Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.859877958893776
cohesive_energy=4.349013510620066
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013429595963005725
Energy: 0.013770893028079833
Energy: 0.44004817631715837
Energy: 0.013770893028580915
Energy: 0.013429595963005725
Energy: 0.013770893028079833
Energy: 0.013770893028079833
Energy: 2.8382215241325977
Energy: 0.013770893028079833
Energy: 2.838221524133099
Energy: 0.013770893028079833
Energy: 2.8382215241325977
Energy: 0.4400481763166573
Energy: 0.013770893028079833
Energy: 0.013429595963005725
Energy: 0.013770893028079833
Energy: 0.44004817631715837
Energy: 0.013770893028079833
Energy: 0.013770893028079833
Energy: 2.838221524133099
Energy: 0.013770893028079833
Energy: 2.8382215241325977
Energy: 0.013770893028580915
Energy: 2.8382215241325977
Energy: 0.013429595963005725
Energy: 0.013770893028079833
Energy: 0.4400481763166573
Energy: 0.013770893028079833
Energy: 0.013429595963005725
Energy: 0.013770893028079833
Energy: 0.013770893028079833
Energy: 2.8382215241325977
Energy: 0.013770893028079833
Energy: 2.838221524133099
Energy: 0.013770893028079833
Energy: 2.838221524133099

minimum gb energy = 0.013429595963005725 eV
minimum distance =  2.45040401317635 Angstroms
sigma value = 1


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

Energy: 1.6230124833454687
Energy: 1.5353236850293168
Energy: 1.2824184707874735
Energy: 1.535323685030523
Energy: 1.6230124833454687
Energy: 1.5353236850317293
Energy: 1.4676516864347073
Energy: 1.4541152567545128
Energy: 1.615369602255294
Energy: 1.4541152567545128
Energy: 1.4676516864347073
Energy: 1.4541152567545128
Energy: 1.2881137018026878
Energy: 1.4624463833659482
Energy: 1.618029697819458
Energy: 1.4624463833659482
Energy: 1.2881137018038937
Energy: 1.4624463833659482
Energy: 1.678601775436367
Energy: 1.4564667477006612
Energy: 1.2327809525362738
Energy: 1.4564667477006612
Energy: 1.6786017754351608
Energy: 1.4564667477006612
Energy: 1.4260146936138947
Energy: 1.5418878249125294
Energy: 1.630585815254041
Energy: 1.5418878249113233
Energy: 1.4260146936151008
Energy: 1.5418878249113233
Energy: 1.6075448738418423
Energy: 1.4537174073995307
Energy: 1.32131786397289
Energy: 1.4537174073983246
Energy: 1.6075448738430482
Energy: 1.4537174073983246
Energy: 1.416325750164961
Energy: 1.4648453059866138
Energy: 1.3115296278355615
Energy: 1.4648453059866138
Energy: 1.416325750164961
Energy: 1.4648453059854076
Energy: 1.4478741390086423
Energy: 1.465761301332879
Energy: 1.6129787439725587
Energy: 1.4657613013340305
Energy: 1.447874139007436
Energy: 1.465761301332879
Energy: 1.4141680480477308
Energy: 1.4020836675858197
Energy: 1.3450564811527534
Energy: 1.4020836675870259
Energy: 1.4141680480465246
Energy: 1.4020836675870259
Energy: 1.6199769991633333
Energy: 1.4427108324606146
Energy: 1.3444257868033318
Energy: 1.4427108324606146
Energy: 1.6199769991633333
Energy: 1.4427108324594087
Energy: 1.467835485915378
Energy: 1.4146101468918664
Energy: 1.4584664639781288
Energy: 1.414610146903928
Energy: 1.467835485915378
Energy: 1.4146101468822172
Energy: 1.31845239114312
Energy: 1.5216522923294729
Energy: 1.3102684421732183
Energy: 1.5216522923294729
Energy: 1.31845239114312
Energy: 1.5216522923294729
Energy: 1.585278635619021
Energy: 1.4448160230852103
Energy: 1.4557445722233464
Energy: 1.4448160230852103
Energy: 1.585278635619021
Energy: 1.4448160230852103
Energy: 1.311739021593808
Energy: 1.4435914243903651
Energy: 1.6200371749258522
Energy: 1.4435914243903651
Energy: 1.311739021592602
Energy: 1.443591424389159
Energy: 1.3517056421057094
Energy: 1.3786900040927603
Energy: 1.438064026012887
Energy: 1.3786900040927603
Energy: 1.3517056421069154
Energy: 1.3786900040927603
Energy: 1.4429271305699127
Energy: 1.512679441500701
Energy: 1.5315282826715577
Energy: 1.512679441500701
Energy: 1.442927130584387
Energy: 1.5126794414994946
Energy: 1.2972272384369665
Energy: 1.4650530904362982
Energy: 1.607477752622178
Energy: 1.4650530904362982
Energy: 1.2972272384381727
Energy: 1.4650530904350922
Energy: 1.3093812289793247
Energy: 1.45375995410755
Energy: 1.41647796642219
Energy: 1.4537599541087562
Energy: 1.3093812289793247
Energy: 1.45375995410755
Energy: 1.3972701908514302
Energy: 1.4637405203773048
Energy: 1.4303910004207707
Energy: 1.4637405203760985
Energy: 1.3972701908502239
Energy: 1.4637405203760985
Energy: 1.34509579376212
Energy: 1.4566868373814732
Energy: 1.5663800030842316
Energy: 1.4566868373826791
Energy: 1.3450957937609138
Energy: 1.4566868373802668
Energy: 1.6182283898379086
Energy: 1.471229560244224
Energy: 1.2888573684438838
Energy: 1.471229560244224
Energy: 1.6182283898367025
Energy: 1.4712295602454302
Energy: 1.4282492421585347
Energy: 1.4639390586851535
Energy: 1.4705626150594895
Energy: 1.4639390586851535
Energy: 1.4282492421585347
Energy: 1.4639390586851535
Energy: 1.3522458406231281
Energy: 1.487466217913686
Energy: 1.4520995806893064
Energy: 1.4874662179173046
Energy: 1.3522458406243345
Energy: 1.487466217914892

