Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.487144187092781
cohesive_energy=4.453657130216031
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: -8.48587586902969e-25 eV

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

Energy: 0.022681327158123987
Energy: 0.6693998696742441
Energy: 0.9471538761735542
Energy: 0.6693314024287879
Energy: 0.022681327158123987
Energy: 0.6693998696742441
Energy: 0.6733376640184033
Energy: 0.6726259048173905
Energy: 0.023115616794377916
Energy: 0.38450111695685757
Energy: 0.02309405441054179
Energy: 0.6726259048173905
Energy: 0.023115616794377916
Energy: 0.38450111695685757
Energy: 0.022681327158123987
Energy: 0.6693998696742441
Energy: 0.9471666440557053
Energy: 0.6693314024287879
Energy: 0.022681327158123987
Energy: 0.6693998696742441
Energy: 0.6733376640184033
Energy: 0.6726259048173905
Energy: 0.023115616794377916
Energy: 0.38450111695685757
Energy: 0.02309405441054179
Energy: 0.6726259048173905
Energy: 0.023115616794377916
Energy: 0.38450111695685757
Energy: 0.022681327158123987
Energy: 0.6693998696742441
Energy: 0.6733376640184033
Energy: 0.6693314024287879
Energy: 0.022681327158123987
Energy: 0.6693998696742441
Energy: 0.6733376640184033
Energy: 0.6726259048173905
Energy: 0.023115616794377916
Energy: 0.38450111695685757
Energy: 0.02309405441054179
Energy: 0.6726259048173905
Energy: 0.023115616794377916
Energy: 0.38450111695685757

minimum gb energy = 0.022681327158123987 eV
minimum distance =  2.44873996916282 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.68048180647027
Energy: 1.6401553792887855
Energy: 1.6579690746168205
Energy: 1.6409074162990331
Energy: 1.68048180647027
Energy: 1.6401553792920727
Energy: 1.6579690746168205
Energy: 1.579434216124173
Energy: 1.587794609270836
Energy: 1.5806949687422278
Energy: 1.6108548992497453
Energy: 1.579434216124173
Energy: 1.587794609270836
Energy: 1.5806949687422278
Energy: 1.5691144630277682
Energy: 1.5700499571110402
Energy: 1.6332649157699541
Energy: 1.6150703916156801
Energy: 1.5691144630277682
Energy: 1.5700499571110402
Energy: 1.6332649157699541
Energy: 1.7025124485644993
Energy: 1.5891234733525352
Energy: 1.5492172551731793
Energy: 1.6050537233178137
Energy: 1.7025124485644993
Energy: 1.5891234733525352
Energy: 1.5492172551731793
Energy: 1.5850636853298432
Energy: 1.5568046208155364
Energy: 1.68427201059473
Energy: 1.5593779492364088
Energy: 1.5850636853298432
Energy: 1.5568046208155364
Energy: 1.6731492543753683
Energy: 1.639553545657441
Energy: 1.592640830430782
Energy: 1.6262076910342
Energy: 1.585952384087238
Energy: 1.639553545657441
Energy: 1.592640830430782
Energy: 1.6262076910342
Energy: 1.5649278310143935
Energy: 1.5955371503501825
Energy: 1.6545548415361893
Energy: 1.5922260592637312
Energy: 1.5649278310143935
Energy: 1.5955371503501825
Energy: 1.653351173271812
Energy: 1.5658447177260484
Energy: 1.5759553613634718
Energy: 1.5881966469198847
Energy: 1.5709392552226702
Energy: 1.5658447177260484
Energy: 1.5759553613634718
Energy: 1.5881966469198847
Energy: 1.5475590337129683
Energy: 1.6048431409498687
Energy: 1.5729433467791452
Energy: 1.5836313328221727
Energy: 1.5475590337129683
Energy: 1.6048431409498687
Energy: 1.5729433467824325
Energy: 1.587057135715548
Energy: 1.5981833972287571
Energy: 1.6177673585117802
Energy: 1.5938381935945336
Energy: 1.587057135715548
Energy: 1.5981833972287571
Energy: 1.6177673585150671
Energy: 1.5791424531081315
Energy: 1.5899627657042201
Energy: 1.6298806336184464
Energy: 1.6714857195906687
Energy: 1.5791424531081315
Energy: 1.5899627657042201
Energy: 1.6298806336184464
Energy: 1.6233242445821225
Energy: 1.6265698129103536
Energy: 1.651986716171959
Energy: 1.5647937011737691
Energy: 1.6233242445821225
Energy: 1.6265698129103536
Energy: 1.651986716171959
Energy: 1.7128590557066063
Energy: 1.6038056908899854
Energy: 1.590119591544821
Energy: 1.5899496434545461
Energy: 1.7128590557066063
Energy: 1.6038056908899854
Energy: 1.590119591544821
Energy: 1.5643507937169894
Energy: 1.6660162671188539
Energy: 1.5749436456044095
Energy: 1.5702007069912483
Energy: 1.5643507937169894
Energy: 1.6660162671188539
Energy: 1.5749436456044095
Energy: 1.589389122439615
Energy: 1.5848305382146628
Energy: 1.6087008393606168
Energy: 1.597074882064091
Energy: 1.589389122439615
Energy: 1.5848305382146628
Energy: 1.6087008393606168
Energy: 1.6574407086997234
Energy: 1.6669701422217422
Energy: 1.5824231808644758
Energy: 1.6710761645744676
Energy: 1.6574407086964364
Energy: 1.6669701422217422
Energy: 1.5824231808644758
Energy: 1.5789245828651726
Energy: 1.6024899741848
Energy: 1.629209573499959
Energy: 1.61085003095642
Energy: 1.5789245828651726
Energy: 1.6024899741848
Energy: 1.629209573499959
Energy: 1.56733638659958
Energy: 1.5614563541470272
Energy: 1.5921745763705775
Energy: 1.6210913700562768
Energy: 1.56733638659958
Energy: 1.5614563541470272
Energy: 1.5921745763705775
Energy: 1.6070199704541681
Energy: 1.5838745160662582
Energy: 1.5859319875511475
Energy: 1.6052738160417348
Energy: 1.6070199704541681
Energy: 1.5838745160662582
Energy: 1.5859319875511475
Energy: 1.5854269185856447
Energy: 1.5616680003668346
Energy: 1.5948807368378513
Energy: 1.5638712420368084
Energy: 1.5854269185856447
Energy: 1.5616680003668346
Energy: 1.5948807368378513
Energy: 1.5647582973016443
Energy: 1.5878510813899158
Energy: 1.6046255613723879
Energy: 1.5882086192278944
Energy: 1.5647582973016443
Energy: 1.5878510813899158
Energy: 1.6046255613723879
Energy: 1.5654698380460284
Energy: 1.5820189238940863
Energy: 1.5842195372404837
Energy: 1.5821918361519542
Energy: 1.5654698380460284
Energy: 1.5820189238940863
Energy: 1.5842195372404837
Energy: 1.5796607067989616
Energy: 1.5728711811232294
Energy: 1.633223673917629
Energy: 1.5719738929672809
Energy: 1.5796607067989616
Energy: 1.5728711811232294
