy: 2.141062701590569
Energy: 2.073618983264959
Energy: 1.6125996462381629
Energy: 1.8999171744787624
Energy: 1.5866231320891622
Energy: 1.8999171744805503
Energy: 1.612599646237269
Energy: 1.8999171744823384
Energy: 1.6111678278360215
Energy: 1.9899387673331062
Energy: 1.5868248120547186
Energy: 1.9899387673339999
Energy: 1.611167827836915
Energy: 1.9899387673331062
Energy: 1.587613337398145
Energy: 2.0716176210663253
Energy: 1.5876170395502174
Energy: 2.0716176210654313
Energy: 1.5876133373972512
Energy: 2.0716176210654313
Energy: 2.1397318123388733
Energy: 1.8913745772839965
Energy: 1.6997799643897809
Energy: 1.891374577287572
Energy: 2.1397318123424487
Energy: 1.8913745772839965
Energy: 1.7674326108856915
Energy: 1.9236793847689577
Energy: 1.6113802353407052
Energy: 1.9236793847698515
Energy: 1.7674326108856915
Energy: 1.9236793847698515
Energy: 2.4705840825617766
Energy: 1.9411099329742787
Energy: 1.5860327166112085
Energy: 1.9411099329733847
Energy: 2.4705840825608827
Energy: 1.9411099329733847
Energy: 1.7970375106094263
Energy: 2.028795795250539
Energy: 1.8781071972593308
Energy: 2.028795795251433
Energy: 1.7970375106085323
Energy: 2.028795795250539
Energy: 2.5035021904113197
Energy: 1.9441582998196116
Energy: 1.6103964423813564
Energy: 1.9441582998240814
Energy: 2.5035021904113197
Energy: 1.9441582998222935
Energy: 1.7672488166101876
Energy: 1.917019033100974
Energy: 1.6663004366940843
Energy: 1.9170190331000803
Energy: 1.7672488166101876
Energy: 1.9170190331000803
Energy: 1.8515778853965685
Energy: 1.9154054714216142
Energy: 1.5866295507273964
Energy: 1.9154054714171442
Energy: 1.8515778853974623
Energy: 1.9154054714180384
Energy: 1.5874422058721709
Energy: 2.0284952778363605
Energy: 1.612734481081945
Energy: 2.028495277835466
Energy: 1.5874422058721709
Energy: 2.028495277835466
Energy: 2.2444174516181943
Energy: 2.004657912185163
Energy: 1.7666730290223396
Energy: 2.004657912185163
Energy: 2.2444174516173
Energy: 2.004657912186057
Energy: 1.6124832892813985
Energy: 2.0311964645873135
Energy: 1.5927777710302609
Energy: 2.031196464586419
Energy: 1.6124832892813985
Energy: 2.0311964645882075
Energy: 2.142640758630847
Energy: 2.03880333102316
Energy: 1.8089171288360901
Energy: 2.0388033310240536
Energy: 2.142640758632635
Energy: 2.0388033310240536
Energy: 1.5883467570431564
Energy: 2.087072601954832
Energy: 2.088710512653277
Energy: 2.0870726019530443
Energy: 1.5883467570431564
Energy: 2.087072601953938
Energy: 1.619608104993775
Energy: 1.9030106507741016
Energy: 1.7666352401566856
Energy: 1.9030106507687379
Energy: 1.619608104992881
Energy: 1.9030106507758893
Energy: 1.6128104999638688
Energy: 1.991500613104875
Energy: 1.5873189961183418
Energy: 1.9915006131066626
Energy: 1.6128104999638688
Energy: 1.9915006131057689

minimum gb energy = 1.5857496410783747 eV
minimum distance =  2.45923410629413 Angstroms
sigma value = 41


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

Energy: 2.2437972377394266
Energy: 1.9469675098354609
Energy: 1.5594866879655276
Energy: 1.9469675098354609
Energy: 2.2437972377401314
Energy: 1.9469675098354609
Energy: 2.4685168343470605
Energy: 1.7974457561114834
Energy: 1.4616303291391302
Energy: 1.7974457561107788
Energy: 2.468516834347765
Energy: 1.797445756112188
Energy: 1.6090423974836954
Energy: 1.8654707919471254
Energy: 1.4929030301918245
Energy: 1.8654707919464208
Energy: 1.609042397482991
Energy: 1.8654707919464208
Energy: 2.191279608779245
Energy: 1.7483609435124319
Energy: 1.4611361338631443
Energy: 1.7483609435124319
Energy: 2.1912796087785407
Energy: 1.7483609435117275
Energy: 1.5913526698103204
Energy: 1.7448346392145593
Energy: 1.4926755308062463
Energy: 1.7448346392145593
Energy: 1.5913526698103204
Energy: 1.7448346392110365
Energy: 1.9168482911172884
Energy: 1.8820458004903422
Energy: 1.4614642233554769
Energy: 1.8820458004896374
Energy: 1.9168482911172884
Energy: 1.8820458004896374
Energy: 1.4597375038708438
Energy: 1.9091854697259967
Energy: 1.460121255629926
Energy: 1.9091854697259967
Energy: 1.4597375038701392
Energy: 1.9091854697259967
Energy: 2.031479312628629
Energy: 1.9362981653742404
Energy: 1.491727195926427
Energy: 1.9362981653629676
Energy: 2.031479312628629
Energy: 1.9362981653636722
Energy: 1.4929360441599762
Energy: 1.8444295909483135
Energy: 1.867674849605025
Energy: 1.8444295909462
Energy: 1.4929360441592716
Energy: 1.8444295909483135
Energy: 1.9265518578612493
Energy: 1.9331348965239423
Energy: 1.8798571622692912
Energy: 1.9331348965232378
Energy: 1.9265518578612493
Energy: 1.9331348965232378
Energy: 1.9219157564166636
Energy: 1.9062081782563154
Energy: 1.8791440501485368
Energy: 1.9062081782563154
Energy: 1.9219157564159588
Energy: 1.9062081782570197
Energy: 1.4980550989030426
Energy: 1.9423716475048192
Energy: 1.4914530453855637
Energy: 1.8979344744814601
Energy: 1.498055098902338
Energy: 1.9799219409440292
Energy: 1.493387268095923
Energy: 1.8947383447743429
Energy: 1.7768753782668671
Energy: 1.8947383447743429
Energy: 1.4933872680966276
Energy: 1.8947383447743429
Energy: 1.4643964743738387
Energy: 1.863549688806059
Energy: 1.4618398113667053
Energy: 1.863549688807468
Energy: 1.4643964743738387
Energy: 1.8635496888067637
Energy: 1.9213343124910538
Energy: 1.8402760643268874
Energy: 1.4615730111581504
Energy: 1.8402760643282965
Energy: 1.9213343124917586
Energy: 1.8402760643275917
Energy: 1.596214957098948
Energy: 1.8640628072417638
Energy: 1.4611164477440746
Energy: 1.8640628072481047
Energy: 1.5962149570982436
Energy: 1.9423241800128042
Energy: 1.8695658470814873
Energy: 1.876462081506991
Energy: 1.5187750286749577
Energy: 1.8764620815076958
Energy: 1.8695658470828962
Energy: 1.8764620815084005
Energy: 1.613709902648123
Energy: 1.8982711924136644
Energy: 1.494576949354343
Energy: 1.8982711924143691
Energy: 1.613709902648123
Energy: 1.8982711924143691
Energy: 2.4672395769863846
Energy: 1.7942389010028235
Energy: 1.46109368269605
Energy: 1.794238901002119
Energy: 2.4672395769863846
Energy: 1.7942389010042328
Energy: 2.230493353805031
Energy: 1.9479853976822723
Energy: 1.7163050092267955
Energy: 1.8643615607501467
Energy: 2.230493353805736
Energy: 1.976728197998019
Energy: 2.4502938775453313
Energy: 1.7958246488875726
Energy: 1.4925861459986176
Energy: 1.795824648888982
Energy: 2.4502938775453313
Energy: 1.7958246488875726
Energy: 1.613657267092105
Energy: 1.8624873825360517
Energy: 1.5783094475823525
Energy: 1.8624873825360517
Energy: 1.613657267092105
Energy: 1.8624873825360517
Energy: 2.2340454532874663
Energy: 1.737897760863779
Energy: 1.460473745053038
Energy: 1.737897760863779
Energy: 2.2340454532874663
Energy: 1.7378977608630743
Energy: 1.5962838251722475
Energy: 1.8243284158007607
Energy: 1.4964816583092593
Energy: 1.8383549158198835
Energy: 1.596283825171543
Energy: 1.7935847351587182
Energy: 1.707516114799945
Energy: 1.8798935250296245
Energy: 1.5940076986033953
Energy: 1.8798935250303288
Energy: 1.707516114799945
Energy: 1.8798935250310334
Energy: 1.464613389384376
Energy: 1.7948958361246252
Energy: 1.6678505422512295
Energy: 1.7948958361351937
Energy: 1.464613389384376
Energy: 1.7948958361295573
Energy: 2.0303035043041153
Energy: 1.9001860435437494
Energy: 1.6108989898266968
Energy: 1.9001860435444542
Energy: 2.0303035043034106
Energy: 1.9001860435437494
Energy: 1.4982701435904386
Energy: 1.841758012277544
Energy: 1.866132890621755
Energy: 1.8417580122768393
Energy: 1.4982701435904386
Energy: 1.8258792713946894
Energy: 1.9244907100063002
Energy: 1.9338774350851369
Energy: 1.880570625070733
Energy: 1.933877435083728
Energy: 1.9244907100070043
Energy: 1.933877435083728
Energy: 1.462883515473108
Energy: 1.8486067014554435
Energy: 1.8791050135921148
Energy: 1.8823823052700492
Energy: 1.462883515473108
Energy: 1.8486067014561478
Energy: 1.4933512604875812
Energy: 1.9002064859607224
Energy: 1.6106515812579874
Energy: 1.9002064859607224
Energy: 1.4933512604868768
Energy: 1.9002064859607224
Energy: 1.4989677416288854
Energy: 1.8937793190626566
Energy: 1.8654490434120414
Energy: 1.8937793190619518
Energy: 1.4989677416288854
Energy: 1.8937793190619518
Energy: 1.4612117932462116
Energy: 1.8638640164574183
Energy: 1.5932186166551443
Energy: 1.8638640164574183
Energy: 1.4612117932455073
Energy: 1.8638640164581226

minimum gb energy = 1.4597375038701392 eV
minimum distance =  2.43339074368775 Angstroms
sigma value = 33


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

Energy: 1.885350124116132
Energy: 1.74757932492048
Energy: 1.5973150045683147
Energy: 1.7475793249209746
Energy: 1.885350124116132
Energy: 1.747579324921469
Energy: 2.6560307842289697
Energy: 1.5988739233168892
Energy: 1.3053127484396305
Energy: 1.5988739233159002
Energy: 2.656030784228475
Energy: 1.5988739233173836
Energy: 1.8523167094198758
Energy: 1.7236300794563397
Energy: 1.5744629918067035
Energy: 1.723630079457823
Energy: 1.8523167094198758
Energy: 1.7236300794573287
Energy: 2.2150212020733533
Energy: 1.476302242276273
Energy: 1.3049211680007025
Energy: 1.4763022422723173
Energy: 2.215021202073848
Energy: 1.4763022422713283
Energy: 1.417973317223894
Energy: 1.6961977873299912
Energy: 1.3287484205762337
Energy: 1.6961977873294967
Energy: 1.4179733172224105
Energy: 1.6961977873299912
Energy: 2.006346833459125
Energy: 1.6509739708204232
Energy: 1.305037480452898
Energy: 1.6509739708228954
Energy: 2.006346833459125
Energy: 1.6509739708224012
Energy: 1.3940210074675905
Energy: 1.6293410454231942
Energy: 1.3109113053449317
Energy: 1.6293410454241832
Energy: 1.3940210074661072
Energy: 1.6293410454226998
Energy: 1.8126823540121006
Energy: 1.6564330951692898
Energy: 1.311918223200282
Energy: 1.6564330951692898
Energy: 1.8126823540116062
Energy: 1.6564330951702788
Energy: 1.310085814844366
Energy: 1.6986180722155344
Energy: 1.6186662723683967
Energy: 1.6986180722155344
Energy: 1.310085814844366
Energy: 1.6986180722150848
Energy: 1.6243546303453142
Energy: 1.717945451363584
Energy: 1.6021804973023903
Energy: 1.717945451363584
Energy: 1.6243546303453142
Energy: 1.717945451363584
Energy: 1.3046306697750036
Energy: 1.6573405098562484
Energy: 1.6201128952265356
Energy: 1.6573405098483371
Energy: 1.3046306697735202
Energy: 1.6573405098459097
Energy: 2.0581098950612806
Energy: 1.7460811342109592
Energy: 1.6240006428808658
Energy: 1.7460811342114537
Energy: 2.0581098950617753
Energy: 1.7460811342114537
Energy: 1.5986185236843544
Energy: 1.6986238355905732
Energy: 1.992252396358973
Energy: 1.6986238355905732
Energy: 1.5986185236848487
Energy: 1.6986238355905732
Energy: 1.6339101435708736
Energy: 1.7255895624957132
Energy: 2.037730120139532
Energy: 1.7255895624971964
Energy: 1.6339101435708736
Energy: 1.725589562496702
Energy: 1.619917340555568
Energy: 1.6582217814899618
Energy: 2.026930001109653
Energy: 1.6582217814879838
Energy: 1.619917340555568
Energy: 1.6582217814973785
Energy: 1.6065640400672274
Energy: 1.7259138107324434
Energy: 1.6251415450782465
Energy: 1.725913810732938
Energy: 1.6065640400672274
Energy: 1.725913810732938
Energy: 1.5985927197043115
Energy: 1.700574036322471
Energy: 1.9920416942009367
Energy: 1.7005740363219766
Energy: 1.598592719703817
Energy: 1.700574036321482
Energy: 1.3125698372168888
Energy: 1.724876082756333
Energy: 1.6000806508787595
Energy: 1.724876082755344
Energy: 1.3125698372173833
Energy: 1.724876082755344
Energy: 1.6209734503175672
Energy: 1.7045256136689382
Energy: 1.6182599861314826
Energy: 1.704525613668444
Energy: 1.6209734503160842
Energy: 1.704525613668444
Energy: 1.318298647033599
Energy: 1.7302916583189054
Energy: 1.3112891326438951
Energy: 1.7302916583179166
Energy: 1.3182986470340936
Energy: 1.730291658318411
Energy: 1.5985214633110674
Energy: 1.7019772372084294
Energy: 1.529698785262827
Energy: 1.7019772372079351
Energy: 1.5985214633100784
Energy: 1.7019772372074407
Energy: 1.4025191629332348
Energy: 1.724482919447795
Energy: 1.3050399493349547
Energy: 1.724482919448784
Energy: 1.4025191629337292
Energy: 1.7244829194482896
Energy: 2.007465333019694
Energy: 1.7263049728577333
Energy: 1.31315473108058
Energy: 1.7263049728577333
Energy: 2.007465333019694
Energy: 1.7263049728577333
Energy: 1.4257298898067121
Energy: 1.7295346576910469
Energy: 1.304908517180229
Energy: 1.7295346576920356
Energy: 1.4257298898057233
Energy: 1.7295346576910469
Energy: 1.9943810318187791
Energy: 1.6874297785493522
Energy: 1.5354917975668987
Energy: 1.6874297785493522
Energy: 1.9943810318192736
Energy: 1.6874297785493522
Energy: 1.846000573917029
Energy: 1.7350720019021777
Energy: 1.3214062511723506
Energy: 1.735072001902672
Energy: 1.8460005739150511
Energy: 1.7350720019021777
Energy: 2.4316520921009497
Energy: 1.6174805451115337
Energy: 1.3127952146954744
Energy: 1.6174805446143274
Energy: 2.431652092100455
Energy: 1.617480544659773
Energy: 1.881060044525759
Energy: 1.7317385402930623
Energy: 1.620435946516461
Energy: 1.7317385402930623
Energy: 1.881060044525759
Energy: 1.7317385402930623
Energy: 2.2153950812962577
Energy: 1.6569660963199777
Energy: 1.6131843195454438
Energy: 1.6569660963194832
Energy: 2.2153950812972467
Energy: 1.656966096318
Energy: 1.8459997798039354
Energy: 1.7340141623410141
Energy: 1.6636905051919268
Energy: 1.7340141623415086
Energy: 1.8459997798039354
Energy: 1.7340141623410141
Energy: 2.0080110689331074
Energy: 1.5413755472652124
Energy: 1.31243944334901
Energy: 1.5413755472652124
Energy: 2.0080110689340964
Energy: 1.5413755472632344
Energy: 1.4257309032914054
Energy: 1.7011084265198297
Energy: 1.4820560572703423
Energy: 1.7011084265208185
Energy: 1.425730903290911
Energy: 1.7011084265193352
Energy: 1.8116233760632354
Energy: 1.6238439968842238
Energy: 1.3183443884045534
Energy: 1.6238439968832348
Energy: 1.8116233760662024
Energy: 1.6238439968827403
Energy: 1.4038865511120149
Energy: 1.650474320154483
Energy: 1.8421160572457305
Energy: 1.650474320155472
Energy: 1.403886551111026
Energy: 1.650474320153494
Energy: 1.8408394788554538
Energy: 1.6501529882718333
Energy: 1.4020117413001199
Energy: 1.6501529882718333
Energy: 1.8408394788554538
Energy: 1.6501529882708443
Energy: 1.3185371759024258
Energy: 1.6246846587781776
Energy: 1.8077977538701822
Energy: 1.6246846587781776
Energy: 1.3185371759034148
Energy: 1.6246846587776833
Energy: 1.4796099532229914
Energy: 1.7010927274061285
Energy: 1.4255825361775134
Energy: 1.7010927274061285
Energy: 1.4796099532234859
Energy: 1.7010927274061285
Energy: 1.3130489110390593
Energy: 1.5331580438748764
Energy: 2.0077346383326597
Energy: 1.5331580431918417
Energy: 1.3130489110385648
Energy: 1.5331580432412881
Energy: 1.6636905051924213
Energy: 1.7350928721782883
Energy: 1.846366126416764
Energy: 1.7350928721782883
Energy: 1.6636905051943995
Energy: 1.7350928721782883
Energy: 1.4585117275772483
Energy: 1.657189400126566
Energy: 2.215225350272789
Energy: 1.6571894001389276
Energy: 1.458511727574776
Energy: 1.6571894001334886
Energy: 1.622492069352949
Energy: 1.731380833524237
Energy: 1.8799871221208344
Energy: 1.731380833524237
Energy: 1.622492069477464
Energy: 1.731380833524237
Energy: 1.3136372443240996
Energy: 1.621051881440552
Energy: 2.4336593800508006
Energy: 1.6210518820059492
Energy: 1.3136372443231106
Energy: 1.6210518818092425
Energy: 1.3210974782513216
Energy: 1.7349830997209295
Energy: 1.8463900715112405
Energy: 1.734983099720435
Energy: 1.3210974782508271
Energy: 1.7349830997209295
Energy: 1.454541702105662
Energy: 1.687211412215773
Energy: 1.9948673006288509
Energy: 1.687211412216762
Energy: 1.4545417021041787
Energy: 1.6872114122162676
Energy: 1.3049040712687905
Energy: 1.7296771701928135
Energy: 1.4254802644221733
Energy: 1.7296771701928135
Energy: 1.3049040712687905
Energy: 1.7296771701928135
Energy: 1.312806102114557
Energy: 1.7263049728567443
Energy: 2.0072847809384444
Energy: 1.7263049728572388
Energy: 1.3128061021130735
Energy: 1.7263049728572388
Energy: 1.3058956737937863
Energy: 1.7244352054230194
Energy: 1.4028344416112621
Energy: 1.724435205423514
Energy: 1.3058956737942808
Energy: 1.7244352054240084