minimum gb energy = 1.2327809525362738 eV
minimum distance =  2.23121218147796 Angstroms
sigma value = 33


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

Energy: 1.9679603764387645
Energy: 1.6823236058008115
Energy: 1.363251893340484
Energy: 1.6823236058001256
Energy: 1.9679603764394507
Energy: 1.6823236058028699
Energy: 1.4568309001927713
Energy: 1.4921122965368894
Energy: 1.6263934931820396
Energy: 1.4921122965382612
Energy: 1.456830900191399
Energy: 1.4921122965382612
Energy: 1.3351719204369883
Energy: 1.6270717176575282
Energy: 1.5844155537406974
Energy: 1.6270717176561564
Energy: 1.3351719204376742
Energy: 1.6270717176575282
Energy: 1.4285588993495788
Energy: 1.5070775975572295
Energy: 1.7008835478307247
Energy: 1.5070775975565434
Energy: 1.4285588993509508
Energy: 1.5070775975579151
Energy: 1.4193730093284613
Energy: 1.5653090157873542
Energy: 1.558802372727953
Energy: 1.5653090157873542
Energy: 1.419373009325717
Energy: 1.5653090157873542
Energy: 1.68977383937975
Energy: 1.5609558589005328
Energy: 1.3186636670083363
Energy: 1.5609558589005328
Energy: 1.68977383937975
Energy: 1.560955858901219
Energy: 1.7119530302109092
Energy: 1.5609954057480184
Energy: 1.49332211545561
Energy: 1.5609954057466462
Energy: 1.7119530302115953
Energy: 1.5609954057480184
Energy: 1.3171055933629219
Energy: 1.559496266792348
Energy: 1.7593926741203199
Energy: 1.559496266793034
Energy: 1.3171055933629219
Energy: 1.559496266792348
Energy: 1.4523490414582831
Energy: 1.5075546066210332
Energy: 1.5665186561543705
Energy: 1.5075546066210332
Energy: 1.4523490414582831
Energy: 1.5075546066203471
Energy: 1.4487138922911802
Energy: 1.6178189826320368
Energy: 1.4263398117902897
Energy: 1.6178189826334088
Energy: 1.4487138922911802
Energy: 1.6178189826334088
Energy: 1.425461972465491
Energy: 1.487632453739831
Energy: 1.69633845047682
Energy: 1.487632453739831
Energy: 1.425461972464805
Energy: 1.487632453739831
Energy: 1.583110351435599
Energy: 1.6188127832371981
Energy: 1.4199370858070424
Energy: 1.6188127832371981
Energy: 1.583110351435599
Energy: 1.6188127832371981
Energy: 1.6394141591921199
Energy: 1.518448889095381
Energy: 1.3694117764401719
Energy: 1.5184488890967531
Energy: 1.6394141591921199
Energy: 1.5184488890967531
Energy: 1.4972659799815067
Energy: 1.6375479599812963
Energy: 1.9663066011696952
Energy: 1.6375479599819824
Energy: 1.4972659799815067
Energy: 1.6375479599812963
Energy: 1.691805672039933
Energy: 1.5591034684474305
Energy: 1.5633321250845147
Energy: 1.5591034684467446
Energy: 1.6918056720406192
Energy: 1.5591034684474305
Energy: 1.5852839444387723
Energy: 1.5565227958025987
Energy: 1.3936694813649424
Energy: 1.5565227958019128
Energy: 1.5852839444387723
Energy: 1.5565227958019128
Energy: 1.5961337681946797
Energy: 1.605106294769798
Energy: 1.426218086255422
Energy: 1.605106294769798
Energy: 1.5961337681939938
Energy: 1.605106294769798
Energy: 1.615291408441822
Energy: 1.535942031868376
Energy: 1.5630220657452207
Energy: 1.53594203186769
Energy: 1.615291408443194
Energy: 1.535942031868376
Energy: 1.2948039355341603
Energy: 1.5594791123127145
Energy: 1.7596308140272066
Energy: 1.5594791123127145
Energy: 1.2948039355341603
Energy: 1.5594791123127145
Energy: 1.4556224731363003
Energy: 1.5075251661057671
Energy: 1.6368259467191941
Energy: 1.5075251661050808
Energy: 1.4556224731356142
Energy: 1.5075251661050808