Energy: 1.633223673917629
Energy: 1.631185012044713
Energy: 1.5848350815781316
Energy: 1.6352479113775296
Energy: 1.5894058503600266
Energy: 1.631185012044713
Energy: 1.5848350815781316
Energy: 1.6352479113775296
Energy: 1.5857961187188658
Energy: 1.5945971414002822
Energy: 1.624897475929988
Energy: 1.5909638639257846
Energy: 1.5857961187188658
Energy: 1.5945971414002822
Energy: 1.624897475933275
Energy: 1.5883435966531003
Energy: 1.5908553159369512
Energy: 1.5832916403867232
Energy: 1.6477495669798576
Energy: 1.5883435966531003
Energy: 1.5908553159369512
Energy: 1.5832916403867232
Energy: 1.66325328958292
Energy: 1.5605410095477985
Energy: 1.6183821291195857
Energy: 1.576336398112617
Energy: 1.66325328958292
Energy: 1.5605410095477985
Energy: 1.6276014542126829
Energy: 1.6463386639989332
Energy: 1.6177128542174493
Energy: 1.6226385020430536
Energy: 1.6180550861145786
Energy: 1.6463386639989332
Energy: 1.6177128542174493
Energy: 1.6226385020430536
Energy: 1.6480840241328656
Energy: 1.5955072036515792
Energy: 1.6267470388227185
Energy: 1.560117984423204
Energy: 1.6480840241328656
Energy: 1.5955072036515792
Energy: 1.6267470388227185
Energy: 1.565033527893506
Energy: 1.5704212543263831
Energy: 1.5972329830876515
Energy: 1.6002723536814436
Energy: 1.565033527893506
Energy: 1.5704212543263831
Energy: 1.5972329830942258
Energy: 1.5851146258813886
Energy: 1.6572079986675838
Energy: 1.6621878036673352
Energy: 1.647164118069192
Energy: 1.5851146258813886
Energy: 1.6572079986675838
Energy: 1.6621878036640478
Energy: 1.6305298864245323
Energy: 1.5758326241910572
Energy: 1.5937789358707166
Energy: 1.5750161700578889
Energy: 1.6305298864245323
Energy: 1.5758326241910572
Energy: 1.5937789358707166
Energy: 1.593638616739232
Energy: 1.5778033109404639
Energy: 1.616454451343497
Energy: 1.572383170347006
Energy: 1.593638616739232
Energy: 1.5778033109404639
Energy: 1.616454451343497
Energy: 1.6029713219711674
Energy: 1.5762054257890004
Energy: 1.584261559117988
Energy: 1.5713654818652296
Energy: 1.6029713219711674
Energy: 1.5762054257890004
Energy: 1.584261559117988
Energy: 1.5646457865037497
Energy: 1.5757707594469952
Energy: 1.6361262252857043
Energy: 1.5779167974358421
Energy: 1.5646457865037497
Energy: 1.5757707594469952
Energy: 1.6361262252857043
Energy: 1.5854128001541983
Energy: 1.5984728984546774
Energy: 1.5845662837708527
Energy: 1.5919475156928173
Energy: 1.5854128001541983
Energy: 1.5984728984546774
Energy: 1.5845662837708527
Energy: 1.5478958345577534
Energy: 1.6057716848212003
Energy: 1.6016882224710782
Energy: 1.581533835121007
Energy: 1.5478958345577534
Energy: 1.6057716848212003
Energy: 1.6016882224710782
Energy: 1.5710057711877798
Energy: 1.5875909323908775
Energy: 1.695521159989757
Energy: 1.5605605129396969
Energy: 1.5710057711877798
Energy: 1.5875909323908775
Energy: 1.695521159989757
Energy: 1.5744684310723835
Energy: 1.5910641893270157
Energy: 1.599240896835795
Energy: 1.5891555131947006
Energy: 1.5744684310723835
Energy: 1.5910641893270157
Energy: 1.599240896835795
Energy: 1.6327360342978678
Energy: 1.588270144567344
Energy: 1.5826905953069232
Energy: 1.6009107813569181
Energy: 1.6327360342978678
Energy: 1.588270144567344
Energy: 1.5826905953069232
Energy: 1.6613531391127878
Energy: 1.5896606089891367
Energy: 1.5972224579812524
Energy: 1.65806296047518
Energy: 1.6613531391127878
Energy: 1.5896606089891367
Energy: 1.5972224579812524
Energy: 1.632855781521046
Energy: 1.5704588429990716
Energy: 1.574670758348295
Energy: 1.5976622146282724
Energy: 1.632855781521046
Energy: 1.5704588429990716
Energy: 1.574670758348295
Energy: 1.7128072379880983
Energy: 1.6155718005378885
Energy: 1.6197435428346076
Energy: 1.6354730891485576
Energy: 1.7128072379880983
Energy: 1.6155718005378885
Energy: 1.6197435428346076
Energy: 1.6563449524667793
Energy: 1.5913290200272376
Energy: 1.6524114851643887
Energy: 1.5704626661525642
Energy: 1.6563449524634921
Energy: 1.5913290200272376
Energy: 1.6524114851643887
Energy: 1.5478306295525552
Energy: 1.6011011592994047
Energy: 1.7219398191995396
Energy: 1.6004381106907142
Energy: 1.5478306295525552
Energy: 1.6011011592994047
Energy: 1.7219398191995396
Energy: 1.585123090594895
Energy: 1.660244427919728
Energy: 1.676498067044637
Energy: 1.6424866108223144
Energy: 1.585123090594895
Energy: 1.660244427919728
Energy: 1.676498067044637
Energy: 1.5476315758239556
Energy: 1.58871994657733
Energy: 1.6131596288106742
Energy: 1.5824324890390258
Energy: 1.5476315758239556
Energy: 1.58871994657733
Energy: 1.6131596288106742

minimum gb energy = 1.5475590337129683 eV
minimum distance =  2.21267543070361 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.71726214415123
Energy: 1.6368271113706623
Energy: 1.686772194539384
Energy: 1.625817177373043
Energy: 1.71726214415123
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6762380982069383
Energy: 1.6121223779239962
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522
Energy: 1.5661972099191008
Energy: 1.602044173963717
Energy: 1.6414489187985246
Energy: 1.6007534186432166
Energy: 1.5661972099191008
Energy: 1.602044173963717
Energy: 1.6414489187985246
Energy: 1.6056391994378425
Energy: 1.6254752892510844
Energy: 1.6398915190085688
Energy: 1.5885442600071862
Energy: 1.6056391994378425
Energy: 1.6254752892510844
Energy: 1.6398915190085688
Energy: 1.6059590586444017
Energy: 1.5998619609351383
Energy: 1.6694229397888718
Energy: 1.5891397700314063
Energy: 1.6059590586444017
Energy: 1.5998619609351383
Energy: 1.6694229397888718
Energy: 1.5653276987464875
Energy: 1.5942104388535137
Energy: 1.6280735081222537
Energy: 1.6055625525755606
Energy: 1.5653276987464875
Energy: 1.5942104388535137
Energy: 1.613456075430341
Energy: 1.5943644804224655
Energy: 1.6306290135792039
Energy: 1.638482061185529
Energy: 1.5940990810762694