minimum gb energy = 1.3046306697735202 eV
minimum distance =  2.48810275847087 Angstroms
sigma value = 67


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

Energy: 0.39939002015648967
Energy: 0.40081034006686256
Energy: 2.6613802930009065
Energy: 0.4008103400661866
Energy: 0.3993900201568276
Energy: 0.4008103400665246
Energy: 0.43397896163900007
Energy: 1.2199347509235472
Energy: 1.0402568842645001
Energy: 1.219934750923247
Energy: 0.43397896163802363
Energy: 1.2199347509235472
Energy: 0.39939002015648967
Energy: 0.400810340067163
Energy: 2.6242650056983794
Energy: 0.4008103400665246
Energy: 0.39939002015648967
Energy: 0.4008103400665246
Energy: 0.43397896163866206
Energy: 1.219934750923247
Energy: 1.040256884264838
Energy: 1.2199347509235472
Energy: 0.43397896163900007
Energy: 1.2199347509235472
Energy: 0.3993900201568276
Energy: 0.40081034006686256
Energy: 2.6242650056977035
Energy: 0.4008103400665246
Energy: 0.39939002015648967
Energy: 0.4008103400665246
Energy: 0.43397896163866206
Energy: 1.2199347509235472
Energy: 1.0402568842651763
Energy: 1.219934750922571
Energy: 0.43397896163802363
Energy: 1.219934750922909
Energy: 0.39939002015615166
Energy: 0.400810340067163
Energy: 2.4931209523519553
Energy: 0.4008103400665246
Energy: 0.39939002015615166
Energy: 0.4008103400665246

minimum gb energy = 0.39939002015615166 eV
minimum distance =  2.65493189011074 Angstroms
sigma value = 3


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

Energy: 2.1480876904486763
Energy: 1.7373506744396605
Energy: 1.5662928617134384
Energy: 1.7373506744396605
Energy: 2.1480876904495756
Energy: 1.7373506744401512
Energy: 2.5820246371742357
Energy: 1.3014251228418212
Energy: 1.3224854910755706
Energy: 1.30142512284223
Energy: 2.5820246371742357
Energy: 1.3014251228418212
Energy: 2.0229326644686343
Energy: 1.712098865629552
Energy: 1.553266402228878
Energy: 1.712098865630942
Energy: 2.022932664469043
Energy: 1.712098865630942
Energy: 2.4266659175249488
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Energy: 1.6842930660655884
Energy: 1.692743260553905
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Energy: 1.6842930660650977
Energy: 1.6927432605530057
Energy: 1.2858200077426694
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Energy: 1.2858200077421786
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Energy: 1.6834443533074792
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Energy: 1.6043429014612594
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Energy: 2.0366677910715323
Energy: 1.7042241400545914
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Energy: 2.040998181516853
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Energy: 1.3383286257454177
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Energy: 1.3676346811742515
Energy: 1.6891990309039242
Energy: 1.9976804496290286
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Energy: 1.3676346811738427
Energy: 1.689199030904415
Energy: 1.2888176271852214
Energy: 1.7142284678790227
Energy: 1.7058334656646512
Energy: 1.7142284678767334
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Energy: 1.7142284678763247
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Energy: 1.6657209136133213
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Energy: 1.6169640778402194
Energy: 1.6544853891846076
Energy: 1.6269917579408064
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Energy: 1.331896364527412
Energy: 1.7108492237233406
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Energy: 1.7108492237233406
Energy: 1.9994547227015607
Energy: 1.6946641399317444
Energy: 1.293130822546235
Energy: 1.6946641399312536
Energy: 1.9994547227010697
Energy: 1.6946641399321531
Energy: 2.013713147897773
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Energy: 1.2858790411234386
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Energy: 2.0137131479004715
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Energy: 2.010121621406389
Energy: 1.6994960776226054
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Energy: 1.699496077621706
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Energy: 1.710023466582318
Energy: 1.2840712936675773
Energy: 1.7100234665818275
Energy: 2.039973013824873
Energy: 1.7100234665814185
Energy: 2.397828485949573
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Energy: 1.2929295045926144
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Energy: 1.2957190236109781
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Energy: 2.0096334782805285
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Energy: 1.6498402978082243
Energy: 1.6968740800086564
Energy: 1.2842381166639207
Energy: 1.6968740800086564
Energy: 1.6498402978082243
Energy: 1.6968740800086564
Energy: 1.9992941473617345
Energy: 1.7084697765174315
Energy: 1.3380067648343175
Energy: 1.708469776518331
Energy: 1.999294147361244
Energy: 1.7084697765174315
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Energy: 1.645046702030685
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Energy: 1.6450467020315842
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Energy: 1.6450467020324837
Energy: 1.6232378156004812
Energy: 1.6559932130861288
Energy: 1.3553508367916627
Energy: 1.6559932130852293
Energy: 1.6232378156004812
Energy: 1.6559932130848205
Energy: 1.3065807545974852
Energy: 1.6533668150579581
Energy: 1.6296113452495156
Energy: 1.6533668150579581
Energy: 1.306580754598875
Energy: 1.6533668150570588
Energy: 1.617039200870113
Energy: 1.709103663953537
Energy: 1.6819944087364713
Energy: 1.7091036639531285
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Energy: 1.709103663953537
Energy: 1.2881924242996927
Energy: 1.561246535812938
Energy: 2.0050541799669332
Energy: 1.5612465358116296
Energy: 1.2881924242996927
Energy: 1.561246535812938
Energy: 1.2856400522972635
Energy: 1.6562911055530154
Energy: 1.7009629134832405
Energy: 1.6562911055521978
Energy: 1.2856400522968545
Energy: 1.6562911055530154
Energy: 1.3374232523201752
Energy: 1.5838951812759314
Energy: 2.0006664847430007
Energy: 1.583895181275441
Energy: 1.3374232523183762
Energy: 1.5838951812759314
Energy: 1.2842942253183995
Energy: 1.7086712133487993
Energy: 2.0946875584797753
Energy: 1.7086712133492081
Energy: 1.2842942253197895
Energy: 1.7086712133492081
Energy: 1.2884192665188796
Energy: 1.3014418762742552
Energy: 2.242179806254283
Energy: 1.3014418762751547
Energy: 1.288419266518389
Energy: 1.3014418762756454
Energy: 1.3333267242765214
Energy: 1.7332875610708023
Energy: 2.119857329366983
Energy: 1.7332875610694123
Energy: 1.3333267242765214
Energy: 1.7332875610703118
Energy: 1.3371487320170536
Energy: 1.3447749814421512
Energy: 2.24416214063064
Energy: 1.344774981444359
Energy: 1.3371487320175441
Energy: 1.3447749814434595
Energy: 1.3536783490220712
Energy: 1.708781436397077
Energy: 2.09721168355789
Energy: 1.708781436397077
Energy: 1.3536783490211717
Energy: 1.708781436397077
Energy: 1.2885726941306566
Energy: 1.329517197084971
Energy: 2.2146050522377974
Energy: 1.329517197084971
Energy: 1.2885726941324553
Energy: 1.3295171970840716
Energy: 1.332761619010733
Energy: 1.6566607720225648
Energy: 1.704775747856514
Energy: 1.6566607720225648
Energy: 1.3327616190111418
Energy: 1.6566607720225648
Energy: 1.3329854124405938
Energy: 1.5708430838935257
Energy: 1.8372732830426464
Energy: 1.5708430838930352
Energy: 1.3329854124405938
Energy: 1.5708430838917269
Energy: 1.6715012261330027
Energy: 1.6483105920444754
Energy: 1.6821748308327324
Energy: 1.6483105920457837
Energy: 1.671501226133902
Energy: 1.6483105920453747

minimum gb energy = 1.2840712936675773 eV
minimum distance =  2.45792320459664 Angstroms
sigma value = 81


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

Energy: 2.1801852416959244
Energy: 1.9485176431522373
Energy: 1.7174043729033848
Energy: 1.9485176431534716
Energy: 2.1801852416965413
Energy: 1.9485176431534716
Energy: 2.587631041552274
Energy: 1.4545521973609317
Energy: 1.474755347979016
Energy: 1.4545521973609317
Energy: 2.5876310415535086
Energy: 1.4545521973603144
Energy: 2.1266415525549442
Energy: 1.9101602292152366
Energy: 1.8806737411362564
Energy: 1.9101602292146194
Energy: 2.1266415525549442
Energy: 1.9101602292152366
Energy: 2.088439574482685
Energy: 1.5498745774733858
Energy: 1.4593613953755906
Energy: 1.54987457747462
Energy: 2.0884395744833024
Energy: 1.54987457747462
Energy: 1.6592760095907702
Energy: 1.8335763556631572
Energy: 1.5859099537137464
Energy: 1.8335763556643918
Energy: 1.6592760095901529
Energy: 1.8335763556637745
Energy: 1.8283879760843884
Energy: 1.82695477492259
Energy: 1.5936503722068904
Energy: 1.8269547749219728
Energy: 1.8283879760837711
Energy: 1.82695477492259
Energy: 1.6118199530810844
Energy: 1.8255047500654926
Energy: 1.8405821749055777
Energy: 1.8255047500654926
Energy: 1.6118199530817017
Energy: 1.8255047500654926
Energy: 1.6117928026619055
Energy: 1.8281431200605058
Energy: 1.66236837675864
Energy: 1.8281431200592715
Energy: 1.6117928026625228
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Energy: 1.4590510380029214
Energy: 1.709636865816948
Energy: 2.202572193185726
Energy: 1.7096368658175651
Energy: 1.4590510380029214
Energy: 1.709636865816948
Energy: 1.616898695454082
Energy: 1.9000998609645725
Energy: 2.050373762900505
Energy: 1.9000998609651898
Energy: 1.6168986954546993
Energy: 1.9000998609651898
Energy: 1.4415748695700972
Energy: 1.7167277303153043
Energy: 2.2073158265376005
Energy: 1.7167277303165387
Energy: 1.4415748695707147
Energy: 1.7167277303159216
Energy: 1.479352744516075
Energy: 1.9071968074285592
Energy: 2.015819947458965
Energy: 1.9071968074291765
Energy: 1.4793527445154577
Energy: 1.9071968074285592
Energy: 1.4305486741481286
Energy: 1.7731153670970716
Energy: 2.0710442923358916
Energy: 1.7731153670983062
Energy: 1.4305486741487459
Energy: 1.7731153670983062
Energy: 1.5406480606346287
Energy: 1.9000706306369457
Energy: 2.051260827518967
Energy: 1.9000706306381803
Energy: 1.5406480606340114
Energy: 1.9000706306381803
Energy: 1.5411252484727795
Energy: 1.776400389029802
Energy: 2.037568524833522
Energy: 1.776400389029802
Energy: 1.5411252484727795
Energy: 1.776400389029802
Energy: 1.5500892835357307
Energy: 1.9074726592088198
Energy: 1.6647449022027359
Energy: 1.9074726592088198
Energy: 1.550089283536965
Energy: 1.9074726592088198
Energy: 1.5507338479465163
Energy: 1.8283728199326519
Energy: 1.785444476234539
Energy: 1.8283728199326519
Energy: 1.5507338479471333
Energy: 1.828372819933269
Energy: 2.0277503918139774
Energy: 1.8797072420494123
Energy: 1.620704686888068
Energy: 1.8797072420475605
Energy: 2.0277503918139774
Energy: 1.8797072420475605
Energy: 2.028248992856186
Energy: 1.906421702946112
Energy: 1.541055509798164
Energy: 1.906421702946112
Energy: 2.0282489928568035
Energy: 1.9064217029454948
Energy: 2.0490384147952496
Energy: 1.9071853750826155
Energy: 1.45814088878254
Energy: 1.9071853750819985
Energy: 2.049038414795867
Energy: 1.9071853750838499
Energy: 2.049307341870603
Energy: 1.9021885407116013
Energy: 1.6584691366446838
Energy: 1.9021885407122185
Energy: 2.04930734187122
Energy: 1.9021885407122185
Energy: 2.5885383922039287
Energy: 1.8110831563093583
Energy: 1.4412599999368
Energy: 1.8110831563081236
Energy: 2.588538392204546
Energy: 1.8110831563081236
Energy: 2.468627564119117
Energy: 1.8727907665931043
Energy: 1.4415554222740319
Energy: 1.8727907665912524
Energy: 2.4686275641184996
Energy: 1.8727907665912524
Energy: 2.0491713287117026
Energy: 1.902528159603318
Energy: 1.7919522207984084
Energy: 1.902528159603318
Energy: 2.0491713287117026
Energy: 1.902528159603318
Energy: 2.0490982522843675
Energy: 1.907174385579923
Energy: 1.4576357007662062
Energy: 1.9071743855805403
Energy: 2.0490982522843675
Energy: 1.9071743855805403
Energy: 2.027936096768162
Energy: 1.9054297409982743
Energy: 1.5412285773345622
Energy: 1.905429740997657
Energy: 2.027936096768162
Energy: 1.905429740997657
Energy: 2.0295383145429478
Energy: 1.879673862853766
Energy: 1.6221842451739734
Energy: 1.8796738628556175
Energy: 2.0295383145423305
Energy: 1.8796738628543832
Energy: 1.5505340945033483
Energy: 1.8285791546122907
Energy: 2.048646310073377
Energy: 1.8285791546116734
Energy: 1.5505340945033483
Energy: 1.8285791546110564
Energy: 1.5502281662649662
Energy: 1.9072614629391316
Energy: 1.667960679384064
Energy: 1.9072614629360456
Energy: 1.5502281662649662
Energy: 1.9072614629366629
Energy: 1.5409024480075943
Energy: 1.776400389029802
Energy: 1.9368038268409817
Energy: 1.7764003890310367
Energy: 1.5409024480075943
Energy: 1.7764003890310367
Energy: 1.540757016950182
Energy: 1.900237328306578
Energy: 2.0507063087789947
Energy: 1.9002373283090472
Energy: 1.5407570169507994
Energy: 1.9002373283096645
Energy: 1.4306217536115002
Energy: 1.7967931762867009
Energy: 2.4597457161547895
Energy: 1.7967931762867009
Energy: 1.4306217536115002
Energy: 1.7967931762879352
Energy: 1.4750237480586248
Energy: 1.9073761146868782
Energy: 2.0160258733667105
Energy: 1.9073761146868782
Energy: 1.4750237480586248
Energy: 1.9073761146868782
Energy: 1.4419092067949726
Energy: 1.5267903795225382
Energy: 2.2073830659306037
Energy: 1.5267903795231554
Energy: 1.441909206794355
Energy: 1.5267903795225382
Energy: 1.6168986954546993
Energy: 1.8994113968787063
Energy: 2.0507889945072835
Energy: 1.8994113968787063
Energy: 1.6168986954546993
Energy: 1.8994113968787063
Energy: 1.45885145976495
Energy: 1.6225332867269324
Energy: 2.330177069193549
Energy: 1.622533286728167
Energy: 1.45885145976495
Energy: 1.6225332867275497
Energy: 1.6108282688000186
Energy: 1.8271634136276638
Energy: 1.6704483069166698
Energy: 1.8271634136270465
Energy: 1.610828268798784
Energy: 1.8271634136276638
Energy: 1.6117922796743154
Energy: 1.827972002990442
Energy: 1.8195813889186634
Energy: 1.8279720029916766
Energy: 1.6117922796743154
Energy: 1.8279720029916766