Energy: 1.5810388356663425
Energy: 1.6901185571326451
Energy: 1.363942531187388
Energy: 1.6901185571333313
Energy: 1.5810388356663425
Energy: 1.6901185571326451
Energy: 1.4083392464476439
Energy: 1.4864951953801724
Energy: 1.699402112833131
Energy: 1.4864951953794867
Energy: 1.4083392464476439
Energy: 1.4864951953808587
Energy: 1.3991029923943532
Energy: 1.5748940711272696
Energy: 1.559045868743681
Energy: 1.5748940711272696
Energy: 1.3991029923943532
Energy: 1.5748940711279558
Energy: 1.657355512872571
Energy: 1.5258258544323693
Energy: 1.7139236414186867
Energy: 1.5258258544330552
Energy: 1.657355512872571
Energy: 1.5258258544330552
Energy: 1.4819568135156067
Energy: 1.5614218794572412
Energy: 1.58448478101742
Energy: 1.5614218794572412
Energy: 1.4819568135169787
Energy: 1.5614218794579273
Energy: 1.7132841805494177
Energy: 1.6774264247427568
Energy: 1.424807532189824
Energy: 1.6774264247420707
Energy: 1.7132841805473593
Energy: 1.6774264247420707
Energy: 1.7125261871015447
Energy: 1.6044237521337539
Energy: 1.3153017449947153
Energy: 1.6044237521344402
Energy: 1.7125261871029165
Energy: 1.6044237521344402
Energy: 1.4822435155486964
Energy: 1.6400770069292432
Energy: 1.5844191806627679
Energy: 1.6400770069292432
Energy: 1.4822435155480103
Energy: 1.6400770069292432
Energy: 1.6570965738625223
Energy: 1.5257390314363162
Energy: 1.7135784518220967
Energy: 1.52573903143563
Energy: 1.6570965738625223
Energy: 1.52573903143563
Energy: 1.3994174590921393
Energy: 1.560126197941888
Energy: 1.493431361301394
Energy: 1.5601261979425738
Energy: 1.3994174590914532
Energy: 1.560126197941888
Energy: 1.4083617438085403
Energy: 1.4864951953808587
Energy: 1.699491133967145
Energy: 1.4864951953815448
Energy: 1.4083617438078542
Energy: 1.4864951953808587
Energy: 1.580971704199393
Energy: 1.6900991484247743
Energy: 1.3638245399472135
Energy: 1.690099148424088
Energy: 1.580971704199393
Energy: 1.690099148424088
Energy: 1.4553774676254383
Energy: 1.507361756775018
Energy: 1.636581931299629
Energy: 1.507361756775018
Energy: 1.4553774676254383
Energy: 1.507361756773646
Energy: 1.2948188689680595
Energy: 1.5596410618541963
Energy: 1.933389563706754
Energy: 1.5596410618535101
Energy: 1.2948188689680595
Energy: 1.5596410618548824
Energy: 1.6152332717809357
Energy: 1.53556375226135
Energy: 1.6922923517948154
Energy: 1.53556375226135
Energy: 1.6152332717802496
Energy: 1.53556375226135
Energy: 1.596266028752746
Energy: 1.5846322291611623
Energy: 1.4264563954260279
Energy: 1.5846322291611623
Energy: 1.5962660287513737
Energy: 1.5846322291618482
Energy: 1.5846382521461366
Energy: 1.5566890249011727
Energy: 1.347935578234732
Energy: 1.5566890249011727
Energy: 1.5846382521461366
Energy: 1.5566890249011727
Energy: 1.691578436182776
Energy: 1.5589745197286762
Energy: 1.5632997450487915
Energy: 1.5589745197293623
Energy: 1.6915784361820898
Energy: 1.5589745197279898
Energy: 1.4976657447355268
Energy: 1.5610841260890953
Energy: 1.966548486511444
Energy: 1.5610841260932116
Energy: 1.4976657447362127
Energy: 1.5610841260911537
Energy: 1.639277855127399
Energy: 1.5191477736056977
Energy: 1.3695194898693899
Energy: 1.5191477736056977
Energy: 1.639277855127399
Energy: 1.5191477736050114
Energy: 1.5831171599563463
Energy: 1.618464278290181
Energy: 1.3750847065569027
Energy: 1.618464278289495
Energy: 1.5831171599563463
Energy: 1.618464278290181