Energy: 1.5943644804224655
Energy: 1.6306290135792039
Energy: 1.5978327454042491
Energy: 1.5920312248760904
Energy: 1.5776794706804993
Energy: 1.690733954764514
Energy: 1.6197829599192926
Energy: 1.5920312248760904
Energy: 1.5776794706804993
Energy: 1.690733954764514
Energy: 1.5656140768928362
Energy: 1.5895938722753378
Energy: 1.6961543595939772
Energy: 1.599583281834034
Energy: 1.5656140768928362
Energy: 1.5895938722753378
Energy: 1.652569541201748
Energy: 1.6059075980306454
Energy: 1.6433450477337204
Energy: 1.6685185929815858
Energy: 1.589514585238685
Energy: 1.6059075980306454
Energy: 1.6433450477337204
Energy: 1.6393910122319155
Energy: 1.6056964096212565
Energy: 1.667470612388603
Energy: 1.7098805842022349
Energy: 1.5913776688721208
Energy: 1.6056964096212565
Energy: 1.667470612388603
Energy: 1.7098805842022349
Energy: 1.5660352734855096
Energy: 1.6050164989811058
Energy: 1.781567429789275
Energy: 1.6186671529808478
Energy: 1.5660352734855096
Energy: 1.6050164989811058
Energy: 1.7987777576895014
Energy: 1.6002433951126644
Energy: 1.5885959535120295
Energy: 1.79868656296502
Energy: 1.6138864377594115
Energy: 1.6002433951126644
Energy: 1.5885959535120295
Energy: 1.773486776829383
Energy: 1.611747491682093
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.625817177373043
Energy: 1.611747491682093
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522
Energy: 1.6133320993857843
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522
Energy: 1.5661972099191008
Energy: 1.602044173963717
Energy: 1.6687433011104462
Energy: 1.6007534186432166
Energy: 1.5661972099191008
Energy: 1.602044173963717
Energy: 1.6414489187985246
Energy: 1.6056391994378425
Energy: 1.624924854733084
Energy: 1.6793507410912687
Energy: 1.5885442600071862
Energy: 1.6056391994378425
Energy: 1.624924854733084
Energy: 1.6398915190085688
Energy: 1.6059590586444017
Energy: 1.6101796930498267
Energy: 1.6694229397888718
Energy: 1.5891397700314063
Energy: 1.6059590586444017
Energy: 1.6101796930498267
Energy: 1.6694229397888718
Energy: 1.565334431696755
Energy: 1.5942104388535137
Energy: 1.6357772786628861
Energy: 1.6055625525755606
Energy: 1.565334431696755
Energy: 1.5942104388535137
Energy: 1.6357772786628861
Energy: 1.5936141012862635
Energy: 1.6306290135792039
Energy: 1.624857318774374
Energy: 1.5940990810762694
Energy: 1.5936141012862635
Energy: 1.6306290135792039
Energy: 1.624857318774374
Energy: 1.5979947625216733
Energy: 1.5776794706804993
Energy: 1.7006692294082466
Energy: 1.6176428249524644
Energy: 1.5979947625216733
Energy: 1.5776794706804993
Energy: 1.7006692294045151
Energy: 1.5656140768928362
Energy: 1.5895938722753378
Energy: 1.6852229836521084
Energy: 1.599583281834034
Energy: 1.5656140768928362
Energy: 1.5895938722753378
Energy: 1.6852229836521084
Energy: 1.6059075980306454
Energy: 1.6433450477337204
Energy: 1.686975111505646
Energy: 1.5895145852424162
Energy: 1.6059075980306454
Energy: 1.6433450477337204
Energy: 1.6779191646654343
Energy: 1.6056964096212565
Energy: 1.6425659238771204
Energy: 1.7098805842022349
Energy: 1.5913776688721208
Energy: 1.6056964096212565
Energy: 1.6425659238771204
Energy: 1.7098805842022349
Energy: 1.5658770281939625
Energy: 1.6050164989811058
Energy: 1.7845560210967473
Energy: 1.6186671529808478
Energy: 1.5658770281939625
Energy: 1.6050164989811058
Energy: 1.7845560210967473
Energy: 1.5754614870258254
Energy: 1.5885959535120295
Energy: 1.773486776829383
Energy: 1.6138864377594115
Energy: 1.5754614870258254
Energy: 1.5885959535120295
Energy: 1.773486776829383
Energy: 1.71726214415123
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.625817177373043
Energy: 1.71726214415123
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522
Energy: 1.6121223779239962
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522
Energy: 1.5661972099191008
Energy: 1.602044173963717
Energy: 1.6414489187985246
Energy: 1.6007534186432166
Energy: 1.5661972099191008
Energy: 1.602044173963717
Energy: 1.6414489187985246
Energy: 1.6056391994378425
Energy: 1.6254752892510844
Energy: 1.6398915190085688
Energy: 1.5885442600071862
Energy: 1.6056391994378425
Energy: 1.6254752892510844
Energy: 1.6398915190085688
Energy: 1.605959058648133
Energy: 1.5998619609351383
Energy: 1.6694229397888718
Energy: 1.5891397700314063
Energy: 1.6059590586444017
Energy: 1.5998619609351383
Energy: 1.6694229397888718
Energy: 1.5653276987464875
Energy: 1.5942104388535137
Energy: 1.6188110455498874
Energy: 1.6055625525755606
Energy: 1.5653276987464875
Energy: 1.5942104388535137
Energy: 1.595021456621525
Energy: 1.5943644804224655
Energy: 1.6306290135792039
Energy: 1.638482061185529
Energy: 1.5940990810762694
Energy: 1.5943644804224655
Energy: 1.6306290135792039
Energy: 1.638482061185529
Energy: 1.5920312248760904
Energy: 1.5776794706804993
Energy: 1.7006692294045151
Energy: 1.6197829599192926
Energy: 1.5920312248760904
Energy: 1.5776794706804993
Energy: 1.7006692294045151
Energy: 1.5656140768928362
Energy: 1.5895938722753378
Energy: 1.652569541201748
Energy: 1.599583281834034
Energy: 1.5656140768928362
Energy: 1.5895938722753378
Energy: 1.652569541201748
Energy: 1.6059075980306454
Energy: 1.6433450477337204
Energy: 1.6393910122319155
Energy: 1.589514585238685
Energy: 1.6059075980306454
Energy: 1.6433450477337204
Energy: 1.6393910122319155
Energy: 1.6056964096212565
Energy: 1.667470612388603
Energy: 1.7098805842022349
Energy: 1.5913776688721208
Energy: 1.6056964096212565
Energy: 1.667470612388603
Energy: 1.7098805842022349
Energy: 1.5660352734855096
Energy: 1.6050164989811058
Energy: 1.7845560210967473
Energy: 1.6186671529808478
Energy: 1.5660352734855096
Energy: 1.6050164989811058
Energy: 1.7845560210967473
Energy: 1.6002433951126644
Energy: 1.5885959535120295
Energy: 1.773486776829383
Energy: 1.6138864377594115