minimum gb energy = 1.4305486741481286 eV
minimum distance =  2.39449950726675 Angstroms
sigma value = 43


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

Energy: 2.200518969727262
Energy: 2.0756626527179773
Energy: 1.5200279145890294
Energy: 2.0756626527179773
Energy: 2.2005189697280203
Energy: 2.0756626527179773
Energy: 2.467254378998502
Energy: 1.5842790434702336
Energy: 1.5811523281609035
Energy: 1.5842790434702336
Energy: 2.467254378998502
Energy: 1.5842790434702336
Energy: 1.6841094331137476
Energy: 1.954997782968435
Energy: 1.8344332873414204
Energy: 1.9549977829676766
Energy: 1.6841094331137476
Energy: 1.9549977829676766
Energy: 2.1382430380428596
Energy: 1.5693448035939428
Energy: 1.5336402243275986
Energy: 1.5693448035939428
Energy: 2.1382430380436177
Energy: 1.5693448035939428
Energy: 1.6044162707553526
Energy: 1.9563696150512089
Energy: 1.7412473564856819
Energy: 1.9563696150512089
Energy: 1.6044162707545944
Energy: 1.956369615050451
Energy: 1.603902555752392
Energy: 1.959604305062301
Energy: 1.6173942543018958
Energy: 1.959604305062301
Energy: 1.603902555752392
Energy: 1.959604305062301
Energy: 1.5341560384075126
Energy: 1.7598069108443233
Energy: 1.8761049721680674
Energy: 1.7598069108443233
Energy: 1.5341560384075126
Energy: 1.7598069108443233
Energy: 1.6741280616775238
Energy: 1.9553228961268245
Energy: 1.6975357256414194
Energy: 1.9553228961268245
Energy: 1.6741280616775238
Energy: 1.9553228961268245
Energy: 1.5204478327117463
Energy: 1.753442839637395
Energy: 2.3304185246927567
Energy: 1.7534428396381527
Energy: 1.5204478327125042
Energy: 1.753442839637395
Energy: 1.5987627979403798
Energy: 2.0272767590537994
Energy: 2.146729646251075
Energy: 2.0272767590537994
Energy: 1.5987627979403798
Energy: 2.0272767590537994
Energy: 1.5340975490064475
Energy: 2.0276613689622858
Energy: 1.876193111410471
Energy: 2.027661368963044
Energy: 1.5340975490056892
Energy: 2.0276613689622858
Energy: 1.5215910040085268
Energy: 1.955386515381829
Energy: 1.696870587438012
Energy: 1.955386515381829
Energy: 1.5215910040085268
Energy: 1.955386515381829
Energy: 1.520133308737226
Energy: 1.5211149951198923
Energy: 1.9987807339690153
Energy: 1.5211149951206506
Energy: 1.520133308737984
Energy: 1.5211149951214087
Energy: 1.534915523499175
Energy: 2.0267914743230375
Energy: 1.6048059562108625
Energy: 2.0267914743222795
Energy: 1.534915523499175
Energy: 2.0267914743230375
Energy: 1.5337912036679782
Energy: 1.9657172461897123
Energy: 1.5198764177826698
Energy: 1.9657172461897123
Energy: 1.5337912036679782
Energy: 1.9657172461897123
Energy: 2.1096397506617484
Energy: 1.7566529055497515
Energy: 1.5341946625674072
Energy: 1.7566529055497515
Energy: 2.1096397506617484
Energy: 1.7566529055497515
Energy: 2.108715813804644
Energy: 1.9494127920640143
Energy: 1.8148881170602884
Energy: 1.949412792063256
Energy: 2.108715813804644
Energy: 1.9494127920640143
Energy: 2.1458924934517274
Energy: 2.026456882962278
Energy: 1.52008445933437
Energy: 2.026456882962278
Energy: 2.1458924934517274
Energy: 2.026456882963036
Energy: 2.14534555304933
Energy: 2.02690509613723
Energy: 1.5202830791332604
Energy: 2.02690509613723
Energy: 2.145345553048572
Energy: 2.02690509613723
Energy: 2.1100400000738126
Energy: 2.0533227193074235
Energy: 1.533812294092461
Energy: 2.0533227193081816
Energy: 2.1100400000738126
Energy: 2.0533227193081816
Energy: 2.1084865752295956
Energy: 2.0817405261044253
Energy: 1.5824615132907063
Energy: 2.0817405261044253
Energy: 2.1084865752295956
Energy: 2.0817405261044253
Energy: 1.5355213661840286
Energy: 1.9664586993934188
Energy: 1.5197690212150892
Energy: 1.9664586993941764
Energy: 1.5355213661840286
Energy: 1.9664586993926603
Energy: 1.5335681899992737
Energy: 2.0260233815204196
Energy: 1.534786721806084
Energy: 2.0260233815211777
Energy: 1.5335681899992737
Energy: 2.0260233815204196
Energy: 1.522660156671448
Energy: 1.970561479110115
Energy: 1.533675238806606
Energy: 1.9705614791093573
Energy: 1.522660156671448
Energy: 1.9705614791093573
Energy: 1.5198068877327215
Energy: 2.0812842137045235
Energy: 1.6659986123654005
Energy: 2.0812842137045235
Energy: 1.5198068877327215
Energy: 2.0812842137045235
Energy: 1.5354747525353405
Energy: 2.026503152836437
Energy: 2.1218202543488993
Energy: 2.026503152836437
Energy: 1.5354747525353405
Energy: 2.026503152836437
Energy: 1.6003274941515395
Energy: 2.026146836568389
Energy: 2.1477055927320534
Energy: 2.026146836568389
Energy: 1.6003274941515395
Energy: 2.026146836568389
Energy: 1.5228364330904942
Energy: 2.0275981719009186
Energy: 1.9331573329380531
Energy: 2.0275981719001606
Energy: 1.5228364330904942
Energy: 2.0275981719001606
Energy: 1.6740614203211819
Energy: 1.9521284054925772
Energy: 1.6658061221728744
Energy: 1.9521284054933352
Energy: 1.6740614203204238
Energy: 1.9521284054925772
Energy: 1.5358847694825424
Energy: 1.7591523248219203
Energy: 1.8769762441323679
Energy: 1.7591523248219203
Energy: 1.5358847694825424
Energy: 1.7591523248219203
Energy: 1.5803501256657528
Energy: 1.964581966577985
Energy: 1.5349931049687329
Energy: 1.964581966577985
Energy: 1.5803501256657528
Energy: 1.964581966577985

minimum gb energy = 1.5197690212150892 eV
minimum distance =  2.41501852692609 Angstroms
sigma value = 57


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

Energy: 1.847269704142183
Energy: 2.155349196264867
Energy: 1.6530027831944911
Energy: 2.155349196264867
Energy: 1.8472697041412014
Energy: 2.155349196264867
Energy: 2.1280688067065014
Energy: 1.7422678465265664
Energy: 1.729793712200092
Energy: 1.7422678465265664
Energy: 2.1280688067065014
Energy: 1.742267846525585
Energy: 1.7375404938856813
Energy: 2.151888244309323
Energy: 1.6525549163917668
Energy: 2.151888244309323
Energy: 1.7375404938856813
Energy: 2.151888244309323
Energy: 1.737072639724024
Energy: 1.6540604497093634
Energy: 1.728522091209465
Energy: 1.6540604497093634
Energy: 1.737072639724024
Energy: 1.6540604497093634
Energy: 1.6744065209092625
Energy: 1.7295313845771967
Energy: 1.9478945531119172
Energy: 1.7295313845771967
Energy: 1.6744065209092625
Energy: 1.7295313845762152
Energy: 1.7070910096548162
Energy: 2.1461862874997015
Energy: 1.7390569112238945
Energy: 2.1461862874987196
Energy: 1.7070910096567793
Energy: 2.1461862874987196
Energy: 1.6519701264756783
Energy: 1.9277501939085513
Energy: 2.127749939499676
Energy: 1.9277501939095327
Energy: 1.6519701264766602
Energy: 1.9277501939095327
Energy: 1.7351357170204724
Energy: 2.146373446189956
Energy: 1.8464207454559525
Energy: 2.146373446189956
Energy: 1.7351357170204724
Energy: 2.146373446189956
Energy: 1.6745223779445628
Energy: 1.7433090005722574
Energy: 1.8996002277141848
Energy: 1.7433090005712757
Energy: 1.6745223779435814
Energy: 1.7433090005712757
Energy: 1.6519404178647679
Energy: 2.165833552406116
Energy: 1.7389420797801518
Energy: 2.165833552405134
Energy: 1.6519404178637862
Energy: 2.165833552406116
Energy: 1.6517343447327844
Energy: 1.6528070029418678
Energy: 1.6521414316508598
Energy: 1.6528070029418678
Energy: 1.6517343447327844
Energy: 1.6528070029418678
Energy: 1.6743279657145245
Energy: 1.9402661163531973
Energy: 1.7281692835735345
Energy: 1.940266116354179
Energy: 1.6743279657155061
Energy: 1.940266116354179
Energy: 1.6743343826676351
Energy: 2.148475289980071
Energy: 1.6943393987957334
Energy: 2.148475289980071
Energy: 1.6743343826676351
Energy: 2.1484752899790895
Energy: 2.067157944911419
Energy: 2.194844091252361
Energy: 1.6518811843059784
Energy: 2.1948440912513796
Energy: 2.067157944910437
Energy: 2.1948440912513796
Energy: 2.468288511232261
Energy: 2.1472671401825423
Energy: 1.6990179993448378
Energy: 2.1472671401825423
Energy: 2.468288511232261
Energy: 2.1472671401825423
Energy: 1.6744078142599879
Energy: 2.146428559560614
Energy: 1.6754158631761946
Energy: 2.1464285595615955
Energy: 1.6744078142590062
Energy: 2.1464285595615955
Energy: 1.6742016298183102
Energy: 1.9420882060987974
Energy: 1.6517110986652428
Energy: 1.9420882060987974
Energy: 1.6742016298192919
Energy: 1.9420882060987974
Energy: 1.651787474186454
Energy: 1.9718975760787822
Energy: 1.6520489322046488
Energy: 1.9718975760787822
Energy: 1.6517874741854723
Energy: 1.9718975760787822
Energy: 1.6516974314383222
Energy: 1.9420243557687034
Energy: 1.6742234353088288
Energy: 1.9420243557687034
Energy: 1.6516974314383222
Energy: 1.9420243557687034
Energy: 1.6749590604928972
Energy: 2.146124470193767
Energy: 1.6745826215430302
Energy: 2.146124470193767
Energy: 1.6749590604928972
Energy: 2.1461244701947484
Energy: 1.6988267802042771
Energy: 2.147769446205064
Energy: 2.4682764267270287
Energy: 2.1477694462040824
Energy: 1.6988267802052588
Energy: 2.147769446205064
Energy: 1.6518593779431476
Energy: 1.9274669398428088
Energy: 2.067463533087205
Energy: 1.9274669398428088
Energy: 1.6518593779431476
Energy: 1.9274669398428088
Energy: 1.7407638548892752
Energy: 2.1485313538038406
Energy: 1.67432502301605
Energy: 2.1485313538028588
Energy: 1.7407638548892752
Energy: 2.1485313538038406
Energy: 1.7280162616998436
Energy: 1.9400486422454724
Energy: 1.6744401463553307
Energy: 1.9400486422454724
Energy: 1.7280162616998436
Energy: 1.9400486422454724

minimum gb energy = 1.6516974314383222 eV
minimum distance =  2.41446412172458 Angstroms
sigma value = 17