minimum gb energy = 1.2948039355341603 eV
minimum distance =  2.22918452660864 Angstroms
sigma value = 51


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

Energy: 1.6989441543315285
Energy: 1.7352586061763922
Energy: 1.5072514157622456
Energy: 1.7352586061763922
Energy: 1.6989441543315285
Energy: 1.7352586061763922
Energy: 1.4183919974107608
Energy: 1.634253085690039
Energy: 1.9037521901555792
Energy: 1.6342531075087199
Energy: 1.4183919974107608
Energy: 1.6342531040258377
Energy: 1.3031360751471728
Energy: 1.752677884649577
Energy: 1.6724282096803162
Energy: 1.752677884649577
Energy: 1.3031360751471728
Energy: 1.752677884649577
Energy: 1.3171823729374543
Energy: 1.517921462407725
Energy: 1.876995496678689
Energy: 1.517921462407725
Energy: 1.3171823729374543
Energy: 1.517921462409315
Energy: 1.3160855811219485
Energy: 1.515657369244929
Energy: 1.6723229468465803
Energy: 1.515657369244929
Energy: 1.3160855811219485
Energy: 1.515657369244929
Energy: 1.7860115933884895
Energy: 1.5146805451215366
Energy: 1.828122710660934
Energy: 1.5146805451231262
Energy: 1.7860115933884895
Energy: 1.5146805451215366
Energy: 1.7873711506406853
Energy: 1.5171991064005086
Energy: 1.837107660419736
Energy: 1.5171991064005086
Energy: 1.7873711506406853
Energy: 1.517199106402098
Energy: 1.3171057417683192
Energy: 1.516381772691005
Energy: 1.3402443689245156
Energy: 1.516381772691005
Energy: 1.3171057417683192
Energy: 1.516381772691005
Energy: 1.8671309534974743
Energy: 1.5228146379275207
Energy: 1.3141918730496647
Energy: 1.5228146379275207
Energy: 1.8671309534974743
Energy: 1.5228146379275207
Energy: 1.3026213959327746
Energy: 1.7585603904464049
Energy: 1.3403184601457072
Energy: 1.7585603904464049
Energy: 1.302621395931185
Energy: 1.7585603904448155
Energy: 1.8177778103084785
Energy: 1.515571362410499
Energy: 1.8679265567793546
Energy: 1.515571362410499
Energy: 1.8177778103084785
Energy: 1.515571362410499
Energy: 1.6989136511851393
Energy: 1.7544845156586695
Energy: 1.8276379384103165
Energy: 1.7544845156586695
Energy: 1.6989136511835499
Energy: 1.7544845156570796
Energy: 1.5634617881935255
Energy: 1.5214289586886345
Energy: 1.865485604377015
Energy: 1.5214289586886345
Energy: 1.5634617881951152
Energy: 1.5214289586886345
Energy: 1.3024515338833798
Energy: 1.7334118123029385
Energy: 1.7500003591582018
Energy: 1.733411812301349
Energy: 1.3024515338833798
Energy: 1.7334118123029385
Energy: 1.3025450235179694
Energy: 1.7545841433342872
Energy: 1.8649508795901826
Energy: 1.7545841433342872
Energy: 1.3025450235179694
Energy: 1.7545841433358766
Energy: 1.315972071213272
Energy: 1.5153303232211137
Energy: 1.86248034650951
Energy: 1.5153303232211137
Energy: 1.315972071213272
Energy: 1.5153303232211137
Energy: 1.6987242057307936
Energy: 1.7590890636549723
Energy: 1.8648023649802241
Energy: 1.7590890636549723
Energy: 1.6987242057307936
Energy: 1.7590890636549723
Energy: 1.9012246596308997
Energy: 1.5149098195805408
Energy: 1.8716721442884383
Energy: 1.5149098195805408
Energy: 1.9012246596324893
Energy: 1.5149098195805408