Energy: 1.6002433951126644
Energy: 1.5885959535120295
Energy: 1.773486776829383
Energy: 1.611747491682093
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.625817177373043
Energy: 1.611747491682093
Energy: 1.6368271113706623
Energy: 1.6239000078657186
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522
Energy: 1.6133320993857843
Energy: 1.5706310784322557
Energy: 1.5944562458288507
Energy: 1.6387569610757522

minimum gb energy = 1.5653276987464875 eV
minimum distance =  2.21261831663841 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.681992946433543
Energy: 1.6161878494355517
Energy: 1.743556042473338
Energy: 1.669833747401293
Energy: 1.6819929464339738
Energy: 1.6161878494359827
Energy: 1.698288083385687
Energy: 1.7125295853707792
Energy: 1.7137148616447013
Energy: 1.6863830635502541
Energy: 1.6632238486015374
Energy: 1.7125295853707792
Energy: 1.7137148616447013
Energy: 1.6863830635502541
Energy: 1.635854742041183
Energy: 1.5909634842733642
Energy: 1.7406164953038967
Energy: 1.6732453904655435
Energy: 1.635854742041183
Energy: 1.5909634842733642
Energy: 1.7390807966147135
Energy: 1.6262549512206346
Energy: 1.6109820830182997
Energy: 1.7435139716129007
Energy: 1.6126463102401813
Energy: 1.6262549512206346
Energy: 1.6109820830182997
Energy: 1.7435139716129007
Energy: 1.6585473006561455
Energy: 1.6318425544732185
Energy: 1.7238274324478255
Energy: 1.647109639543635
Energy: 1.6585473006565765
Energy: 1.6318425544727875
Energy: 1.7007627641119887
Energy: 1.61096070603013
Energy: 1.631597370024691
Energy: 1.6694626842202973
Energy: 1.6455139495223614
Energy: 1.6109607060296993
Energy: 1.631597370024691
Energy: 1.6694626842202973
Energy: 1.6099200332579393
Energy: 1.642966119250267
Energy: 1.6673951254466286
Energy: 1.644247914992154
Energy: 1.6099200332579393
Energy: 1.642966119250267
Energy: 1.6673951254466286
Energy: 1.6631097482871733
Energy: 1.6284873639419601
Energy: 1.7220681320897144
Energy: 1.6424609192430129
Energy: 1.6631097482876043
Energy: 1.6284873639423911
Energy: 1.7220681320897144
Energy: 1.6439079628192579
Energy: 1.6400053087657398
Energy: 1.7319115521979818
Energy: 1.6201978287831609
Energy: 1.6439079628192579
Energy: 1.6400053087657398
Energy: 1.7728612478035215
Energy: 1.6163448911076073
Energy: 1.6432648012196498
Energy: 1.6976522768878448
Energy: 1.6246640461311632
Energy: 1.6163448911076073
Energy: 1.6432648012200808
Energy: 1.6976522768878448
Energy: 1.688676250033393
Energy: 1.6319387436091362
Energy: 1.6698845949263905
Energy: 1.613015340102202
Energy: 1.688676250033393
Energy: 1.6319387436091362
Energy: 1.6698845949263905
Energy: 1.6848325115199734
Energy: 1.6555340591236185
Energy: 1.6782536443263616
Energy: 1.7003778377646024
Energy: 1.6848325115199734
Energy: 1.655534059124049
Energy: 1.6782536443254998
Energy: 1.6862832439731774
Energy: 1.708603134351321
Energy: 1.710253218686244
Energy: 1.6454583067804769
Energy: 1.6862832439731774
Energy: 1.7086031343508903
Energy: 1.710253218686244
Energy: 1.6605462567046652
Energy: 1.6633590846762194
Energy: 1.6668872964496457
Energy: 1.6548997636906195
Energy: 1.6605462567046652
Energy: 1.6633590846766502
Energy: 1.6668872964496457
Energy: 1.690296163181523
Energy: 1.6250741684995285
Energy: 1.7062710581167395
Energy: 1.6384031171896365
Energy: 1.690296163181523
Energy: 1.6250741684995285
Energy: 1.7062710581163085
Energy: 1.678943417887395
Energy: 1.6606255104422116
Energy: 1.6873173473790442
Energy: 1.655477404639169
Energy: 1.678943417887395
Energy: 1.6606255104422116
Energy: 1.6873173473790442
Energy: 1.688758378100163
Energy: 1.6636316081184597
Energy: 1.6701874732441144
Energy: 1.7144220702399267
Energy: 1.6887583780997322
Energy: 1.6636316081184597
Energy: 1.6701874732441144
Energy: 1.6288332025279444
Energy: 1.6444900095003607
Energy: 1.6479573039361146
Energy: 1.6420881449358171
Energy: 1.6288332025279444
Energy: 1.6444900095007917
Energy: 1.6479573039356838
Energy: 1.6102311774437947
Energy: 1.620294935639604
Energy: 1.6279539169556483
Energy: 1.6274252557962494
Energy: 1.6102311774437947
Energy: 1.620294935639604
Energy: 1.627953916956079
Energy: 1.6117320624488805
Energy: 1.6207403776171665
Energy: 1.7039878942180469
Energy: 1.6331760654878091
Energy: 1.6117320624484497
Energy: 1.6207403776175973
Energy: 1.7039878942180469
Energy: 1.6203092482031003
Energy: 1.645174467923922
Energy: 1.6860194034523965
Energy: 1.6240212735942605
Energy: 1.6203092482031003
Energy: 1.645174467923922
Energy: 1.6860194034523965
Energy: 1.6105030896656978
Energy: 1.635341002005039
Energy: 1.6684674433527786
Energy: 1.5968164539152765
Energy: 1.6105030896656978
Energy: 1.635341002005039
Energy: 1.6684674433527786
Energy: 1.6581700995210633
Energy: 1.6329595526524787
Energy: 1.5978829635986649
Energy: 1.646095473099422
Energy: 1.6581700995210633
Energy: 1.6329595526524787
Energy: 1.5978829635986649
Energy: 1.62650886447673
Energy: 1.685967986117671
Energy: 1.7326183562318362
Energy: 1.6226941237813617
Energy: 1.6265088644771608
Energy: 1.685967986117671
Energy: 1.7326183562318362
Energy: 1.63436275147961
Energy: 1.6379329742036177
Energy: 1.7294046608011877
Energy: 1.6710590601216515
Energy: 1.6343627514791792
Energy: 1.6379329742040487
Energy: 1.7294046608011877
Energy: 1.674990703985045
Energy: 1.6114411349717637
Energy: 1.6689990498689193
Energy: 1.649678441800084
Energy: 1.674990703985045
Energy: 1.611441134971333
Energy: 1.6689990498689193
Energy: 1.6920398219716049
Energy: 1.616302156527837
Energy: 1.721196699559765
Energy: 1.6171692457810227
Energy: 1.6920398219711739
Energy: 1.616302156527837
Energy: 1.721196699559765
Energy: 1.6698438095725023
Energy: 1.6810861007053612
Energy: 1.6557281311503165
Energy: 1.7194811762793392
Energy: 1.6698438095725023
Energy: 1.681086100705792
Energy: 1.6557281311503165
Energy: 1.6128592815935872