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

Energy: 1.8381570423033728
Energy: 1.839119732912621
Energy: 2.7315232444148894
Energy: 1.839119732912621
Energy: 1.8381570423019846
Energy: 1.839119732912621
Energy: 1.8475594311430634
Energy: 1.8296023909305577
Energy: 1.8313002471583493
Energy: 1.829602390931946
Energy: 1.8475594311430634
Energy: 1.8296023909305577
Energy: 1.8293090518796307
Energy: 1.8293936661801502
Energy: 2.1868459398607625
Energy: 1.8293936661801502
Energy: 1.8293090518796307
Energy: 1.8293936661801502
Energy: 1.8994996942396223
Energy: 1.828315043153713
Energy: 1.8265399540040408
Energy: 1.828315043153713
Energy: 1.8994996942410105
Energy: 1.828315043153713
Energy: 1.8277896156675575
Energy: 1.8299942763290113
Energy: 1.829996344740998
Energy: 1.8299942763290113
Energy: 1.8277896156675575
Energy: 1.8299942763276231
Energy: 1.828074765035371
Energy: 1.8367066288487746
Energy: 1.8354101589188456
Energy: 1.8367066288487746
Energy: 1.828074765035371
Energy: 1.836706628850163
Energy: 1.8371468754927174
Energy: 2.0472514968674225
Energy: 1.847119064502809
Energy: 2.0472514968674225
Energy: 1.8371468754927174
Energy: 2.0472514968674225
Energy: 1.8275163467374556
Energy: 2.162248740706872
Energy: 1.826734787635256
Energy: 2.1622487407082605
Energy: 1.8275163467374556
Energy: 2.162248740706872
Energy: 1.8276681715267487
Energy: 1.8288040891807753
Energy: 2.014510474485252
Energy: 1.8288040891807753
Energy: 1.8276681715267487
Energy: 1.8288040891807753
Energy: 1.8375942884134744
Energy: 1.8070146197149901
Energy: 1.8314739487839136
Energy: 1.8070146197149901
Energy: 1.8375942884148626
Energy: 1.8070146197149901
Energy: 1.8370208912768993
Energy: 2.158181195918959
Energy: 1.8305559201989634
Energy: 2.158181195918959
Energy: 1.8370208912768993
Energy: 2.158181195918959
Energy: 1.8286357991121927
Energy: 1.8309643104377105
Energy: 1.8450468525311405
Energy: 1.8309643104377105
Energy: 1.8286357991121927
Energy: 1.8309643104377105
Energy: 1.8277369386626938
Energy: 2.0719268324442046
Energy: 1.8293896774650344
Energy: 2.071926832445593
Energy: 1.8277369386626938
Energy: 2.071926832445593
Energy: 1.8300474461535436
Energy: 1.8289579261779454
Energy: 1.8358575722408024
Energy: 1.8289579261765572
Energy: 1.8300474461535436
Energy: 1.8289579261779454
Energy: 1.8362396558805383
Energy: 2.1457901183644457
Energy: 1.8365171216788334
Energy: 2.1457901183644457
Energy: 1.8362396558805383
Energy: 2.1457901183644457
Energy: 1.8431283672967786
Energy: 2.1598051682464843
Energy: 1.8442809588535947
Energy: 2.1598051682464843
Energy: 1.8431283672967786
Energy: 2.1598051682464843
Energy: 1.8295844018420995
Energy: 1.8305526090038793
Energy: 1.82815039644419
Energy: 1.8305526090038793
Energy: 1.8295844018420995
Energy: 1.8305526090038793

minimum gb energy = 1.8070146197149901 eV
minimum distance =  2.43759734483844 Angstroms
sigma value = 17


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

Energy: 2.4277901511954614
Energy: 2.4332380186758353
Energy: 2.3261480314577034
Energy: 2.4332380186763714
Energy: 2.4277901511954614
Energy: 2.4332380186763714
Energy: 2.233396783729769
Energy: 1.8630243889004143
Energy: 1.845439350649594
Energy: 1.8630243888998785
Energy: 2.2333967837303046
Energy: 1.8630243888998785
Energy: 1.845929130861729
Energy: 1.9509473618294064
Energy: 2.224163989018735
Energy: 1.9509473618288704
Energy: 1.8459291308628014
Energy: 1.9509473618288704
Energy: 1.8623562574473675
Energy: 2.249145905859833
Energy: 1.9520492009372377
Energy: 2.249145905859833
Energy: 1.8623562574441996
Energy: 2.249145905860905
Energy: 1.8426733135165272
Energy: 1.9089876249805595
Energy: 2.2672230529599102
Energy: 1.9089876249810955
Energy: 1.8426733135165272
Energy: 1.9089876249816313
Energy: 2.008149207507111
Energy: 2.2599788792749584
Energy: 1.982188541884344
Energy: 2.259978879276567
Energy: 2.0081492075087195
Energy: 2.259978879276031
Energy: 1.8478050901550278
Energy: 1.9723067280832236
Energy: 2.252612655620458
Energy: 1.9723067280837594
Energy: 1.8478050901550278
Energy: 1.9723067280842954
Energy: 2.214976225458838
Energy: 2.0546256586812803
Energy: 1.8421851387832808
Energy: 2.054625658681817
Energy: 2.21497622545723
Energy: 2.0546256586812803
Energy: 1.9832400828987398
Energy: 2.2609481829876112
Energy: 1.8635605954192593
Energy: 2.2609481829886833
Energy: 1.9832400828987398
Energy: 2.2609481829897553
Energy: 2.4602499821438
Energy: 1.9112531556416132
Energy: 1.8501220700782128
Energy: 1.9112531556416132
Energy: 2.4602499821432633
Energy: 1.9112531556421493
Energy: 1.9533221177794289
Energy: 2.3348644889698393
Energy: 1.9839450878584315
Energy: 2.3348644889698393
Energy: 1.953322117779965
Energy: 2.3348644889687673
Energy: 1.8672078083067776
Energy: 2.2669859469164564
Energy: 1.8621913244890618
Energy: 2.266985945847402
Energy: 1.8672078083062416
Energy: 2.2669859460981936
Energy: 1.8515395279425542
Energy: 2.0654238437284302
Energy: 2.4781382195918673
Energy: 2.0654238437332553
Energy: 1.8515395279409463
Energy: 2.065423843732183
Energy: 1.8636954656643159
Energy: 2.4996460711094
Energy: 2.4276565933482828
Energy: 2.4996460711094
Energy: 1.8636954656659246
Energy: 2.4996460711094
Energy: 1.859875003596011
Energy: 2.572564857912873
Energy: 1.949658201887661
Energy: 2.572564857913409
Energy: 1.8598750035944027
Energy: 2.572564857912873
Energy: 1.9527234563209996
Energy: 2.382755968763846
Energy: 1.862314919011982
Energy: 2.382755968763846
Energy: 1.9527234563193914
Energy: 2.440079549026594
Energy: 1.9676416326082562
Energy: 2.42618947446721
Energy: 1.8420741219622134
Energy: 2.426189474467746
Energy: 1.9676416326087922
Energy: 2.426189474467746
Energy: 2.4368271970626783
Energy: 2.2172253477032506
Energy: 1.8580122144220348
Energy: 2.2172253476968176
Energy: 2.4368271970626783
Energy: 2.2172253476791264
Energy: 2.4229952479643746
Energy: 2.1843171756942237
Energy: 1.8416506720508676
Energy: 2.1843171756931516
Energy: 2.4229952479649106
Energy: 2.184317175695296
Energy: 1.8416769117857412
Energy: 2.602771614557822
Energy: 1.841261962811869
Energy: 2.6027716145562136
Energy: 1.8416769117862772
Energy: 2.60277161455675
Energy: 1.8418101084591578
Energy: 2.184686208522743
Energy: 2.196830683858847
Energy: 2.1846862085205982
Energy: 1.8418101084580856
Energy: 2.1846862085211347
Energy: 1.858000231613884
Energy: 2.216816231434382
Energy: 2.445148418886288
Energy: 2.216816231438134
Energy: 1.8580002316106674
Energy: 2.216816231438134
Energy: 1.862053177776634
Energy: 2.4239266861262894
Energy: 1.9673856709543558
Energy: 2.4239266861278974
Energy: 1.862053177776098
Energy: 2.4239266861278974
Energy: 1.8621958215580976
Energy: 2.3341165203408853
Energy: 1.954878224367088
Energy: 2.334116520358576
Energy: 1.8621958215575614
Energy: 2.334116520326947
Energy: 1.9506618552324384
Energy: 2.5725383807718303
Energy: 1.865128965801916
Energy: 2.5725383807723663
Energy: 1.9506618552313661
Energy: 2.5725383807723663
Energy: 2.4283112630616386
Energy: 2.499633231771333
Energy: 1.8635426182031198
Energy: 2.499633231772941
Energy: 2.42831126306271
Energy: 2.499633231772941
Energy: 2.4788992234199494
Energy: 2.0604337497743646
Energy: 1.8519110555441294
Energy: 2.0604337497690035
Energy: 2.478899223418341
Energy: 2.060433749760426
Energy: 1.8622110201563102
Energy: 2.2609374002699134
Energy: 1.8667520993043645
Energy: 2.2609374002699134
Energy: 1.8622110201563102
Energy: 2.2609374002683054
Energy: 1.9827881896349488
Energy: 2.338187366335472
Energy: 1.9534510056413594
Energy: 2.3381873663360078
Energy: 1.9827881896349488
Energy: 2.338187366335472
Energy: 1.8501442579142577
Energy: 1.9112531556421493
Energy: 2.4600823334868887
Energy: 1.9112531556421493
Energy: 1.8501442579142577
Energy: 1.9112531556416132
Energy: 1.8639508516141747
Energy: 2.2609488346610287
Energy: 1.983390215335971
Energy: 2.2609488346604922
Energy: 1.863950851613639
Energy: 2.2609488346604922
Energy: 1.8421868918673419
Energy: 2.0516386225533694
Energy: 2.214844514753732
Energy: 2.051638624978625
Energy: 1.8421868918678783
Energy: 2.0516386211574975
Energy: 2.253156069172279
Energy: 1.9717423735696062
Energy: 1.8478074031151235
Energy: 1.9717423735696062
Energy: 2.253156069171743
Energy: 1.9717423735701423
Energy: 1.9820840700724645
Energy: 2.25934938730019
Energy: 2.006954297901969
Energy: 2.259349387300726
Energy: 1.9820840700713924
Energy: 2.2593493872985815
Energy: 2.267533114285188
Energy: 1.908987624983776
Energy: 1.8426523304734401
Energy: 1.908987624983776
Energy: 2.2675331142846518
Energy: 1.908987624983776
Energy: 1.9521312393786112
Energy: 2.2507901388951956
Energy: 1.861902848342178
Energy: 2.250790138896268
Energy: 1.9521312393791472
Energy: 2.2507901388957317
Energy: 2.2241981169418437
Energy: 1.949140288336485
Energy: 1.8454907406755638
Energy: 1.9491402883370215
Energy: 2.2241981169429166
Energy: 1.949140288335949
Energy: 1.8454326242718135
Energy: 1.8627021675404418
Energy: 2.233312220579627
Energy: 1.8627021675404418
Energy: 1.8454326242723493
Energy: 1.8627021675404418
Energy: 2.2534548834923642
Energy: 2.433238018675299
Energy: 2.4277901511954614
Energy: 2.4332380186758353
Energy: 2.2534548834945087
Energy: 2.4332380186763714
Energy: 1.8454393506501299
Energy: 1.8630243889004143
Energy: 2.2333967837292326
Energy: 1.8630243888998785
Energy: 1.8454393506501299
Energy: 1.8630243889004143
Energy: 2.2241639890165907
Energy: 1.9509473618272624
Energy: 1.8459291308633377
Energy: 1.9509473618304791
Energy: 2.2241639890181992
Energy: 1.9509473618294064
Energy: 1.9520492009367016
Energy: 2.249145905860905
Energy: 1.8623562574473675
Energy: 2.249145905860369
Energy: 1.9520492009372377
Energy: 2.249145905860369
Energy: 2.267223052960982
Energy: 1.9089876249810955
Energy: 1.8426733135159912
Energy: 1.9089876249810955
Energy: 2.2672230529604462
Energy: 1.9089876249816313

minimum gb energy = 1.841261962811869 eV
minimum distance =  2.41384921073969 Angstroms
sigma value = 57


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

Energy: 1.9951709937501894
Energy: 2.4119491106340183
Energy: 2.3460146090281953
Energy: 2.411949110634891
Energy: 1.9951709937510624
Energy: 2.411949110634891
Energy: 1.9936154508984922
Energy: 1.823111889699438
Energy: 1.8229862636484477
Energy: 1.8231118897003107
Energy: 1.9936154509002384
Energy: 1.8231118897003107
Energy: 1.8049277184299821
Energy: 1.9937190910500957
Energy: 2.2177143373806483
Energy: 1.9937190910474771
Energy: 1.8049277184299821
Energy: 1.9937190910492226
Energy: 2.12442562047866
Energy: 1.9609056681719237
Energy: 1.95991876104491
Energy: 1.9609056681710506
Energy: 2.124425620477787
Energy: 1.9609056681710506
Energy: 1.8113759978235695
Energy: 1.8952830084901646
Energy: 2.0772813688336
Energy: 1.8952830084919103
Energy: 1.811375997821824
Energy: 1.8952830084919103
Energy: 1.994437565082789
Energy: 1.9602914570998864
Energy: 1.9601485359803035
Energy: 1.960291457101632
Energy: 1.9944375649448747
Energy: 1.9602914571007597
Energy: 1.8113480273115
Energy: 1.9844558367156813
Energy: 1.8216165710777104
Energy: 1.9844558367139353
Energy: 1.8113480273115
Energy: 1.9844558367156813
Energy: 1.8052103048001291
Energy: 1.89130932664454
Energy: 1.8230366497901682
Energy: 1.8913093266410483
Energy: 1.8052103047975105
Energy: 1.891309326643667
Energy: 1.9976445173358868
Energy: 2.4507794591049787
Energy: 1.8207997429278824
Energy: 2.4507794591041057
Energy: 1.99764451733676
Energy: 2.4507794591041057
Energy: 1.9858491030025178
Energy: 1.8231169184276161
Energy: 1.83889528344135
Energy: 1.823116918428489
Energy: 1.9858491030016452
Energy: 1.8231169184276161
Energy: 1.811237588666037
Energy: 2.1282007278056105
Energy: 1.963936346326671
Energy: 2.128200727809102
Energy: 1.8112375886651642
Energy: 2.128200727808229
Energy: 1.8955160610362052
Energy: 1.964467148804155
Energy: 1.9659833241912874
Energy: 1.9644671488059007
Energy: 1.8955160610362052
Energy: 1.9644671488050278
Energy: 1.8153235415755578
Energy: 2.264842903511726
Energy: 1.9607851286096238
Energy: 2.264842903505616
Energy: 1.8153235415764306
Energy: 2.264842903514345
Energy: 1.9910811807244904
Energy: 2.3034803548977676
Energy: 1.9667492954841304
Energy: 2.303480354900386
Energy: 1.9910811807236173
Energy: 2.3034803548995133
Energy: 1.804292687115868
Energy: 1.9841403171572598
Energy: 1.820792069010632
Energy: 1.9841403171572598
Energy: 1.804292687115868
Energy: 1.9841403171581329
Energy: 2.3538940048724974
Energy: 2.23754863653632
Energy: 1.8385683037483227
Energy: 2.237548636539811
Energy: 2.353894004856786
Energy: 2.23754863653632
Energy: 2.007801499197037
Energy: 2.5084464534296513
Energy: 1.8216388245047015
Energy: 2.508446453430524
Energy: 2.0078014991944184
Energy: 2.5084464534331428
Energy: 1.98106455022497
Energy: 1.9847742339722116
Energy: 1.8218571431409916
Energy: 1.9847742339722116
Energy: 1.98106455022497
Energy: 1.9847742339730847
Energy: 1.8045789370023755
Energy: 2.13042593174652
Energy: 1.9609911938794706
Energy: 2.130425931745647
Energy: 1.8045789370015028
Energy: 2.130425931749139
Energy: 1.9862085483827272
Energy: 2.526641541472363
Energy: 1.9789796900641163
Energy: 2.526641541472363
Energy: 1.9862085483836003
Energy: 2.5266415414714904
Energy: 1.8101004347580882
Energy: 2.2637824409686313
Energy: 1.9613253871894962
Energy: 2.2637824409686313
Energy: 1.8101004347589607
Energy: 2.2637824409677587
Energy: 1.8044451445109042
Energy: 2.130116383697227
Energy: 1.9804286551506136
Energy: 2.1301163840741513
Energy: 1.804445144511777
Energy: 2.1301163838996553
Energy: 1.8039608952571042
Energy: 1.9871197720991403
Energy: 1.8210657365261074
Energy: 1.9871197720973943
Energy: 1.8039608952571042
Energy: 1.9871197720973943
Energy: 2.01724891008799
Energy: 2.5225388630035113
Energy: 1.8214354510619983
Energy: 2.5225388630043843
Energy: 2.01724891008799
Energy: 2.5225388630052574
Energy: 2.0293774758106196
Energy: 2.2768981176810663
Energy: 1.8216612690557132
Energy: 2.2768981176784475
Energy: 2.029377475811492
Energy: 2.2768981176819394
Energy: 1.8039862732442802
Energy: 1.9858615933283228
Energy: 1.8200683837361982
Energy: 1.985861593326577
Energy: 1.803986273245153
Energy: 1.985861593326577
Energy: 1.804521439065744
Energy: 2.1331960259567726
Energy: 1.9715971098087
Energy: 2.133196025958518
Energy: 1.8045214390648714
Energy: 2.133196025958518

minimum gb energy = 1.8039608952571042 eV
minimum distance =  2.35864878734762 Angstroms
sigma value = 43