minimum gb energy = 1.3024515338833798 eV
minimum distance =  2.21362408649488 Angstroms
sigma value = 19


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

Energy: 1.8310433299798563
Energy: 1.7697608904110498
Energy: 1.4857505928115495
Energy: 1.7697608904110498
Energy: 1.8310433299798563
Energy: 1.7697608904119713
Energy: 1.3801426628312274
Energy: 1.73734864025952
Energy: 1.6568924159224248
Energy: 1.7373486402585772
Energy: 1.3801426628321702
Energy: 1.73734864025952
Energy: 1.3372094065241156
Energy: 1.7293531791122112
Energy: 1.575579163134315
Energy: 1.7293531791112684
Energy: 1.3372094065241156
Energy: 1.7293531791112684
Energy: 1.4636315803549818
Energy: 1.6344224763572315
Energy: 1.6916517647581257
Energy: 1.6344224763572315
Energy: 1.4636315803559248
Energy: 1.6344224763572315
Energy: 1.4259064779984403
Energy: 1.794904020301558
Energy: 1.8070368820651175
Energy: 1.794904020301558
Energy: 1.4259064779993833
Energy: 1.794904020301558
Energy: 1.702724747830588
Energy: 1.794879616645755
Energy: 1.4259171206517847
Energy: 1.794879616645755
Energy: 1.702724747830588
Energy: 1.794879616645755
Energy: 1.6915218283312288
Energy: 1.634523343079426
Energy: 1.465489789401474
Energy: 1.634523343079426
Energy: 1.6915218283312288
Energy: 1.634523343079426
Energy: 1.5755841270122573
Energy: 1.7172300855842138
Energy: 1.337256288695165
Energy: 1.7172300855832707
Energy: 1.5755841270113142
Energy: 1.7172300855832707
Energy: 1.6567365570336992
Energy: 1.7370476216439676
Energy: 1.391631115918181
Energy: 1.7370476216439676
Energy: 1.6567365570336992
Energy: 1.7370476216439676
Energy: 1.5294079739183735
Energy: 1.7697608904110498
Energy: 1.8310433299798563
Energy: 1.7697608904110498
Energy: 1.5294079739183735
Energy: 1.7697608904119713
Energy: 1.6568924159233676
Energy: 1.7373486402585772
Energy: 1.3931892475674006
Energy: 1.7373486402585772
Energy: 1.6568924159233676
Energy: 1.7373486402585772
Energy: 1.575579163135258
Energy: 1.7293531791112684
Energy: 1.3372094065250586
Energy: 1.7293531791112684
Energy: 1.575579163135258
Energy: 1.7293531791112684
Energy: 1.6916517647581257
Energy: 1.6344224763562885
Energy: 1.3581474720109903
Energy: 1.6344224763572315
Energy: 1.6916517647581257
Energy: 1.6344224763562885
Energy: 1.8656946491953794
Energy: 1.794904020301558
Energy: 1.4259064779984403
Energy: 1.794904020301558
Energy: 1.8656946491944366
Energy: 1.794904020301558
Energy: 1.4259171206517847
Energy: 1.794879616645755
Energy: 1.702724747830588
Energy: 1.794879616645755
Energy: 1.4259171206517847
Energy: 1.794879616645755
Energy: 1.4138507655537922
Energy: 1.634523343079426
Energy: 1.6915218283312288
Energy: 1.634523343079426
Energy: 1.4138507655537922
Energy: 1.634523343079426
Energy: 1.337256288696108
Energy: 1.7172300855832707
Energy: 1.5755841270122573
Energy: 1.7172300855832707
Energy: 1.337256288695165
Energy: 1.7172300855832707
Energy: 1.3916311159172379
Energy: 1.7370476216439676
Energy: 1.6567365570336992
Energy: 1.7370476216439676
Energy: 1.391631115918181
Energy: 1.7370476216439676
Energy: 1.8310433299798563
Energy: 1.7697608904110498
Energy: 1.5294079739183735
Energy: 1.7697608904110498
Energy: 1.8310433299798563
Energy: 1.7697608904110498
Energy: 1.3931892475664578
Energy: 1.7373486402585772
Energy: 1.6568924159233676
Energy: 1.7373486402585772
Energy: 1.3931892475702294
Energy: 1.73734864025952
Energy: 1.3372094065250586
Energy: 1.7293531791112684
Energy: 1.575579163135258
Energy: 1.7293531791112684
Energy: 1.3372094065250586
Energy: 1.7293531791112684
Energy: 1.3581474720109903
Energy: 1.6344224763572315
Energy: 1.6916517647581257
Energy: 1.6344224763572315
Energy: 1.3581474720109903
Energy: 1.6344224763572315
Energy: 1.4259064779993833
Energy: 1.794904020301558
Energy: 1.8656946491953794
Energy: 1.794904020301558
Energy: 1.4259064779993833
Energy: 1.7949040203006155
Energy: 1.702724747831531
Energy: 1.794879616645755
Energy: 1.4259171206508416
Energy: 1.794879616645755
Energy: 1.702724747830588
Energy: 1.794879616645755
Energy: 1.6915218283312288
Energy: 1.634523343079426
Energy: 1.465489789401474
Energy: 1.634523343079426
Energy: 1.6915218283312288
Energy: 1.634523343079426
Energy: 1.5755841270122573
Energy: 1.7172300855842138
Energy: 1.337256288695165
Energy: 1.7172300855842138
Energy: 1.5755841270122573
Energy: 1.7172300855842138
Energy: 1.6567365570336992
Energy: 1.7370476216430248
Energy: 1.391631115918181
Energy: 1.7370476216439676
Energy: 1.6567365570336992
Energy: 1.7370476216439676
Energy: 1.6078015163396038
Energy: 1.7697608904119713
Energy: 1.8310433299798563
Energy: 1.7697608904110498
Energy: 1.6078015163396038
Energy: 1.7697608904110498
Energy: 1.6568924159233676
Energy: 1.7373486402585772
Energy: 1.3931892475674006
Energy: 1.7373486402585772
Energy: 1.6568924159233676
Energy: 1.7373486402585772
Energy: 1.575579163135258
Energy: 1.7293531791112684
Energy: 1.3372094065241156
Energy: 1.7293531791112684
Energy: 1.575579163133372
Energy: 1.7293531791122112