Energy: 1.6346588209928323
Energy: 1.73843942327315
Energy: 1.6375741815614204
Energy: 1.6128592815935872
Energy: 1.6346588209924016
Energy: 1.73843942327315
Energy: 1.636155229457541
Energy: 1.6208310188305077
Energy: 1.7007738538382442
Energy: 1.6033500775185159
Energy: 1.636155229457541
Energy: 1.6208310188309387
Energy: 1.7007738538382442
Energy: 1.654138583183649
Energy: 1.632216164668518
Energy: 1.6810721046065638
Energy: 1.6347783889802172
Energy: 1.654138583183649
Energy: 1.632216164668518
Energy: 1.6810721046065638
Energy: 1.6231611755970996
Energy: 1.5963046131913952
Energy: 1.6666924339558689
Energy: 1.6546308688435016
Energy: 1.6231611755970996
Energy: 1.5963046131913952
Energy: 1.6666924339558689
Energy: 1.6099607711659625
Energy: 1.645303369952821
Energy: 1.6923738609103136
Energy: 1.645178700752791
Energy: 1.6099607711659625
Energy: 1.6453033699523905
Energy: 1.6923738609103136
Energy: 1.6116111693227482
Energy: 1.6276317836289544
Energy: 1.7347255813906368
Energy: 1.6200944640450496
Energy: 1.6116111693227482
Energy: 1.6276317836289544
Energy: 1.7347255813906368
Energy: 1.6361844671812422
Energy: 1.6320771165150687
Energy: 1.7710621665313306
Energy: 1.6425604942069687
Energy: 1.6361844671808112
Energy: 1.6320771165154995
Energy: 1.7710621665317614
Energy: 1.6162189766858868
Energy: 1.6433410461806959
Energy: 1.7378183929100621
Energy: 1.624331923749188
Energy: 1.6162189766854558
Energy: 1.6433410461806959
Energy: 1.7378183929100621

minimum gb energy = 1.5909634842733642 eV
minimum distance =  2.23800343908871 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.6209010188787194
Energy: 1.6592832212872726
Energy: 1.741059119018962
Energy: 1.658075433113048
Energy: 1.6209010188787194
Energy: 1.6592832212872726
Energy: 1.7062828797621543
Energy: 1.6031536448456054
Energy: 1.6168940829319183
Energy: 1.5371088629020613
Energy: 1.614511214382239
Energy: 1.6031536448461141
Energy: 1.6168940829319183
Energy: 1.5371088629020613
Energy: 1.621012976137554
Energy: 1.5278524027027185
Energy: 1.654655382925401
Energy: 1.6086214653048676
Energy: 1.621012976137554
Energy: 1.5278524027032272
Energy: 1.654655382925401
Energy: 1.6163367913952504
Energy: 1.6107255267515435
Energy: 1.5367274136060218
Energy: 1.6517002327637114
Energy: 1.616336791395759
Energy: 1.6107255267515435
Energy: 1.5367274136055131
Energy: 1.7100937619259668
Energy: 1.6096862127130374
Energy: 1.5894483829164117
Energy: 1.606955381678468
Energy: 1.7100937619503742
Energy: 1.6096862127135456
Energy: 1.6072015692556472
Energy: 1.6169934708832285
Energy: 1.6119744285725983
Energy: 1.704676827909619
Energy: 1.6521950866728479
Energy: 1.6169934708832285
Energy: 1.6119744285725983
Energy: 1.704676827909619
Energy: 1.77544395095904
Energy: 1.6096462620839656
Energy: 1.6433188360118303
Energy: 1.6091323056205424
Energy: 1.77544395095904
Energy: 1.6096462620839656
Energy: 1.650504740828669
Energy: 1.6037418375947887
Energy: 1.5328224766453873
Energy: 1.7629030300810817
Energy: 1.5328074478316682
Energy: 1.6037418375947887
Energy: 1.5328224766453873
Energy: 1.7629030300810817
Energy: 1.775288084999581
Energy: 1.6090742604374135
Energy: 1.6607589989019207
Energy: 1.609243748139027
Energy: 1.7752880849990724
Energy: 1.6090742604374135
Energy: 1.660758998900904
Energy: 1.6170047292810301
Energy: 1.6521163702511248
Energy: 1.7046497748864065
Energy: 1.6119593332849491
Energy: 1.6170047292810301
Energy: 1.6521163702516335
Energy: 1.7046497748864065
Energy: 1.7101037053740253
Energy: 1.606729831222311
Energy: 1.5869028012113526
Energy: 1.6088352975861855
Energy: 1.710103705305934
Energy: 1.6067298312202773
Energy: 1.5361696234293611
Energy: 1.6166423645224328
Energy: 1.6517191436766114
Energy: 1.5364882403769156
Energy: 1.6105834396881058
Energy: 1.6166423645224328
Energy: 1.6517191436766114
Energy: 1.536488240376407
Energy: 1.6210206584068059
Energy: 1.606911398249277
Energy: 1.6084591342960235
Energy: 1.5278527145529368
Energy: 1.6210206584068059
Energy: 1.606911398249277
Energy: 1.609281359635994
Energy: 1.6031646201140055
Energy: 1.614597855767881
Energy: 1.5366942040580003
Energy: 1.6164616342819824
Energy: 1.6031646201145138
Energy: 1.614597855767881
Energy: 1.5366942040580003
Energy: 1.6209010188787194
Energy: 1.6592832212872726
Energy: 1.6993319028176506
Energy: 1.6580754331135563
Energy: 1.6209010188782107
Energy: 1.6592832212872726
Energy: 1.675595868468509
Energy: 1.6031536448456054
Energy: 1.6168940829319183
Energy: 1.5371088629020613
Energy: 1.614511214382239
Energy: 1.6031536448456054
Energy: 1.6168940829319183
Energy: 1.5371088629020613
Energy: 1.621012976137554
Energy: 1.5278524027032272
Energy: 1.6546553829248924
Energy: 1.6086214653048676
Energy: 1.621012976137554
Energy: 1.5278524027027185
Energy: 1.654655382925401
Energy: 1.6163367913952504
Energy: 1.610725526751035
Energy: 1.5367274136060218
Energy: 1.6517002327637114
Energy: 1.616336791395759
Energy: 1.610725526751035
Energy: 1.5367274136055131
Energy: 1.7100937617927896
Energy: 1.6096862127130374
Energy: 1.6072015692556472
Energy: 1.6069553816769426
Energy: 1.7100937617851621
Energy: 1.6096862127130374
Energy: 1.6072015692556472
Energy: 1.6169934708827196
Energy: 1.6119744285725983
Energy: 1.704676827909619
Energy: 1.6521950866728479
Energy: 1.6169934708832285
Energy: 1.6119744285725983
Energy: 1.704676827909619
Energy: 1.77544395095904
Energy: 1.6096462620839656
Energy: 1.592342803633943
Energy: 1.6091323056205424
Energy: 1.77544395095904
Energy: 1.6096462620839656
Energy: 1.5923428036334344
Energy: 1.6037418375947887
Energy: 1.5328224766453873
Energy: 1.7629030300815904
Energy: 1.5328074478316682
Energy: 1.60374183759428
Energy: 1.5328224766453873
Energy: 1.7629030300815904
Energy: 1.775288084999581
Energy: 1.6090742604369048
Energy: 1.6081174573514894