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

Energy: 2.043358771796184
Energy: 2.3748470352442914
Energy: 2.3964638815463175
Energy: 2.37484703524302
Energy: 2.043358771796184
Energy: 2.374847035243656
Energy: 2.0194437162280776
Energy: 1.8609051307619002
Energy: 1.830083018096367
Energy: 1.8609051307625362
Energy: 2.0194437162280776
Energy: 1.8609051307625362
Energy: 1.829333315613371
Energy: 2.0092254531806892
Energy: 2.104777299789827
Energy: 2.009225453179417
Energy: 1.8293333156140072
Energy: 2.009225453180053
Energy: 2.3544737886251235
Energy: 2.3453657209645415
Energy: 1.9876019088838954
Energy: 2.3453657209645415
Energy: 2.3544737886257594
Energy: 2.345365720965814
Energy: 1.8468717701679402
Energy: 1.936000976565793
Energy: 2.080446669326242
Energy: 1.9360009765746973
Energy: 1.8468717701673043
Energy: 1.9360009765925046
Energy: 2.334236157478884
Energy: 1.9784710762896645
Energy: 1.8456132534966487
Energy: 1.9784710762896645
Energy: 2.334236157478884
Energy: 1.9784710762890285
Energy: 1.8495919019145355
Energy: 1.9780262741346106
Energy: 1.8589399100975095
Energy: 1.9780262741352468
Energy: 1.8495919019138998
Energy: 1.9780262741346106
Energy: 2.0986128520483436
Energy: 1.9320738009634344
Energy: 1.8463659601051683
Energy: 1.9320738009627987
Energy: 2.0986128520483436
Energy: 1.9320738009621627
Energy: 1.9891891268855486
Energy: 2.3457316093205565
Energy: 2.35957959951589
Energy: 2.3457316093192846
Energy: 1.9891891268855486
Energy: 2.3457316093199205
Energy: 2.195901822121618
Energy: 2.010651300905028
Energy: 1.8301481917071396
Energy: 2.010651300905664
Energy: 2.195901822122254
Energy: 2.0106513009024845
Energy: 1.8332011651007682
Energy: 1.9132988639645883
Energy: 2.3547693477421086
Energy: 1.9132988639645883
Energy: 1.8332011651001323
Energy: 1.9132988639645883
Energy: 1.8603580768860024
Energy: 2.5477513603648902
Energy: 2.0475829337455678
Energy: 2.5477513603648902
Energy: 1.8603580768847305
Energy: 2.5477513603648902
Energy: 1.8290485269082346
Energy: 1.8581607775092497
Energy: 2.0267965043494542
Energy: 1.8581607775092497
Energy: 1.8290485269075987
Energy: 1.8581607775098856
Energy: 1.9904191181414717
Energy: 2.1011124311980485
Energy: 1.83005691626897
Energy: 2.1011124311980485
Energy: 1.9904191181421076
Energy: 2.1011124311980485
Energy: 1.9970122678082385
Energy: 2.3129809410411246
Energy: 1.8870553929310034
Energy: 2.3129785272605177
Energy: 1.9970122678082385
Energy: 2.312984141461433
Energy: 1.978759805798734
Energy: 2.0204601346182027
Energy: 1.8445682959305834
Energy: 2.0204601346188387
Energy: 1.978759805797462
Energy: 2.0204601346188387
Energy: 1.8449299714860028
Energy: 2.1207304421224498
Energy: 1.9913223618552376
Energy: 2.120730442415522
Energy: 1.8449299714853669
Energy: 2.1207304421001902
Energy: 1.8571737653146987
Energy: 1.979448572857762
Energy: 1.8445709301505162
Energy: 1.979448572857762
Energy: 1.8571737653159706
Energy: 1.9794485728596696
Energy: 1.868925964077419
Energy: 2.079015772480531
Energy: 1.9896448040741705
Energy: 2.079015772480531
Energy: 1.868925964078691
Energy: 2.079015772479953
Energy: 1.830521274766844
Energy: 2.266007670808152
Energy: 1.9912518847840124
Energy: 2.266007670808152
Energy: 1.830521274765572
Energy: 2.26600767080688
Energy: 1.8304691762670686
Energy: 2.01204500335122
Energy: 1.8578598240727455
Energy: 2.0120450034033124
Energy: 1.8304691762670686
Energy: 2.0120450034338395
Energy: 2.5942025218499882
Energy: 2.1084431302913917
Energy: 1.829436765523387
Energy: 2.1084431303327302
Energy: 2.5942025218493523
Energy: 2.1084431304312496
Energy: 2.568844547011638
Energy: 2.194411530151046
Energy: 1.85969681696656
Energy: 2.194411530149138
Energy: 2.568844547011638
Energy: 2.1944115301504095
Energy: 1.8278259173726163
Energy: 2.0124567844391086
Energy: 1.8599633431311386
Energy: 2.0124567844384726
Energy: 1.8278259173719806
Energy: 2.0124567844391086
Energy: 1.8296628679415314
Energy: 2.2591970901093217
Energy: 1.988826605458116
Energy: 2.2591970901099576
Energy: 1.829662867938987
Energy: 2.259197090110593
Energy: 1.8690111838554848
Energy: 2.2948231024178316
Energy: 1.988893598976843
Energy: 2.2948231024184675
Energy: 1.8690111838561208
Energy: 2.294823102419104
Energy: 1.87068096670249
Energy: 2.010785820522935
Energy: 1.9789510372036292
Energy: 2.0107858209393297
Energy: 1.8706809667012179
Energy: 2.010785821135097
Energy: 1.978481076379724
Energy: 2.5931329928337905
Energy: 1.9774105265735904
Energy: 2.5931329928331546
Energy: 1.97848107638036
Energy: 2.5931329928337905
Energy: 1.9783730701342321
Energy: 2.011285263215325
Energy: 1.8650105202609661
Energy: 2.0112852344460954
Energy: 1.978373070135504
Energy: 2.011285249638668
Energy: 1.9890440649810217
Energy: 2.2952159943082098
Energy: 1.869175339323557
Energy: 2.2952159942916737
Energy: 1.9890440649797498
Energy: 2.2952159943400083
Energy: 1.990591391295998
Energy: 2.2598960989565366
Energy: 1.8298691134236607
Energy: 2.2598960989578085
Energy: 1.9905913912947262
Energy: 2.2598960989565366
Energy: 1.8599180233001174
Energy: 2.013372782108508
Energy: 1.832903487688336
Energy: 2.0133727821390353
Energy: 1.8599180232994814
Energy: 2.013372782123772
Energy: 1.8608742373723066
Energy: 2.1948948525322405
Energy: 2.2965508241136603
Energy: 2.1948948525303322
Energy: 1.8608742373723066
Energy: 2.1948948525316045
Energy: 1.8293481267021665
Energy: 2.1068762860648964
Energy: 2.589122353282421
Energy: 2.1068762860636245
Energy: 1.8293481267028024
Energy: 2.1068762860623527
Energy: 1.8574151527300802
Energy: 2.013014886894567
Energy: 1.8293377397983526
Energy: 2.0130148868926594
Energy: 1.8574151527294442
Energy: 2.0130148868932953
Energy: 1.9897135475504495
Energy: 2.26997393687719
Energy: 1.8285618293369923
Energy: 2.269973936877826
Energy: 1.989713547565713
Energy: 2.269973936876554

minimum gb energy = 1.8278259173719806 eV
minimum distance =  2.36742473928718 Angstroms
sigma value = 81


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

Energy: 1.7662174907106134
Energy: 1.766034573200904
Energy: 2.0314664910590703
Energy: 1.766034573200904
Energy: 1.7662174907103745
Energy: 1.7660345732013554
Energy: 2.2305318784103116
Energy: 1.7674707884670464
Energy: 1.7659300073848714
Energy: 1.7674707884672853
Energy: 2.2305318784103116
Energy: 1.7674707884670464
Energy: 1.7659226180413483
Energy: 1.7671836506949112
Energy: 2.230691723870813
Energy: 1.7671836506951504
Energy: 1.7659226180408703
Energy: 1.7671836506951504
Energy: 1.9889917693438741
Energy: 1.766034573201143
Energy: 1.7662174907103745
Energy: 1.7660345732013554
Energy: 1.9889917693434227
Energy: 1.7660345732018334
Energy: 1.7659300073846589
Energy: 1.7674707884672853
Energy: 2.2305318784100727
Energy: 1.7674707884670464
Energy: 1.7659300073848714
Energy: 1.7674707884672853
Energy: 2.230691723870813
Energy: 1.767183650695389
Energy: 1.765922618041109
Energy: 1.7671836506951504
Energy: 2.230691723870813
Energy: 1.7671836506956282
Energy: 1.7662174907106134
Energy: 1.7660345732013554
Energy: 1.9889917693436616
Energy: 1.7660345732013554
Energy: 1.766217490710826
Energy: 1.766034573200904
Energy: 2.230531878409834
Energy: 1.7674707884670464
Energy: 1.7659300073851103
Energy: 1.7674707884670464
Energy: 2.230531878409834
Energy: 1.7674707884672853
Energy: 1.765922618041109
Energy: 1.7671836506949112
Energy: 2.230691723870574
Energy: 1.7671836506951504
Energy: 1.765922618041109
Energy: 1.7671836506951504
Energy: 1.9889917693427057
Energy: 1.7660345732013554
Energy: 1.7662174907101353
Energy: 1.766034573201143
Energy: 1.9889917693434227
Energy: 1.766034573201143

minimum gb energy = 1.7659226180408703 eV
minimum distance =  2.42921025886046 Angstroms
sigma value = 3


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

Energy: 2.4056923726642103
Energy: 2.027451517443023
Energy: 2.5482349225654954
Energy: 2.027451517442324
Energy: 2.4056923726635113
Energy: 2.027451517442324
Energy: 2.435892958735224
Energy: 1.9185507017993595
Energy: 1.7950629605704698
Energy: 1.9185507018077506
Energy: 2.435892958386411
Energy: 1.9185507017958947
Energy: 1.8234772355088282
Energy: 1.8227777988172735
Energy: 2.0948792773969687
Energy: 1.8227777988186722
Energy: 1.8234772355088282
Energy: 1.8227777988193714
Energy: 2.545487497876726
Energy: 2.4144007279693884
Energy: 1.907359796627533
Energy: 2.4144007279700874
Energy: 2.5454874978774256
Energy: 2.4144007279693884
Energy: 1.8834221748729008
Energy: 1.8846662633397486
Energy: 2.4996485672011555
Energy: 1.8846662633390494
Energy: 1.8834221748729008
Energy: 1.8846662633397486
Energy: 2.0970408547990025
Energy: 1.910771064564074
Energy: 1.802854495853887
Energy: 1.9107710645647733
Energy: 2.097040854845123
Energy: 1.9107710645647733
Energy: 1.8835045576562846
Energy: 1.885101233213725
Energy: 2.162201177471133
Energy: 1.8851012332151236
Energy: 1.8835045576562846
Energy: 1.8851012332144241
Energy: 1.8856442320504156
Energy: 2.3652139044856986
Energy: 1.909613193498467
Energy: 2.365213904484999
Energy: 1.8856442320497167
Energy: 2.365213904486398
Energy: 1.8235497354419985
Energy: 2.2784921976980566
Energy: 2.374138654340146
Energy: 2.2784921976966586
Energy: 1.8235497354419985
Energy: 2.2784921976973576
Energy: 1.8252223748610974
Energy: 1.9181147791707849
Energy: 1.7933713619612237
Energy: 1.9181147791700857
Energy: 1.8252223748610974
Energy: 1.9181147791707849
Energy: 2.356572008838868
Energy: 1.7947981370221324
Energy: 1.9190187579034639
Energy: 1.7947981370221324
Energy: 2.3565720088395676
Energy: 1.7947981370214332
Energy: 2.4060781402127396
Energy: 2.174284296449393
Energy: 1.7933674718602146
Energy: 2.174284296450092
Energy: 2.4060781402106413
Energy: 2.174284296449393
Energy: 1.8233180072033142
Energy: 2.0094910680979905
Energy: 1.7955780045742977
Energy: 2.0094910680979905
Energy: 1.8233180072033142
Energy: 2.009491068097291
Energy: 1.8250617318832025
Energy: 2.0432635591488557
Energy: 1.915895609421385
Energy: 2.0432635591502546
Energy: 1.8250617318839017
Energy: 2.0432635591509536
Energy: 1.8846094410897811
Energy: 2.165813222815757
Energy: 1.9109818158465615
Energy: 2.1658132227940796
Energy: 1.8846094410911796
Energy: 2.1658132227940796
Energy: 1.8849264925267255
Energy: 2.258083831432801
Energy: 1.7995447164810214
Energy: 2.258083831432102
Energy: 1.8849264925253268
Energy: 2.258083831432102
Energy: 1.884518299009844
Energy: 2.2446447709076742
Energy: 1.800477474048493
Energy: 2.244644770908373
Energy: 1.884518299009844
Energy: 2.244644770908373
Energy: 1.8844025160843507
Energy: 2.0688772865317704
Energy: 1.909592185390505
Energy: 2.068877286531071
Energy: 1.8844025160822528
Energy: 2.068877286531071
Energy: 1.8234230723399212
Energy: 2.043137232650084
Energy: 1.9104778489248524
Energy: 2.04313723264379
Energy: 1.8234230723399212
Energy: 2.043137232649385
Energy: 1.823500692838378
Energy: 1.921442938269949
Energy: 1.7949793416073538
Energy: 1.921442938269949
Energy: 1.8235006928369795
Energy: 1.9214429382692493
Energy: 2.38388481301722
Energy: 2.1737457303070347
Energy: 1.7937079364365824
Energy: 2.173745730305636
Energy: 2.38388481301722
Energy: 2.1737457303063352
Energy: 2.3593636620137293
Energy: 1.792807879080959
Energy: 1.9159597203978287
Energy: 1.79280787907956
Energy: 2.3593636620137293
Energy: 1.792807879081658
Energy: 1.824453754824517
Energy: 1.9178279198941086
Energy: 1.793820097341048
Energy: 1.917827919894808
Energy: 1.8244537548252164
Energy: 1.9178279198941086
Energy: 1.823264361366303
Energy: 2.278130717570418
Energy: 2.3733359953119093
Energy: 2.2781307175697187
Energy: 1.823264361366303
Energy: 2.278130717570418
Energy: 1.8851959789961106
Energy: 2.069300940455613
Energy: 1.912766181192006
Energy: 2.069300940454914
Energy: 1.8851959789968096
Energy: 2.069300940454914
Energy: 1.8848788795757419
Energy: 2.0752161334687744
Energy: 1.9126212917533019
Energy: 2.075216133467376
Energy: 1.8848788795757419
Energy: 2.075216133465278
Energy: 1.8851403258529493
Energy: 2.159003808226009
Energy: 1.8028104046933284
Energy: 2.1590038082274075
Energy: 1.8851403258522497
Energy: 2.1590038082267085
Energy: 1.8849615890426925
Energy: 2.0325062724779914
Energy: 2.371431965099713
Energy: 2.032506272477292
Energy: 1.884961589041993
Energy: 2.032506272477292
Energy: 2.032444752624968
Energy: 2.2952507646948748
Energy: 1.9080798640054422
Energy: 2.2952507646941758
Energy: 2.032444752626367
Energy: 2.2952507646948748
Energy: 1.8251251656177534
Energy: 1.8238859663515923
Energy: 2.0968387997402047
Energy: 1.8238859663522913
Energy: 1.825125165617054
Energy: 1.8238859663529907
Energy: 2.43721167231183
Energy: 1.9270806046451636
Energy: 1.7999048030409421
Energy: 1.927080604643765
Energy: 2.43721167231183
Energy: 1.9270806046444646
Energy: 2.362890279259393
Energy: 2.3468505963120756
Energy: 1.9299384227446057
Energy: 2.346850596312775
Energy: 2.362890279258694
Energy: 2.346850596311376
Energy: 2.4368925678324413
Energy: 1.917170325420982
Energy: 1.7933194307739937
Energy: 1.917170325420283
Energy: 2.4368925678310425
Energy: 1.917170325420283

minimum gb energy = 1.79280787907956 eV
minimum distance =  2.4076323146583 Angstroms
sigma value = 67