minimum gb energy = 1.3372094065241156 eV
minimum distance =  2.2076515549083 Angstroms
sigma value = 27


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

Energy: 1.3082003013667822
Energy: 1.5938695242217933
Energy: 1.6156740944671897
Energy: 1.5938695242215573
Energy: 1.3082003013670183
Energy: 1.5938695242215573
Energy: 1.2883424052028638
Energy: 1.5758490646950087
Energy: 1.3391789838802053
Energy: 1.5758490646950087
Energy: 1.2883424052030998
Energy: 1.5758490646950087
Energy: 1.3213794296455825
Energy: 1.776494833950944
Energy: 1.4003751213580422
Energy: 1.776494833951154
Energy: 1.3213794296458188
Energy: 1.776494833950944
Energy: 1.3056011900475626
Energy: 1.5932583930349982
Energy: 1.3120401665235826
Energy: 1.5932583930349982
Energy: 1.3056011900480353
Energy: 1.5932583930349982
Energy: 1.3291341097697678
Energy: 1.5840829825886615
Energy: 1.3114253350551437
Energy: 1.584082982588898
Energy: 1.3291341097697678
Energy: 1.584082982588898
Energy: 1.313938281031885
Energy: 1.5457506524651206
Energy: 1.3272757146988021
Energy: 1.5457506524634934
Energy: 1.313938281031885
Energy: 1.545750652464202
Energy: 1.3276310850621282
Energy: 1.5955040164146959
Energy: 1.4021454465931351
Energy: 1.5955040164144594
Energy: 1.3276310850614461
Energy: 1.5955040164146959
Energy: 1.3057029405554428
Energy: 1.5848804928314284
Energy: 1.3304963199141364
Energy: 1.5848804928314284
Energy: 1.3057029405559155
Energy: 1.5848804928311921
Energy: 1.3113094202825026
Energy: 1.678289690012369
Energy: 1.3385283151655782
Energy: 1.678289690012133
Energy: 1.3113094202825026
Energy: 1.6782896900119226
Energy: 1.3139795762756135
Energy: 1.6998913097918749
Energy: 1.3139755397785629
Energy: 1.6998913097916388
Energy: 1.3139795762756135
Energy: 1.6998913097916388
Energy: 1.3283270487153236
Energy: 1.6783883119554985
Energy: 1.3114281837797601
Energy: 1.6783883119543432
Energy: 1.3283270487155598
Energy: 1.6783883119545797
Energy: 1.3288749673413678
Energy: 1.5848074721462353
Energy: 1.3074693116098957
Energy: 1.584807472145763
Energy: 1.3288749673411315
Energy: 1.584807472145763