Energy: 1.609243748139027
Energy: 1.7752880849990724
Energy: 1.6090742604374135
Energy: 1.6081174573514894
Energy: 1.6170047292810301
Energy: 1.6521163702511248
Energy: 1.7046497748869152
Energy: 1.6119593332849491
Energy: 1.6170047292810301
Energy: 1.6521163702511248
Energy: 1.7046497748864065
Energy: 1.7101037055844461
Energy: 1.6067298312218028
Energy: 1.5359489231847336
Energy: 1.6088352975861855
Energy: 1.7101037054573707
Energy: 1.6067298312218028
Energy: 1.5359489231852423
Energy: 1.6166423645224328
Energy: 1.6517191436761027
Energy: 1.5364882403769156
Energy: 1.6105834396886143
Energy: 1.6166423645219246
Energy: 1.6517191436766114
Energy: 1.5364882403769156
Energy: 1.6210206584068059
Energy: 1.606911398249277
Energy: 1.6538306744054296
Energy: 1.5278527145534453
Energy: 1.6210206584068059
Energy: 1.606911398249277
Energy: 1.6538306744054296
Energy: 1.6031646201140055
Energy: 1.614597855767881
Energy: 1.5366942040580003
Energy: 1.6164616342819824
Energy: 1.6031646201145138
Energy: 1.614597855767881
Energy: 1.5366942040580003
Energy: 1.6209010188782107
Energy: 1.6592832212872726
Energy: 1.685227355592778
Energy: 1.658075433113048
Energy: 1.6209010188782107
Energy: 1.6592832212872726
Energy: 1.6852273555922694
Energy: 1.6031536448461141
Energy: 1.6168940829319183
Energy: 1.5371088629020613
Energy: 1.614511214382239
Energy: 1.6031536448456054
Energy: 1.6168940829319183
Energy: 1.5371088629020613

minimum gb energy = 1.5278524027027185 eV
minimum distance =  2.26267945254591 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6856061570742331
Energy: 1.7862782433024549
Energy: 1.6853435248551454
Energy: 1.7861983364554106
Energy: 1.6856061570742331
Energy: 1.7862782433024549
Energy: 1.6853435248551454
Energy: 1.6994089335367382
Energy: 1.615274767024341
Energy: 1.5210532771888678
Energy: 1.6151803009890435
Energy: 1.6994089335367382
Energy: 1.615274767024341
Energy: 1.5210532771888678
Energy: 1.6853789779361228
Energy: 1.59055883789606
Energy: 1.6350747629895195
Energy: 1.6055410816681839
Energy: 1.6853789779355055
Energy: 1.59055883789606
Energy: 1.6350747629895195
Energy: 1.6887906045310146
Energy: 1.6252982431999945
Energy: 1.5722634728161178
Energy: 1.6173544075518564
Energy: 1.6887906045310146
Energy: 1.6252982431999945
Energy: 1.5722634728161178
Energy: 1.6198661829124474
Energy: 1.5521247859186502
Energy: 1.5841652863993245
Energy: 1.551776362588765
Energy: 1.6198661829124474
Energy: 1.5521247859186502
Energy: 1.6156615507112648
Energy: 1.6889238260488568
Energy: 1.5632094863951238
Energy: 1.6586716274575617
Energy: 1.617382979658184
Energy: 1.6889238260482395
Energy: 1.5632094863951238
Energy: 1.6586716274643518
Energy: 1.6844000093687015
Energy: 1.5520322422351343
Energy: 1.6157967348269022
Energy: 1.6382957419282576
Energy: 1.6844000093687015
Energy: 1.5520322422351343
Energy: 1.6539734709105447
Energy: 1.6839184142021064
Energy: 1.613459294365643
Energy: 1.6598268774758147
Energy: 1.617544339393568
Energy: 1.6839184142021064
Energy: 1.613459294365643
Energy: 1.6598268774758147
Energy: 1.684351121604166
Energy: 1.615795476463327
Energy: 1.6349414892932281
Energy: 1.5649095806601891
Energy: 1.684351121604166
Energy: 1.615795476463327
Energy: 1.6349414892932281
Energy: 1.6715882617870081
Energy: 1.633792333957143
Energy: 1.6339185963879213
Energy: 1.617448478288333
Energy: 1.6715882617870081
Energy: 1.633792333957143
Energy: 1.6339185963879213
Energy: 1.6899699046906294
Energy: 1.6325650888685945
Energy: 1.6437833002178073
Energy: 1.6254917208968935
Energy: 1.6899699046906294
Energy: 1.6325650888685945
Energy: 1.6437833002171898
Energy: 1.5380604489732121
Energy: 1.5553623711916083
Energy: 1.606293453084314
Energy: 1.5540255766158253
Energy: 1.5380604489732121
Energy: 1.5553623711916083
Energy: 1.6062934530849315
Energy: 1.6894268935346104
Energy: 1.6267573985596213
Energy: 1.6595317361024788
Energy: 1.618210898261285
Energy: 1.6894268935346104
Energy: 1.6267573985596213
Energy: 1.6442410245089523
Energy: 1.5380631490796013
Energy: 1.553931887272039
Energy: 1.6537734331727116
Energy: 1.5528800511628997
Energy: 1.5380631490796013
Energy: 1.553931887272039
Energy: 1.6537734331727116
Energy: 1.6913411994323138
Energy: 1.5600384365026883
Energy: 1.6092220843337872
Energy: 1.6185279004746458
Energy: 1.6913411994323138
Energy: 1.5600384365026883
Energy: 1.6092220843337872
Energy: 1.538267529101031
Energy: 1.7337963452183984
Energy: 1.6245559586595524
Energy: 1.6260019759795525
Energy: 1.538267529101031
Energy: 1.7337963452183984
Energy: 1.6245559586595524
Energy: 1.6909584310903472
Energy: 1.5569395109486632
Energy: 1.653648422545257
Energy: 1.6183694975131793
Energy: 1.6909584310903472
Energy: 1.556939510948046
Energy: 1.653648422545257
Energy: 1.5381908158710487
Energy: 1.627635370214186
Energy: 1.6245589687779323
Energy: 1.625858925400428
Energy: 1.5381908158710487
Energy: 1.627635370214186
Energy: 1.6245589687779323
Energy: 1.6856224581857941
Energy: 1.5574488220207292
Energy: 1.7098828439704818
Energy: 1.6178770935125861
Energy: 1.6856224581857941
Energy: 1.5574488220207292
Energy: 1.7098828439704818
Energy: 1.5381265068781902
Energy: 1.7036952636766147
Energy: 1.6161037520473884
Energy: 1.703597357157247
Energy: 1.5381265068781902
Energy: 1.7036952636766147
Energy: 1.6161037520473884
Energy: 1.6858168604783277
Energy: 1.6178166741061126
Energy: 1.7098237758672508
Energy: 1.5576731808881432
Energy: 1.6858168604783277
Energy: 1.6178166741061126
Energy: 1.7098237758672508
Energy: 1.5381777777520438
Energy: 1.6240664031515106
Energy: 1.6244924914091232
Energy: 1.6277581170187456
Energy: 1.5381777777520438
Energy: 1.6240664031515106
Energy: 1.6244924914091232
Energy: 1.6909917848496585
Energy: 1.6185563668194274
Energy: 1.6537992366228234
Energy: 1.5573635005816027