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

Energy: 1.8900533447504726
Energy: 1.8827000924648707
Energy: 2.603933904074334
Energy: 1.8827000924648707
Energy: 1.8900533447514694
Energy: 1.8827000924648707
Energy: 2.491795644621481
Energy: 1.8297477887641866
Energy: 1.818149649611946
Energy: 1.82974778876319
Energy: 2.491795644693176
Energy: 1.8297477887641866
Energy: 1.8188407740650705
Energy: 1.9294881841058578
Energy: 2.1529072636094244
Energy: 1.9294881841068539
Energy: 1.8188407740640737
Energy: 1.9294881841068539
Energy: 2.4903327888743223
Energy: 2.301310370732851
Energy: 1.8209108246924102
Energy: 2.301310370732851
Energy: 2.490332788875319
Energy: 2.301310370732851
Energy: 1.8162941472685998
Energy: 2.5310975735685872
Energy: 2.4972540821465006
Energy: 2.5310975735685872
Energy: 1.8162941472685998
Energy: 2.5310975735685872
Energy: 1.8177990192769764
Energy: 2.3418939992606105
Energy: 1.8180335638341372
Energy: 2.3418939992576213
Energy: 1.81779901927598
Energy: 2.3418939992675853
Energy: 1.8409271541203664
Energy: 1.8321104378128095
Energy: 1.8377256312385388
Energy: 1.8321104378148025
Energy: 1.8409271541203664
Energy: 1.832110437813806
Energy: 1.8314504318233007
Energy: 2.263038616160913
Energy: 2.4712991474124477
Energy: 2.2630386161449705
Energy: 1.8314504318233007
Energy: 2.263038616154934
Energy: 1.8454849951199959
Energy: 2.1540466164387317
Energy: 2.4800961686029384
Energy: 2.1540466164387317
Energy: 1.8454849951209924
Energy: 2.1540466164397283
Energy: 1.8535802867840703
Energy: 1.8320613569970954
Energy: 1.8495308427715431
Energy: 1.8320613569960993
Energy: 1.8535802867840703
Energy: 1.8320613569960993
Energy: 1.8288936746655877
Energy: 2.2756659437255577
Energy: 1.8372073955149395
Energy: 2.2756659437265543
Energy: 1.8288936746645912
Energy: 2.2756659437265543
Energy: 1.8320576797852957
Energy: 1.952986629689231
Energy: 1.8321154246520706
Energy: 1.9529866296902272
Energy: 1.8320576797842996
Energy: 1.9529866296902272
Energy: 1.837180763801551
Energy: 2.275213579748111
Energy: 1.8289019899477956
Energy: 2.2752135797461177
Energy: 1.8371807638025475
Energy: 2.275213579748111
Energy: 1.8496137066130307
Energy: 1.8324782637088186
Energy: 1.8536087537885415
Energy: 1.8324782637098151
Energy: 1.8496137066120342
Energy: 1.832478263707822
Energy: 2.480058342503717
Energy: 2.1555090270366253
Energy: 1.845248314467921
Energy: 2.1555090270346327
Energy: 2.480058342503717
Energy: 2.1555090270396144
Energy: 2.4712858048608135
Energy: 2.26338742745972
Energy: 1.8305107324221983
Energy: 2.26338742745972
Energy: 2.4712858048608135
Energy: 2.26338742745972
Energy: 1.8373999311237692
Energy: 1.8318171839087862
Energy: 1.8302654521460737
Energy: 1.8318171839107789
Energy: 1.8373999311247655
Energy: 1.8318171839097828
Energy: 1.8177944113194968
Energy: 2.3425735962395047
Energy: 1.8262122277921347
Energy: 2.342573596240501
Energy: 1.8177944113194968
Energy: 2.342573596240501
Energy: 2.4970885896023733
Energy: 2.5311789312994466
Energy: 1.816787987066282
Energy: 2.5311789312994466
Energy: 2.497088589601377
Energy: 2.53117893129845
Energy: 1.8210069211715276
Energy: 2.300963483751121
Energy: 2.490385978431503
Energy: 2.3009634837521173
Energy: 1.821006921170531
Energy: 2.300963483751121
Energy: 2.153423996991024
Energy: 1.9294881841068539
Energy: 1.8302820289840096
Energy: 1.9294881841068539
Energy: 2.153423996991024
Energy: 1.9294881841078502
Energy: 1.8181280884888202
Energy: 1.8302644243614115
Energy: 2.488240099434649
Energy: 1.8302644243594182
Energy: 1.8181280884888202
Energy: 1.830264424360415
Energy: 2.2417599593826725
Energy: 1.8827000924638744
Energy: 1.8900533447514694
Energy: 1.8827000924638744
Energy: 2.2417599593826725
Energy: 1.8827000924648707

minimum gb energy = 1.8162941472685998 eV
minimum distance =  2.46798524728447 Angstroms
sigma value = 33


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

Energy: 2.2107201462168877
Energy: 1.854476113770052
Energy: 2.5869949410262234
Energy: 1.8544761137713164
Energy: 2.2107201462168877
Energy: 1.8544761137713164
Energy: 2.550377730319424
Energy: 2.1970071353890948
Energy: 1.8094527584432816
Energy: 2.197007135389727
Energy: 2.550377730318792
Energy: 2.197007135390359
Energy: 1.81076594516625
Energy: 1.891907088287316
Energy: 2.36924126963877
Energy: 1.891907088287316
Energy: 1.81076594516625
Energy: 1.8919070882879483
Energy: 1.900643601027247
Energy: 2.236848391880973
Energy: 1.8309465006094272
Energy: 2.2368483918803412
Energy: 1.9006436010278789
Energy: 2.2368483918803412
Energy: 2.151198746315798
Energy: 2.324669008307448
Energy: 2.110767696112553
Energy: 2.324669008307448
Energy: 2.151198746314534
Energy: 2.324669008307448
Energy: 2.1384919910716778
Energy: 2.149779218931701
Energy: 1.8198193770636075
Energy: 2.149779218931069
Energy: 2.1384919910742064
Energy: 2.1497792189304366
Energy: 1.8081150656775313
Energy: 1.8269123125698907
Energy: 1.8314153181019919
Energy: 1.8269123125698907
Energy: 1.8081150656775313
Energy: 1.8269123125692588
Energy: 1.831054040482259
Energy: 2.308103598677225
Energy: 2.13719681169681
Energy: 2.308103598677225
Energy: 1.8310540404816267
Energy: 2.3081035986778575
Energy: 2.1139711354434905
Energy: 2.1122651431047426
Energy: 2.140056898723005
Energy: 2.1122651431047426
Energy: 2.1139711354434905
Energy: 2.1122651431047426
Energy: 1.8280516667598745
Energy: 2.025307313151153
Energy: 1.803802815440842
Energy: 2.025307313151153
Energy: 1.8280516667598745
Energy: 2.0253073131517856
Energy: 1.8086799012614698
Energy: 2.28598497316179
Energy: 1.8312448113959816
Energy: 2.28598497316179
Energy: 1.8086799012614698
Energy: 2.28598497316179
Energy: 1.808169829510523
Energy: 1.9350690415258727
Energy: 2.5248644708982053
Energy: 1.9350690415252405
Energy: 1.808169829510523
Energy: 1.935069041527137
Energy: 2.124779651607209
Energy: 2.3309712776302436
Energy: 2.2001494239461614
Energy: 2.3309712776296116
Energy: 2.1247796516034163
Energy: 2.330971277631508
Energy: 1.8094755409247285
Energy: 2.2403026561831196
Energy: 1.8172009660606556
Energy: 2.2403026561831196
Energy: 1.8094755409240966
Energy: 2.2403026561818553
Energy: 2.1098925445573915
Energy: 1.8983345818927349
Energy: 1.8055709851486312
Energy: 1.8983345818921027
Energy: 2.109892544558024
Energy: 1.8983345818927349
Energy: 1.8306970189144427
Energy: 2.195402951501712
Energy: 2.449618640991003
Energy: 2.195402951501712
Energy: 1.8306970189138108
Energy: 2.195402951501712
Energy: 2.546831826331179
Energy: 2.0277523667582313
Energy: 2.1638324322546807
Energy: 2.027752368234799
Energy: 2.546831826331179
Energy: 2.0277523670223307
Energy: 1.8038412609648307
Energy: 1.8246471490274099
Energy: 2.40954131488357
Energy: 1.8246471490286744
Energy: 1.8038412609648307
Energy: 1.8246471490286744
Energy: 2.182102455607609
Energy: 1.826249346186429
Energy: 1.8059893282583834
Energy: 1.826249346186429
Energy: 2.182102455606344
Energy: 1.826249346186429
Energy: 2.176138848267308
Energy: 2.027625117242825
Energy: 1.832328312708867
Energy: 2.027625117242825
Energy: 2.176138848267308
Energy: 2.0276251172409285
Energy: 2.5205778188871455
Energy: 2.21394452166861
Energy: 1.8242982149079086
Energy: 2.213944521669874
Energy: 2.5205778188877774
Energy: 2.2139445216705065
Energy: 1.8062569140602598
Energy: 2.1773286559462357
Energy: 2.110227765522595
Energy: 2.1773286559456038
Energy: 1.8062569140589955
Energy: 2.1773286559462357
Energy: 1.8320058453200896
Energy: 2.2870874754641006
Energy: 1.8036529510484889
Energy: 2.2870874754641006
Energy: 1.8320058453194574
Energy: 2.2870874754641006
Energy: 2.20543640804267
Energy: 2.383561996182767
Energy: 1.8072159903825449
Energy: 2.3835619961821353
Energy: 2.205436408043934
Energy: 2.3835619961821353
Energy: 2.507921244296169
Energy: 1.9374640909815222
Energy: 1.8076678393370176
Energy: 1.9374640909682481
Energy: 2.507921244296169
Energy: 1.9374640909745693
Energy: 1.8277682967410083
Energy: 2.2815474506610975
Energy: 1.8081030311811912
Energy: 2.2815474506610975
Energy: 1.8277682967416402
Energy: 2.2815474506610975
Energy: 1.8053848665408858
Energy: 2.176959852366116
Energy: 2.1137177529016
Energy: 2.176959852365484
Energy: 1.8053848665408858
Energy: 2.176959852365484
Energy: 2.1422824309023967
Energy: 2.101622287219538
Energy: 1.8279461198031302
Energy: 2.101622287194254
Energy: 2.1422824309030286
Energy: 2.101622287194254
Energy: 2.140069594852585
Energy: 2.3082174290013584
Energy: 1.8316331867310178
Energy: 2.3082174290013584
Energy: 2.1400695948513206
Energy: 2.3082174290013584
Energy: 1.831272203679567
Energy: 1.8278485416967172
Energy: 1.8043195963568839
Energy: 1.8278485416973496
Energy: 1.8312722036801992
Energy: 1.827848541696085
Energy: 1.8086016561873899
Energy: 2.073756013671865
Energy: 2.5205044152126703
Energy: 2.0737560136712325
Energy: 1.808601656186758
Energy: 2.0737560136712325
Energy: 2.111950125481533
Energy: 2.03755451417307
Energy: 2.1747877541204614
Energy: 2.03755451417307
Energy: 2.1119501254827973
Energy: 2.037554514173702
Energy: 1.8279092969686026
Energy: 2.175360194438139
Energy: 2.222871320570053
Energy: 2.175360194438139
Energy: 1.8279092969686026
Energy: 2.1753601944387713
Energy: 2.3907341236583575
Energy: 1.8919086751815053
Energy: 1.8123064251131529
Energy: 1.8919086751815053
Energy: 2.3907341236551964
Energy: 1.8919086751815053
Energy: 1.8065588756169209
Energy: 2.1901079147979314
Energy: 2.3288606642320504
Energy: 2.1901079147972995
Energy: 1.8065588756162887
Energy: 2.1901079147979314
Energy: 2.1254122533782427
Energy: 2.0650764886046113
Energy: 2.222549959886156
Energy: 2.065076488603347
Energy: 2.125412253376346
Energy: 2.0650764885995545
Energy: 1.804351519335912
Energy: 2.318391552441959
Energy: 2.5390165948749175
Energy: 2.318391552434374
Energy: 1.804351519335912
Energy: 2.318391552441959

minimum gb energy = 1.8036529510484889 eV
minimum distance =  2.37243186595178 Angstroms
sigma value = 41


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

Energy: 1.6920674562457632
Energy: 1.6541606492085066
Energy: 2.7707841380368783
Energy: 1.6541606492067809
Energy: 1.692067456247489
Energy: 1.6541606492033292
Energy: 2.5061449801464386
Energy: 1.6461743838012577
Energy: 1.6459292096157028
Energy: 1.6461743838012577
Energy: 2.506144980144713
Energy: 1.6461743838012577
Energy: 1.6926247138107444
Energy: 1.9166188158750808
Energy: 1.6489262342450646
Energy: 1.916618815876807
Energy: 1.6926247138090185
Energy: 1.916618815876807
Energy: 2.465937061146961
Energy: 1.648907238717158
Energy: 1.6459692160555222
Energy: 1.648907238718884
Energy: 2.465937061146961
Energy: 1.648907238718884
Energy: 1.6898700268174207
Energy: 2.2531476795165877
Energy: 1.6498550926463842
Energy: 2.2531476795165877
Energy: 1.6898700268156948
Energy: 2.253147679518314
Energy: 1.693561240370721
Energy: 1.7243169298210923
Energy: 1.6479908687000469
Energy: 1.7243169298210923
Energy: 1.693561240370721
Energy: 1.7243169298210923
Energy: 2.461995205000184
Energy: 1.6468106644200478
Energy: 1.6537175227794663
Energy: 1.6468106644200478
Energy: 2.461995205000184
Energy: 1.6468106644200478
Energy: 1.6946026047289262
Energy: 1.6469377745181313
Energy: 1.658571784594457
Energy: 1.6469377745146796
Energy: 1.6946026047289262
Energy: 1.6469377745164053
Energy: 2.3622128830698763
Energy: 1.7228557946977883
Energy: 1.6467858480903452
Energy: 1.7228557946977883
Energy: 2.3622128830716016
Energy: 1.7228557946977883
Energy: 1.6949405724943127
Energy: 1.6476020672860439
Energy: 1.6470131655150841
Energy: 1.6476020672877698
Energy: 1.6949405724943127
Energy: 1.6476020672860439
Energy: 2.376533493423787
Energy: 1.6467665478951599
Energy: 1.6523686418664416
Energy: 1.6467665280485886
Energy: 2.376533493423787
Energy: 1.6467665338826638
Energy: 1.6859319168542266
Energy: 1.908797729481227
Energy: 2.41219271522845
Energy: 1.908797729481227
Energy: 1.6859319168525009
Energy: 1.908797729481227
Energy: 2.3772682937887697
Energy: 1.6466058266444434
Energy: 1.6523980219468222
Energy: 1.646605826580628
Energy: 2.3772682937887697
Energy: 1.6466058265771764
Energy: 1.694354409435718
Energy: 1.6476743795349538
Energy: 1.6462136741957616
Energy: 1.6476743795349538
Energy: 1.694354409435718
Energy: 1.6476743795332283

minimum gb energy = 1.6459292096157028 eV
minimum distance =  2.54566287002884 Angstroms
sigma value = 11