minimum gb energy = 1.2883424052028638 eV
minimum distance =  2.22638110545411 Angstroms
sigma value = 9


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

Energy: 1.9664490261287941
Energy: 1.737064080031622
Energy: 1.516532316474087
Energy: 1.7370640800322708
Energy: 1.9664490261281453
Energy: 1.737064080031622
Energy: 1.5806557591141441
Energy: 1.7180777052404619
Energy: 1.51558198507592
Energy: 1.718077705239813
Energy: 1.5806557591141441
Energy: 1.742492148987601
Energy: 1.5016787182941194
Energy: 1.7811299623963963
Energy: 1.482254985971201
Energy: 1.7811299623963963
Energy: 1.5016787182941194
Energy: 1.7811299623957475
Energy: 1.4391839696939153
Energy: 1.6954314183900894
Energy: 1.4360009204661663
Energy: 1.6954314183907382
Energy: 1.4391839696939153
Energy: 1.6954314183907382
Energy: 1.4045364887399099
Energy: 1.7448377405163473
Energy: 1.3683093206048955
Energy: 1.7448377405176452
Energy: 1.404536488739261
Energy: 1.7448377405156985
Energy: 1.3856544792833705
Energy: 1.7202307797961784
Energy: 1.4434277089449645
Energy: 1.6755411617622424
Energy: 1.3856544792833705
Energy: 1.7202307797955296
Energy: 1.6185199220515825
Energy: 1.7702621438178854
Energy: 1.4402340589240454
Energy: 1.7702621438165875
Energy: 1.6185199220528803
Energy: 1.7702621438178854
Energy: 1.6829976828847297
Energy: 1.8012334380913766
Energy: 1.5295527871713113
Energy: 1.8012334380913766
Energy: 1.6829976828847297
Energy: 1.8012334380907278
Energy: 1.6142776549435882
Energy: 1.7239588947369284
Energy: 1.5764534648671187
Energy: 1.7239588947375772
Energy: 1.614277654944237
Energy: 1.7239588947369284
Energy: 1.6855324136009942
Energy: 1.8416697863256697
Energy: 1.47203383258569
Energy: 1.8416697863263187
Energy: 1.6855324136009942
Energy: 1.8416697863256697
Energy: 1.6864656051409879
Energy: 1.7777708003095267
Energy: 1.4418598679291459
Energy: 1.7777708003088777
Energy: 1.686465605141637
Energy: 1.7777708003095267
Energy: 1.5029684413465654
Energy: 1.7777704321804984
Energy: 1.4803015061806974
Energy: 1.7777704321811472
Energy: 1.5029684413465654
Energy: 1.7777704321804984
Energy: 1.3584078009118832
Energy: 1.598847144692395
Energy: 1.3656569392165934
Energy: 1.598847144692395
Energy: 1.3584078009125322
Energy: 1.5988471446930437
Energy: 1.5821949457069557
Energy: 1.8531184049841452
Energy: 1.3751305131251204
Energy: 1.8531184049841452
Energy: 1.5821949457069557
Energy: 1.8531184049834963
Energy: 1.5006805897832962
Energy: 1.7788329934710683
Energy: 1.4653048102265809
Energy: 1.7788329934710683
Energy: 1.5006805897826474
Energy: 1.7788329934704192
Energy: 1.5012719994386519
Energy: 1.721909708057981
Energy: 1.4885339501196038
Energy: 1.721909708057981
Energy: 1.5012719994386519
Energy: 1.721909708057981
Energy: 1.6824222781802203
Energy: 1.8434495546579783
Energy: 1.4129707445145923
Energy: 1.8434495546573293
Energy: 1.682422278180869
Energy: 1.8434495546579783
Energy: 1.517598352295541
Energy: 1.7036673373724032