Energy: 1.6909917848496585
Energy: 1.6185563668194274
Energy: 1.6537992366228234
Energy: 1.538280211203514
Energy: 1.625897599296228
Energy: 1.6248646375087092
Energy: 1.7329546890970553
Energy: 1.538280211203514
Energy: 1.6258975992949933
Energy: 1.6248646375093265
Energy: 1.6914517755641292
Energy: 1.6185543243638318
Energy: 1.5696123657533811
Energy: 1.5599207717606454
Energy: 1.6914517755641292
Energy: 1.6185543243638318
Energy: 1.5981102745519287

minimum gb energy = 1.5210532771888678 eV
minimum distance =  2.26437348323404 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.5923353136937985
Energy: 1.7414670605898557
Energy: 1.58074349996584
Energy: 1.6485752031284553
Energy: 1.5923353136937985
Energy: 1.7414670605898557
Energy: 1.6289577252384255
Energy: 1.7012679700342908
Energy: 1.6667044505217625
Energy: 1.5248605992203794
Energy: 1.667564963898567
Energy: 1.7012679700342908
Energy: 1.6667044505217625
Energy: 1.5248605992203794
Energy: 1.5927461642631937
Energy: 1.6599474600664978
Energy: 1.6342900368134456
Energy: 1.6212095863168734
Energy: 1.5927461642631937
Energy: 1.6599474600664978
Energy: 1.6342900368134456
Energy: 1.5442906194392296
Energy: 1.6648671459443278
Energy: 1.5307408176329647
Energy: 1.6651979786970525
Energy: 1.5442906194392296
Energy: 1.6648671459443278
Energy: 1.5307408176329647
Energy: 1.648655185086807
Energy: 1.520854862467277
Energy: 1.6688834160257255
Energy: 1.5515180716878718
Energy: 1.648655185090252
Energy: 1.520854862467277
Energy: 1.6688834160257255
Energy: 1.4995687106392113
Energy: 1.5804534927670497
Energy: 1.6523240664108922
Energy: 1.579535493891279
Energy: 1.4995687106392113
Energy: 1.5804534927670497
Energy: 1.6523240664108922
Energy: 1.5420420269063178
Energy: 1.5205249153569964
Energy: 1.6141817844964585
Energy: 1.5661891149091003
Energy: 1.5420420269063178
Energy: 1.5205249153569964
Energy: 1.6615386441672946
Energy: 1.5423858544094173
Energy: 1.54820466695115
Energy: 1.575225371709806
Energy: 1.5219741176537642
Energy: 1.5423858544094173
Energy: 1.54820466695115
Energy: 1.575225371709806
Energy: 1.5422472131203335
Energy: 1.5456891156962467
Energy: 1.6731524361381682
Energy: 1.5302311637769759
Energy: 1.5422472131203335
Energy: 1.5456891156962467
Energy: 1.6731524361381682
Energy: 1.5228111535000406
Energy: 1.5474490018546774
Energy: 1.570568816795308
Energy: 1.551733846805072
Energy: 1.5228111535000406
Energy: 1.5474490018546774
Energy: 1.570568816795308
Energy: 1.5417203277629685
Energy: 1.539732002553349
Energy: 1.690348057063375
Energy: 1.5255837631683795
Energy: 1.5417203277629685
Energy: 1.539732002553349
Energy: 1.7440064696841306
Energy: 1.5231153098455792
Energy: 1.5181860219576313
Energy: 1.628380822028674
Energy: 1.5810762440548933
Energy: 1.5231153098455792
Energy: 1.5181860219576313
Energy: 1.628380822028674
Energy: 1.5433730607527356
Energy: 1.5938203844869339
Energy: 1.740882325303605
Energy: 1.5189173722728067
Energy: 1.5433730607527356
Energy: 1.5938203844869339
Energy: 1.740882325303605
Energy: 1.5810842611910438
Energy: 1.6220238669037348
Energy: 1.627170377524708
Energy: 1.6504906454171155
Energy: 1.5810842611910438
Energy: 1.6220238669037348
Energy: 1.627170377521263
Energy: 1.543309737532651
Energy: 1.607021395138921
Energy: 1.6505094438995669
Energy: 1.6374444625329194
Energy: 1.543309737532651
Energy: 1.607021395138921
Energy: 1.6505094438995669
Energy: 1.5787106020805919
Energy: 1.5181845616490393
Energy: 1.6702887715121528
Energy: 1.5809846492713486
Energy: 1.5787106020805919
Energy: 1.5181845616490393
Energy: 1.6702887715121528
Energy: 1.584565922083313
Energy: 1.5939400809211097
Energy: 1.6898863201162193
Energy: 1.5186373434988976
Energy: 1.584565922083313
Energy: 1.5939400809211097
Energy: 1.6898863201162193
Energy: 1.5192696764376963
Energy: 1.517458835816875
Energy: 1.686490216087857
Energy: 1.5716487933517453
Energy: 1.5192696764376963
Energy: 1.517458835816875
Energy: 1.686490216087857
Energy: 1.5849216945897207
Energy: 1.5373911405355312
Energy: 1.7438735270706127
Energy: 1.5415130728804416
Energy: 1.5849216945897207
Energy: 1.5373911405355312
Energy: 1.7438735270671677
Energy: 1.499626107156896
Energy: 1.542929763711855
Energy: 1.6228238311599887
Energy: 1.514176344406897
Energy: 1.499626107156896
Energy: 1.542929763711855
Energy: 1.6228238311599887
Energy: 1.5813668646062122
Energy: 1.5670967223095824
Energy: 1.5695435856613567
Energy: 1.5981524440501838
Energy: 1.5813668646062122
Energy: 1.5670967223095824
Energy: 1.5695435856613567
Energy: 1.524487607486571
Energy: 1.5494889695565814
Energy: 1.6248627302061487
Energy: 1.5395982204105776
Energy: 1.524487607486571
Energy: 1.5494889695565814
Energy: 1.6248627302061487
Energy: 1.5843070743479062
Energy: 1.5695580486164717
Energy: 1.5916596224798858
Energy: 1.677809992165089
Energy: 1.5843070743479062
Energy: 1.5695580486164717
Energy: 1.6226868635711902
Energy: 1.5408688235609498
Energy: 1.5558494479009655
Energy: 1.6785858529955975
Energy: 1.5397016968666375
Energy: 1.5408688235609498
Energy: 1.5558494479009655
Energy: 1.6785858529955975
Energy: 1.5826791290431546
Energy: 1.652469799643913
Energy: 1.6345234024910047
Energy: 1.7482336723870289
Energy: 1.5826791290431546
Energy: 1.652469799643913
Energy: 1.6345234024910047
Energy: 1.5653953131678016
Energy: 1.6004853470503047
Energy: 1.7918565108772821
Energy: 1.5432374170799672
Energy: 1.5653953131678016
Energy: 1.6004853470503047
Energy: 1.7918565108772821
Energy: 1.7622732750325423
Energy: 1.646484947308177
Energy: 1.6278964892687233
Energy: 1.74850481829741
Energy: 1.7622732750325423
Energy: 1.646484947308177
Energy: 1.6278964892687233
Energy: 1.5878244757002615
Energy: 1.636511084278064
Energy: 1.7901752462221152
Energy: 1.6513966612953364
Energy: 1.5878244757002615
Energy: 1.636511084278064