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

Energy: 2.3032256788585777
Energy: 1.9160755634155744
Energy: 2.428696670565205
Energy: 1.9160755640604765
Energy: 2.3032256788585777
Energy: 1.916075564200664
Energy: 2.2748913187512922
Energy: 2.4406953558186255
Energy: 1.9013751114215822
Energy: 2.440695355819384
Energy: 2.274891318752808
Energy: 2.440695355819384
Energy: 1.904430806230382
Energy: 2.067927143194519
Energy: 1.9054263455332008
Energy: 2.067927143195277
Energy: 1.904430806230382
Energy: 2.067927143194519
Energy: 1.9229252214020556
Energy: 2.032565387327853
Energy: 1.9014424567183361
Energy: 2.032565387327853
Energy: 1.9229252214020556
Energy: 2.032565387327095
Energy: 2.187849277553833
Energy: 2.161028938336003
Energy: 1.9288422516100892
Energy: 2.161028938337519
Energy: 2.187849277553833
Energy: 2.161028938336003
Energy: 1.9519590630130643
Energy: 2.2038506792154613
Energy: 2.180442025930404
Energy: 2.2038506792154613
Energy: 1.951959063012306
Energy: 2.2038506792162194
Energy: 1.9230802224953298
Energy: 2.209356005177636
Energy: 1.9512139400399373
Energy: 2.20935600517991
Energy: 1.923080222496088
Energy: 2.20935600517991
Energy: 1.9050427087657347
Energy: 2.030945238472865
Energy: 2.0092601790040656
Energy: 2.0309452384721065
Energy: 1.9050427087657347
Energy: 2.0309452384721065
Energy: 2.186682380621448
Energy: 2.1250134437693866
Energy: 1.9009996884037788
Energy: 2.1250134437686286
Energy: 2.186682380621448
Energy: 2.1250134437686286
Energy: 1.9028997666203213
Energy: 2.443719252033942
Energy: 2.0423102922692196
Energy: 2.4437192520347004
Energy: 1.9028997666491307
Energy: 2.4437192520347004
Energy: 2.136064808203371
Energy: 2.0030937701196128
Energy: 2.242257022435726
Energy: 2.0030937701203713
Energy: 2.1360648082041287
Energy: 2.0030937701218874
Energy: 1.9012825337997787
Energy: 2.2032367230885153
Energy: 2.2186979158403677
Energy: 2.2032367230892733
Energy: 1.9012825337990207
Energy: 2.203236723087757
Energy: 1.9031907822225684
Energy: 2.2480313740612
Energy: 2.0474536386036437
Energy: 2.248031374061958
Energy: 1.9031907822233263
Energy: 2.2480313740612
Energy: 1.922387889349685
Energy: 2.12497537763319
Energy: 1.9299949863099888
Energy: 2.12497537763319
Energy: 1.922387889349685
Energy: 2.12497537763319
Energy: 1.901514326070386
Energy: 2.3454795324045756
Energy: 2.11760451999737
Energy: 2.3454795324038167
Energy: 1.9015143260711438
Energy: 2.3454795324038167
Energy: 2.4369241164443713
Energy: 2.4356089162855388
Energy: 1.9922944143298666
Energy: 2.4356089162855388
Energy: 2.4369241164443713
Energy: 2.4356089162855388
Energy: 1.951291539774077
Energy: 2.432666403318026
Energy: 2.1185275837326896
Energy: 2.4326664033172674
Energy: 1.951291539774077
Energy: 2.4326664033172674
Energy: 2.190766550722819
Energy: 2.41483679309037
Energy: 1.9009071100233863
Energy: 2.4148367930896124
Energy: 2.190766550722819
Energy: 2.4148367930896124
Energy: 1.92575963175939
Energy: 1.927276432242582
Energy: 1.9237709262144953
Energy: 1.9272764322403075
Energy: 1.92575963175939
Energy: 1.9272764322433402
Energy: 1.9046752084226177
Energy: 2.228187841985291
Energy: 1.9004317988876989
Energy: 2.228187841984533
Energy: 1.9046752084226177
Energy: 2.2281878419868075
Energy: 2.2152441625661927
Energy: 2.202148476380007
Energy: 1.9018224212982213
Energy: 2.2021484763815233
Energy: 2.215244162565435
Energy: 2.2021484763815233
Energy: 2.232665631911802
Energy: 1.917904879591543
Energy: 2.1585685229212883
Energy: 1.917904879591543
Energy: 2.2326656319140765
Energy: 1.91790487958851
Energy: 2.0416922486225064
Energy: 2.4408935550997493
Energy: 1.9425250282668867
Energy: 2.4408935550997493
Energy: 2.0416922486217484
Energy: 2.4408935550997493
Energy: 1.9023412689586583
Energy: 2.1252127137038683
Energy: 2.2554210413206977
Energy: 2.1252127137038683
Energy: 1.902341268959416
Energy: 2.1252127137038683
Energy: 2.010158977459178
Energy: 2.0309529943563214
Energy: 1.9028544347182272
Energy: 2.0309529943563214
Energy: 2.010158977459178
Energy: 2.0309529943563214
Energy: 1.952324039571181
Energy: 2.2091831131699355
Energy: 1.923204336565648
Energy: 2.2091831131699355
Energy: 1.9523240395704224
Energy: 2.2091831131691775
Energy: 2.1814419355837664
Energy: 2.2038326709846405
Energy: 2.1887068205997675
Energy: 2.2038326709838825
Energy: 2.181441935583009
Energy: 2.203832670986157
Energy: 1.9264746918476132
Energy: 2.1601989749226718
Energy: 1.9517432602581006
Energy: 2.160198974913574
Energy: 1.9264746918468554
Energy: 2.1601989749476904
Energy: 1.9038694843922928
Energy: 2.0320406863466953
Energy: 1.9227382068935943
Energy: 2.032040686345937
Energy: 1.903869484391535
Energy: 2.0320406863466953
Energy: 1.9068371372516832
Energy: 2.213871479839413
Energy: 1.9041159729178552
Energy: 2.2138714798401713
Energy: 1.9068371372509256
Energy: 2.2138714798401713
Energy: 1.9002874239932188
Energy: 2.44162279663985
Energy: 2.256971564618923
Energy: 2.44162279663985
Energy: 1.900287423992461
Energy: 2.44162279663985

minimum gb energy = 1.900287423992461 eV
minimum distance =  2.42126447202339 Angstroms
sigma value = 57


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

Energy: 1.9961110455596642
Energy: 2.130252010496948
Energy: 2.545650295262166
Energy: 2.130252010496948
Energy: 1.9961110455596642
Energy: 2.130252010498297
Energy: 1.9334525643376477
Energy: 2.1524800895936265
Energy: 1.9129435254596578
Energy: 2.1067805156670474
Energy: 1.9334525643376477
Energy: 2.0849330367249803
Energy: 1.913431626775936
Energy: 2.0864739001454513
Energy: 1.9137949940156385
Energy: 2.0864739001454513
Energy: 1.913431626775936
Energy: 2.0864739001454513
Energy: 1.9147861690991232
Energy: 2.142007302838726
Energy: 1.9135100448427482
Energy: 2.4295152435620997
Energy: 1.9147861690991232
Energy: 2.108042803776637
Energy: 1.9137490669913335
Energy: 2.0863947853197975
Energy: 1.9129311640132565
Energy: 2.0863947853197975
Energy: 1.9137490669913335
Energy: 2.0863947853197975
Energy: 1.9131130290545786
Energy: 2.106763374241148
Energy: 1.9333989647590684
Energy: 2.106763374241148
Energy: 1.9131130290545786
Energy: 2.106763374241148
Energy: 2.560326112665043
Energy: 2.130252010498297
Energy: 1.9961110455596642
Energy: 2.130252010498297
Energy: 2.560326112665043
Energy: 2.130252010498297
Energy: 1.9129435254583087
Energy: 2.1524800895936265
Energy: 1.9334525643376477
Energy: 2.1524800895936265
Energy: 1.9129435254596578
Energy: 2.1524800895936265
Energy: 1.9137949940156385
Energy: 2.0864739001454513
Energy: 1.913431626775936
Energy: 2.0864739001454513
Energy: 1.9137949940156385
Energy: 2.0864739001454513
Energy: 1.9135100448427482
Energy: 2.1420073028346787
Energy: 1.9147861690991232
Energy: 2.108042803776637
Energy: 1.9135100448427482
Energy: 2.1420073028441227
Energy: 1.9129311640132565
Energy: 2.0863947853197975
Energy: 1.9137490669913335
Energy: 2.0863947853197975
Energy: 1.9129311640119073
Energy: 2.0863947853197975
Energy: 1.9333989647590684
Energy: 2.1067633742397986
Energy: 1.9131130290545786
Energy: 2.106763374241148
Energy: 1.9333989647590684
Energy: 2.106763374241148
Energy: 1.9961110455596642
Energy: 2.130252010498297
Energy: 2.436916881257142
Energy: 2.130252010498297
Energy: 1.996111045558315
Energy: 2.130252010498297
Energy: 1.933452564338966
Energy: 2.0849330367263295
Energy: 1.9129435254583087
Energy: 2.0849330367249803
Energy: 1.9334525643376477
Energy: 2.0849330367249803
Energy: 1.913431626775936
Energy: 2.0864739001454513
Energy: 1.9137949940156385
Energy: 2.0864739001454513
Energy: 1.913431626775936
Energy: 2.0864739001454513
Energy: 1.9147861690991232
Energy: 2.1080428037752874
Energy: 1.9135100448427482
Energy: 2.108042803776637
Energy: 1.9147861690991232
Energy: 2.108042803776637
Energy: 1.9137490669926824
Energy: 2.0863947853211466
Energy: 1.9129311640132565
Energy: 2.0863947853197975
Energy: 1.9137490669913335
Energy: 2.0863947853197975

minimum gb energy = 1.9129311640119073 eV
minimum distance =  2.45184297606346 Angstroms
sigma value = 9


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

Energy: 2.1803477169598935
Energy: 2.351315472183925
Energy: 2.08932497337714
Energy: 2.351315472182823
Energy: 2.1803477169598935
Energy: 2.351315472182823
Energy: 2.0802368142066703
Energy: 2.261422727470337
Energy: 1.9890957895488588
Energy: 2.2614227274681333
Energy: 2.080236814205569
Energy: 2.2614227274714382
Energy: 1.9872357489190198
Energy: 2.0804516235735626
Energy: 1.9910375032244314
Energy: 2.080451623572461
Energy: 1.9872357489179182
Energy: 2.080451623571359
Energy: 2.012580927521727
Energy: 2.075960720441568
Energy: 2.085473712763875
Energy: 2.075960720441568
Energy: 2.0125809275228286
Energy: 2.0759607204426698
Energy: 2.0909939517062024
Energy: 2.310561314864178
Energy: 1.9909598885085582
Energy: 2.310561314864178
Energy: 2.0909939517062024
Energy: 2.310561314864178
Energy: 2.0128799069024064
Energy: 2.075785204700649
Energy: 2.080491116514049
Energy: 2.075785204700649
Energy: 2.0128799069013046
Energy: 2.0757852046995477
Energy: 2.012811364903491
Energy: 2.220447475020468
Energy: 1.9927065608131618
Energy: 2.220447475020468
Energy: 2.012811364903491
Energy: 2.220447475020468
Energy: 2.0886613207237783
Energy: 2.2425397185349114
Energy: 1.98935401535792
Energy: 2.24253971853381
Energy: 2.0886613207237783
Energy: 2.2425397185349114
Energy: 2.0857359826085395
Energy: 2.2300959797083166
Energy: 2.095432107407969
Energy: 2.230095979699504
Energy: 2.0857359826096413
Energy: 2.2300959797105193
Energy: 2.096059384805151
Energy: 2.1191731839384262
Energy: 2.0212105819164616
Energy: 2.119173183945036
Energy: 2.096059384804049
Energy: 2.1191731839505437
Energy: 1.9887842745650275
Energy: 2.0821912104128852
Energy: 2.0855039124416517
Energy: 2.082191210411783
Energy: 1.9887842745650275
Energy: 2.0821912104128852
Energy: 1.9857254970992129
Energy: 2.0807934956020313
Energy: 2.0891556614123363
Energy: 2.080793495604235
Energy: 1.9857254970992129
Energy: 2.0807934956031326
Energy: 1.9894438669891998
Energy: 2.0588830925324992
Energy: 2.0850798469499816
Energy: 2.0588830925324992
Energy: 1.9894438669903012
Energy: 2.0588830925324992
Energy: 1.9858663530173741
Energy: 2.177798211308138
Energy: 2.0900793074247224
Energy: 2.177798211308138
Energy: 1.9858663530173741
Energy: 2.177798211308138
Energy: 2.0900204272143443
Energy: 2.1218150616886526
Energy: 2.037491485163702
Energy: 2.1218150616886526
Energy: 2.0900204272143443
Energy: 2.1218150616875517
Energy: 2.085526411065724
Energy: 2.2298491442189334
Energy: 2.0885397837555675
Energy: 2.2298491442178325
Energy: 2.085526411065724
Energy: 2.2298491442178325
Energy: 2.0851591177418722
Energy: 2.233772225765359
Energy: 2.032246270015042
Energy: 2.233772225766461
Energy: 2.0851591177418722
Energy: 2.233772225766461
Energy: 2.2017053588135127
Energy: 2.337151175946338
Energy: 2.021754514215413
Energy: 2.337151175945236
Energy: 2.201705358812411
Energy: 2.337151175945236
Energy: 1.9897413978900527
Energy: 2.1765619603038946
Energy: 2.1203857101134123
Energy: 2.176561960304996
Energy: 1.9897413978900527
Energy: 2.176561960304996
Energy: 1.9854219699089821
Energy: 2.187376924215489
Energy: 2.021651636234454
Energy: 2.187376924217692
Energy: 1.9854219699067792
Energy: 2.187376924216591
Energy: 1.9902359619112435
Energy: 2.0773087838071023
Energy: 2.0857768481161543
Energy: 2.0773087838060005
Energy: 1.9902359619112435
Energy: 2.0773087838048987

minimum gb energy = 1.9854219699067792 eV
minimum distance =  2.46868546294436 Angstroms
sigma value = 27


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

Energy: 2.1565002070795223
Energy: 2.3509806471986643
Energy: 2.241912687160982
Energy: 2.350980647196808
Energy: 2.1565002070785937
Energy: 2.3509806471958794
Energy: 2.045824883162636
Energy: 2.28610171749319
Energy: 1.9957775660624195
Energy: 2.2861017174941187
Energy: 2.045824883162636
Energy: 2.28610171749319
Energy: 1.9991822824603969
Energy: 1.999197065847981
Energy: 1.9959904933819703
Energy: 1.9991970658489095
Energy: 1.9991822824594683
Energy: 1.9991970658489095
Energy: 2.0063806551166037
Energy: 2.112375503320091
Energy: 2.1110483909995534
Energy: 2.112375503320091
Energy: 2.0063806551166037
Energy: 2.112375503321019
Energy: 2.044897385944313
Energy: 2.3139693910268635
Energy: 1.9978204140303695
Energy: 2.3139693910268635
Energy: 2.044897385944313
Energy: 2.3139693910268635
Energy: 2.0108618577143313
Energy: 2.0123312957966584
Energy: 2.006036325880231
Energy: 2.0123312957966584
Energy: 2.0108618577134028
Energy: 2.0123312957975874
Energy: 2.0075494277561843
Energy: 2.123416403977208
Energy: 1.998864297558022
Energy: 2.1234164039781365
Energy: 2.0075494277561843
Energy: 2.1234164039781365
Energy: 1.9958483142897436
Energy: 2.140690780060187
Energy: 2.000248743442479
Energy: 2.140690780060187
Energy: 1.9958483142906722
Energy: 2.1406907800592583
Energy: 2.0674202206945917
Energy: 2.1180737767416096
Energy: 2.075301289850226
Energy: 2.1180737767416096
Energy: 2.0674202206964494
Energy: 2.1180737767416096
Energy: 1.9963131197481288
Energy: 2.269168663153747
Energy: 2.0835235722904177
Energy: 2.269168663153747
Energy: 1.9963131197490576
Energy: 2.269168663153747
Energy: 1.9964163353735747
Energy: 2.2689146381983987
Energy: 2.0832872929428916
Energy: 2.2689146381983987
Energy: 1.996416335372646
Energy: 2.2689146381983987
Energy: 2.067434275072197
Energy: 2.1180921873666465
Energy: 2.0756458988141597
Energy: 2.1180921873666465
Energy: 2.0674342750731256
Energy: 2.1180921873666465
Energy: 1.9957325010221993
Energy: 2.1405971802483417
Energy: 1.999133980394174
Energy: 2.1405971802427706
Energy: 1.9957325010221993
Energy: 2.1405971802436996
Energy: 2.0073885448560405
Energy: 2.1234741982489296
Energy: 1.9988956178841528
Energy: 2.1234741982489296
Energy: 2.0073885448560405
Energy: 2.1234741982489296
Energy: 2.0110608497995885
Energy: 2.0117627005787115
Energy: 2.006281092220835
Energy: 2.0117627005777834
Energy: 2.0110608497995885
Energy: 2.0117627005795984
Energy: 2.044853346886449
Energy: 2.313969391027792
Energy: 1.9981419261437852
Energy: 2.3139693910268635
Energy: 2.044853346886449
Energy: 2.313969391025935
Energy: 2.006427521143901
Energy: 2.112325799578546
Energy: 2.0507635001695457
Energy: 2.112325799578546
Energy: 2.0064275211429723
Energy: 2.112325799578546
Energy: 1.999280488839361
Energy: 1.999139698056234
Energy: 1.9959367840866582
Energy: 1.9991396980590197
Energy: 1.9992804888365752
Energy: 1.9991396980618055
Energy: 2.045787609881486
Energy: 2.284302639353954
Energy: 2.0021941424631775
Energy: 2.2843026393520964
Energy: 2.045787609881486
Energy: 2.284302639353954
Energy: 2.1565002070795223
Energy: 2.3509806471977366
Energy: 2.1319744471251427
Energy: 2.3509806471977366
Energy: 2.1565002070795223
Energy: 2.3509806471977366
Energy: 2.045824883162636
Energy: 2.28610171749319
Energy: 1.9957775660624195
Energy: 2.28610171749319
Energy: 2.045824883162636
Energy: 2.2861017174922615
Energy: 1.9991822824594683
Energy: 1.999197065847981
Energy: 1.9959904933819703
Energy: 1.999197065847981
Energy: 1.9991822824603969
Energy: 1.9991970658489095
Energy: 2.0063806551166037
Energy: 2.112375503320091
Energy: 2.1110483910004816
Energy: 2.112375503320091
Energy: 2.006380655115675
Energy: 2.112375503320091
Energy: 2.044897385944313
Energy: 2.313969391025935
Energy: 1.9978204140303695
Energy: 2.3139693910268635
Energy: 2.0448973859452417
Energy: 2.313969391027792
Energy: 2.010861857712474
Energy: 2.0123312957985156
Energy: 2.006036325880231
Energy: 2.0123312957985156
Energy: 2.010861857712474
Energy: 2.0123312957985156