Energy: 1.7901752462221152
Energy: 1.7619271716938552
Energy: 1.6463410157134455
Energy: 1.5691987218761467
Energy: 1.7485044334683022
Energy: 1.7619271716938552
Energy: 1.6463410157134455
Energy: 1.5691987218761467
Energy: 1.5884633382684952
Energy: 1.651281178985789
Energy: 1.7591286699939919
Energy: 1.5443033672031057
Energy: 1.5884633382684952
Energy: 1.651281178985789
Energy: 1.7591286699939919
Energy: 1.5599505185927536
Energy: 1.6461688027721655
Energy: 1.6095354579103465
Energy: 1.7490399882503358
Energy: 1.5599505185927536
Energy: 1.6461688027721655
Energy: 1.6095354579103465
Energy: 1.588698710023014
Energy: 1.5707513757369576
Energy: 1.6804113696500427
Energy: 1.51329795474023
Energy: 1.588698710023014
Energy: 1.5707513757369576
Energy: 1.6804113696500427
Energy: 1.5600256382653626
Energy: 1.5656139003535976
Energy: 1.7070700838402577
Energy: 1.6330909066332924
Energy: 1.5600256382653626
Energy: 1.5656139003535976
Energy: 1.7070700838402577
Energy: 1.577884689319396
Energy: 1.523396802516242
Energy: 1.6580826572247838
Energy: 1.5899138352181512
Energy: 1.577884689319396
Energy: 1.523396802516242
Energy: 1.6580826572247838
Energy: 1.6095990678333143
Energy: 1.5621285871309392
Energy: 1.6927167213837162
Energy: 1.6311180338073383
Energy: 1.6095990678333143
Energy: 1.5621285871309392
Energy: 1.6927167213837162
Energy: 1.5780343711643312
Energy: 1.5740192482434785
Energy: 1.6923076583492576
Energy: 1.5654371736772568
Energy: 1.5780343711643312
Energy: 1.5740192482434785
Energy: 1.6923076583492576
Energy: 1.6095212618981993
Energy: 1.5391627452108048
Energy: 1.6215988194004258
Energy: 1.6232315735201965
Energy: 1.6095212618981993
Energy: 1.5391627452108048
Energy: 1.6215988194004258
Energy: 1.6051802504854442
Energy: 1.5717738603573468
Energy: 1.6747636386612361
Energy: 1.5727279893798753
Energy: 1.6051802504854442
Energy: 1.5717738603573468
Energy: 1.6747636386612361
Energy: 1.6094340268354164
Energy: 1.6317808963239488
Energy: 1.6661036129496736
Energy: 1.6303337176212742
Energy: 1.6094340268388616
Energy: 1.6317808963239488
Energy: 1.6661036129496736
Energy: 1.6055807402002875
Energy: 1.6384756437035677
Energy: 1.6733273907927593
Energy: 1.5847882025829676
Energy: 1.6055807402002875
Energy: 1.6384756437035677
Energy: 1.6733273907927593
Energy: 1.666835063278077
Energy: 1.6236515726379608
Energy: 1.593196081832674
Energy: 1.6305984979061228
Energy: 1.666835063278077
Energy: 1.6236515726379608
Energy: 1.593196081832674
Energy: 1.605578000332702
Energy: 1.5960923803084612
Energy: 1.7311530339353585
Energy: 1.6408851146635912
Energy: 1.605578000332702
Energy: 1.5960923803084612
Energy: 1.7311530339353585
Energy: 1.5794493175267068
Energy: 1.6232876603423976
Energy: 1.5715621463641314
Energy: 1.6302943405413544
Energy: 1.5794493175267068
Energy: 1.6232876603423976
Energy: 1.5715621463641314
Energy: 1.6046975672085513
Energy: 1.5720206513075974
Energy: 1.8240917871914757
Energy: 1.5251881457530603
Energy: 1.6046975672085513
Energy: 1.5720206513110426
Energy: 1.8240917871914757
Energy: 1.537844180926164
Energy: 1.6064279969052342
Energy: 1.5715006281684307
Energy: 1.6538251303791118
Energy: 1.537844180926164
Energy: 1.6064279969052342
Energy: 1.5715006281684307

minimum gb energy = 1.4995687106392113 eV
minimum distance =  2.24522400610101 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.5315109779142775
Energy: 1.3442287074870949
Energy: 1.5458637871441616
Energy: 1.3442287074878714
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.6043238144105547
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.569733255101007
Energy: 1.3442287074878714
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.5425429121461571
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.1833785690629104
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.6182517819558115
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114786791
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.200566312475065
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5425429121461571
Energy: 1.5315109779135008
Energy: 1.3442287074870949
Energy: 1.6835163110355913
Energy: 1.3442287074870949
Energy: 1.5315109779142775
Energy: 1.3442287074870949
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.9363601163744868
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074870949
Energy: 1.5425429121461571
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5450978693903088
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.7947409813115165
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5425429121461571
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5518264163868738
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.2005663125348376
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5362734412350811
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.6094926782307417
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.6569721473576335
Energy: 1.3442287074878714
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.499447891438731
Energy: 1.3442287074870949
Energy: 1.5315109779135008
Energy: 1.3442287074870949
Energy: 1.439097114787568
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.6614060556028856
Energy: 1.3442287074878714
Energy: 1.5315109779142775
Energy: 1.3442287074878714
Energy: 1.6094926782307417
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.6514456839889493
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5425429121461571
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.439097114787568
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5724394049999246
Energy: 1.3442287074878714
Energy: 1.5315109779135008
Energy: 1.3442287074878714
Energy: 1.5425429121461571

minimum gb energy = 1.1833785690629104 eV
minimum distance =  2.21696275395985 Angstroms
sigma value = 23