minimum gb energy = 1.9957325010221993 eV
minimum distance =  2.44406981365966 Angstroms
sigma value = 19


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

Energy: 2.163739903745442
Energy: 1.9416923245853792
Energy: 2.0869202424633624
Energy: 1.9416923245853792
Energy: 2.1637399037446405
Energy: 1.9416923245853792
Energy: 2.0170225193288265
Energy: 2.1099125331735706
Energy: 1.98648496784358
Energy: 2.1099125331743718
Energy: 2.0170225193280253
Energy: 2.1099125331743718
Energy: 1.941864800291856
Energy: 2.214582087786512
Energy: 1.9865021711524555
Energy: 2.21458208778571
Energy: 1.9418648002926575
Energy: 2.21458208778571
Energy: 2.019387522636704
Energy: 2.1743054978785157
Energy: 1.973529029867487
Energy: 2.174305497877714
Energy: 2.019387522636704
Energy: 2.174305497877714
Energy: 1.9506815233453676
Energy: 2.187586407672147
Energy: 1.9325138438015885
Energy: 2.1875864076713456
Energy: 1.9506815233453676
Energy: 2.187586407672147
Energy: 1.9603720627454901
Energy: 2.096527489910387
Energy: 1.9329774092113985
Energy: 2.0965274899095854
Energy: 1.9603720627446888
Energy: 2.0965274899095854
Energy: 1.9781869297381702
Energy: 2.153964956970982
Energy: 1.932858504266142
Energy: 2.153964956970982
Energy: 1.9781869297381702
Energy: 2.153964956970982
Energy: 1.9332119361201614
Energy: 2.095937425740697
Energy: 1.932908837023481
Energy: 2.095937425739896
Energy: 1.9332119361201614
Energy: 2.095937425739896
Energy: 1.9346875239529402
Energy: 2.1807422045352944
Energy: 2.009519612134142
Energy: 2.1807422045352944
Energy: 1.9346875239521388
Energy: 2.1807422045352944
Energy: 1.9522147926502968
Energy: 1.8961521907914667
Energy: 1.988829417132045
Energy: 1.896152190794673
Energy: 1.9522147926502968
Energy: 1.8961521907906653
Energy: 1.9339407926643237
Energy: 2.219845882928362
Energy: 1.9338938590780457
Energy: 2.219845882929163
Energy: 1.9339407926651249
Energy: 2.219845882928362
Energy: 1.9181999221288364
Energy: 1.883754304312079
Energy: 1.9028469560582981
Energy: 1.883754304312079
Energy: 1.9181999221288364
Energy: 1.8837543043112777
Energy: 1.9189254368479747
Energy: 1.905228783461598
Energy: 1.9440900831202867
Energy: 1.9052287834607962
Energy: 1.9189254368471735
Energy: 1.905228783461598
Energy: 1.9403667868343994
Energy: 2.2189731283497074
Energy: 2.1000833013974467
Energy: 2.2189731283497074
Energy: 1.940366786833598
Energy: 2.2189731283497074
Energy: 1.9515842052818266
Energy: 2.1722367550496764
Energy: 1.937985272399887
Energy: 2.1722367550504775
Energy: 1.9515842052834298
Energy: 2.1722367550504775
Energy: 1.9510569941279
Energy: 2.106711125840858
Energy: 1.939256051656584
Energy: 2.106711125840057
Energy: 1.9510569941279
Energy: 2.106711125840858
Energy: 1.9577041731477418
Energy: 2.0966468216944607
Energy: 1.932136989347944
Energy: 2.0966468216944607
Energy: 1.9577041731477418
Energy: 2.0966468216952627
Energy: 1.918941492800223
Energy: 2.2311897277411084
Energy: 1.8994406738251242
Energy: 2.2311897277411084
Energy: 1.9189414928010244
Energy: 2.2311897277411084
Energy: 1.9586224667980252
Energy: 2.0971607333047686
Energy: 1.9323796860673192
Energy: 2.09716073330557
Energy: 1.9586224667988266
Energy: 2.09716073330557
Energy: 1.951188611273981
Energy: 2.1032907973814314
Energy: 1.9390092138256487
Energy: 2.1032907973814314
Energy: 1.9511886112731796
Energy: 2.1032907973814314
Energy: 1.9507147890929395
Energy: 2.1768695838492866
Energy: 1.9435192286577947
Energy: 2.176869583848485
Energy: 1.9507147890921381
Energy: 2.176869583848485
Energy: 1.9159633566137806
Energy: 2.198831301222737
Energy: 2.1002498507440057
Energy: 2.1988313012235388
Energy: 1.9159633566137806
Energy: 2.1988313012235388
Energy: 1.9764118642227246
Energy: 1.90347620138261
Energy: 1.9871950278759383
Energy: 1.90347620138261
Energy: 1.9764118642219228
Energy: 1.903476201383375
Energy: 1.9746348363200017
Energy: 1.95672267390511
Energy: 1.9062348967776896
Energy: 1.95672267390511
Energy: 1.9746348363208033
Energy: 1.9567226739043084
Energy: 1.988907085246925
Energy: 2.1985263138916076
Energy: 2.0631233437800938
Energy: 2.1985263138916076
Energy: 1.9889070852461237
Energy: 2.1985263138916076
Energy: 1.9512612736088006
Energy: 2.2009388029303816
Energy: 1.9878928785337813
Energy: 2.2009388029303816
Energy: 1.9512612736079993
Energy: 2.2009388029303816
Energy: 1.9330336156518526
Energy: 2.197324235321505
Energy: 1.9698747125038558
Energy: 2.197324235321505
Energy: 1.9330336156518526
Energy: 2.197324235321505
Energy: 1.924631000144567
Energy: 2.0955868982003945
Energy: 1.9326991099944582
Energy: 2.0955868982003945
Energy: 1.924631000144567
Energy: 2.0955868982003945
Energy: 1.9715497993172655
Energy: 2.1575498992797226
Energy: 1.9328091026256238
Energy: 2.1575498992797226
Energy: 1.9715497993180673
Energy: 2.1575498992797226

minimum gb energy = 1.8837543043112777 eV
minimum distance =  2.43447671944373 Angstroms
sigma value = 101


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

Energy: 2.0223789131407393
Energy: 2.1875986840054518
Energy: 1.9733456945191323
Energy: 2.1875986840054518
Energy: 2.0223789131407393
Energy: 2.1875986840054518
Energy: 1.8404144567412979
Energy: 2.0383385949642108
Energy: 1.8978887590169788
Energy: 2.0383385949642108
Energy: 1.8404144567412979
Energy: 2.0383385949642108
Energy: 1.8328105363093639
Energy: 2.0929752209554993
Energy: 1.89472334596127
Energy: 2.0929752209547945
Energy: 1.8328105363093639
Energy: 2.0929752209547945
Energy: 1.8392627280799925
Energy: 2.0946850217116704
Energy: 1.883772119152198
Energy: 2.116426303450148
Energy: 1.8392627280806966
Energy: 2.0645052580172027
Energy: 1.839944290830787
Energy: 2.1334811348273486
Energy: 1.8480840400759235
Energy: 2.133481134828053
Energy: 1.839944290830787
Energy: 2.1334811348273486
Energy: 1.836104992919488
Energy: 2.0427789907538507
Energy: 1.848053638273795
Energy: 2.0427789907538507
Energy: 1.836104992919488
Energy: 2.0427789907538507
Energy: 1.8386246532419959
Energy: 2.094595241171168
Energy: 1.8236064667372252
Energy: 2.094595241171168
Energy: 1.8386246532419959
Energy: 2.094595241171168
Energy: 1.8468710641912576
Energy: 2.0878365706331508
Energy: 1.8444288093093284
Energy: 2.065188750200752
Energy: 1.8468710641912576
Energy: 2.0960792070529166
Energy: 1.8399752242838443
Energy: 2.0420419739873363
Energy: 1.8332481009836725
Energy: 2.042041973988041
Energy: 1.8399752242831398
Energy: 2.0420419739873363
Energy: 1.8424377395837892
Energy: 2.0989793470459164
Energy: 1.8250638753599502
Energy: 2.098979347045212
Energy: 1.8424377395837892
Energy: 2.0989793470459164
Energy: 1.9214272612543555
Energy: 2.037480239204805
Energy: 1.916322806435911
Energy: 2.0374802392055096
Energy: 1.9214272612543555
Energy: 2.0374802392055096
Energy: 1.8977424614449179
Energy: 2.0943444623202656
Energy: 1.8397339351650135
Energy: 2.0943444623202656
Energy: 1.8977424614449179
Energy: 2.0943444623202656
Energy: 1.8949878937039253
Energy: 2.109666378723696
Energy: 1.8690993704543337
Energy: 2.109666378723696
Energy: 1.8949878937039253
Energy: 2.109666378723696
Energy: 1.8838070149311144
Energy: 1.85735609084472
Energy: 1.8382822218487502
Energy: 1.9682252854902864
Energy: 1.8838070149311144
Energy: 1.8368282180959559
Energy: 1.8336283815500949
Energy: 1.8073882412003102
Energy: 1.8381148724260097
Energy: 1.8073882412003102
Energy: 1.8336283815507994
Energy: 1.8073882412003102
Energy: 1.8943764575398128
Energy: 2.1219146328097978
Energy: 1.836857248615566
Energy: 2.121914632809093
Energy: 1.8943764575398128
Energy: 2.121914632809093
Energy: 1.82346430055584
Energy: 2.1165077554255873
Energy: 1.8403546862348754
Energy: 2.1165077554255873
Energy: 1.82346430055584
Energy: 2.1165077554248826
Energy: 1.8437068532278078
Energy: 2.041836373372338
Energy: 1.8423837528472897
Energy: 2.0418363733716336
Energy: 1.8437068532278078
Energy: 2.0418363733716336
Energy: 1.870222134247764
Energy: 2.043672399966402
Energy: 1.833999242306623
Energy: 2.0436723999656974
Energy: 1.870222134247764
Energy: 2.043672399966402
Energy: 1.8259363856313306
Energy: 2.178730506283659
Energy: 1.8421381537128798
Energy: 2.1787305062843636
Energy: 1.8259363856313306
Energy: 2.1787305062843636
Energy: 1.8751842897064022
Energy: 1.8759567844073133
Energy: 1.8447338524282464
Energy: 1.8759567844080183
Energy: 1.875184289707107
Energy: 1.8759567844080183
Energy: 1.8244975832694912
Energy: 2.0442687853950985
Energy: 1.8419210115606957
Energy: 2.0442687853950985
Energy: 1.824497583270196
Energy: 2.0442687853950985
Energy: 1.8389319305818264
Energy: 2.0301217866937376
Energy: 1.8403197961786502
Energy: 2.030121786693033
Energy: 1.8389319305818264
Energy: 2.0301217866937376
Energy: 1.8391567814685867
Energy: 2.0743240449173643
Energy: 1.920026288829812
Energy: 2.0968423771608196
Energy: 1.8391567814671776
Energy: 2.0743240449173643
Energy: 1.8400689540516149
Energy: 2.060508808060734
Energy: 1.8341796707887421
Energy: 2.0605088080600296
Energy: 1.8400689540516149
Energy: 2.0605088080600296
Energy: 1.869674966390391
Energy: 2.1212601993366764
Energy: 1.8942510551855691
Energy: 2.1212601993373816
Energy: 1.869674966390391
Energy: 2.1212601993366764
Energy: 1.8377642667623357
Energy: 1.8080367093231853
Energy: 1.8066410003798166
Energy: 1.8080367093238898
Energy: 1.8377642667630405
Energy: 1.8080367093245941
Energy: 1.8379220170383568
Energy: 1.8081406207354422
Energy: 1.8092493059883912
Energy: 1.8081406207375557
Energy: 1.8379220170397659
Energy: 1.8081406207368513
Energy: 1.972897121878161
Energy: 2.142773048583724
Energy: 1.971505391139805
Energy: 2.1427730485844285
Energy: 1.972897121877457
Energy: 2.1427730485844285
Energy: 1.8423729351093414
Energy: 2.023618032441074
Energy: 1.8089021064435693
Energy: 2.023618032441074
Energy: 1.8423729351093414
Energy: 2.023618032441779
Energy: 1.8394045144285691
Energy: 2.0984598042610796
Energy: 1.838796575111405
Energy: 2.0984598042610796
Energy: 1.8394045144278643
Energy: 2.0984598042610796
Energy: 1.8697499706689333
Energy: 2.0317605692381973
Energy: 1.847310514210511
Energy: 2.031760569238902
Energy: 1.8697499706689333
Energy: 2.031760569237493
Energy: 1.8401177176136214
Energy: 2.1788361095040005
Energy: 1.8480290404582764
Energy: 2.178836109504705
Energy: 1.8401177176129166
Energy: 2.178836109504705

minimum gb energy = 1.8066410003798166 eV
minimum distance =  2.44543758619387 Angstroms
sigma value = 33


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

Energy: 0.019687820803004994
Energy: 0.020002162603915255
Energy: 11.96382943689494
Energy: 0.020002162604468122
Energy: 0.019687820803004994
Energy: 0.020002162604468122
Energy: 0.019949626488950448
Energy: 1.0330392042220757
Energy: 0.019949626488950448
Energy: 1.0330392042214902
Energy: 0.019949626488950448
Energy: 1.0330392042214902
Energy: 7.2707064886601005
Energy: 0.020002162603915255
Energy: 0.019687820803004994
Energy: 0.020002162604468122
Energy: 12.07467237990396
Energy: 0.020002162604468122
Energy: 0.019949626488950448
Energy: 1.0330392042220757
Energy: 0.019949626488950448
Energy: 1.0330392042220757
Energy: 0.019949626488950448
Energy: 1.0330392042220757

minimum gb energy = 0.019687820803004994 eV
minimum distance =  2.6984647763517 Angstroms
sigma value = 1