Energy: 1.4723462660145432
Energy: 1.7036673373724032
Energy: 1.517598352295541
Energy: 1.703667337373052
Energy: 1.620866616906143
Energy: 1.7757554589751283
Energy: 1.3869809484114373
Energy: 1.7757554589751283
Energy: 1.6208666169054942
Energy: 1.7757554589757771
Energy: 1.4257477130634089
Energy: 1.7643571645217901
Energy: 1.425310492144546
Energy: 1.7643571645211413
Energy: 1.4257477130634089
Energy: 1.7643571645224392
Energy: 1.3893191098968798
Energy: 1.7968280744774008
Energy: 1.645073110056569
Energy: 1.7968280744774008
Energy: 1.3893191098962308
Energy: 1.7968280744774008
Energy: 1.4648228497571494
Energy: 1.6472984615733217
Energy: 1.511542525090217
Energy: 1.6472984615726727
Energy: 1.4648228497577984
Energy: 1.6472984615720239
Energy: 1.4792362990555863
Energy: 1.7870014297903467
Energy: 1.6709689586474037
Energy: 1.7870014297903467
Energy: 1.4792362990555863
Energy: 1.7870014297909957
Energy: 1.4799768506977076
Energy: 1.7394944522209366
Energy: 1.5124316971328375
Energy: 1.7394944522209366
Energy: 1.4799768506977076
Energy: 1.7394944522215856
Energy: 1.4504849369910038
Energy: 1.7976268870616947
Energy: 1.5043397413970843
Energy: 1.7976268870623437
Energy: 1.4504849369916524
Energy: 1.7976268870623437
Energy: 1.4422319227311622
Energy: 1.8702850498084922
Energy: 1.5776055340821213
Energy: 1.87028504980979
Energy: 1.442231922731811
Energy: 1.8702850498084922
Energy: 1.4837475060059946
Energy: 1.5815377749320978
Energy: 1.3585924996156964
Energy: 1.5815377749320978
Energy: 1.4837475060066436
Energy: 1.5815377749320978
Energy: 1.5162151094466385
Energy: 1.7509011301894244
Energy: 1.5043040614373855
Energy: 1.7509011301900734
Energy: 1.5162151094472878
Energy: 1.7509011301900734
Energy: 1.4383499184824544
Energy: 1.7756763900674324
Energy: 1.5653920469622593
Energy: 1.7756763900667836
Energy: 1.4383499184831032
Energy: 1.7756763900667836
Energy: 1.490216821726176
Energy: 1.7887373787117269
Energy: 1.687110637420462
Energy: 1.7887373787136738
Energy: 1.4902168217268248
Energy: 1.7887373787110776
Energy: 1.4781013136529508
Energy: 1.6836345202108707
Energy: 1.5811365759322855
Energy: 1.6836345202108707
Energy: 1.4781013136535996
Energy: 1.6836345202115197
Energy: 1.5233750060679319
Energy: 1.7611882870587856
Energy: 1.6836586461682022
Energy: 1.7611882870587856
Energy: 1.5233750060679319
Energy: 1.7611882870581366
Energy: 1.4435347155690221
Energy: 1.7931328385633152
Energy: 1.7218655659082065
Energy: 1.7931328385626661
Energy: 1.4435347155671048
Energy: 1.7931328385626661
Energy: 1.439399117207782
Energy: 1.5980926697778008
Energy: 1.3807497038651004
Energy: 1.598092669776503
Energy: 1.439399117208431
Energy: 1.598092669777152
Energy: 1.3985340950852196
Energy: 1.7276528826876445
Energy: 1.403848187557799
Energy: 1.7276528826863464
Energy: 1.398534095083273
Energy: 1.7276528826869955
Energy: 1.434936566639859
Energy: 1.6824319581987812
Energy: 1.4391389388698217
Energy: 1.682431958200728
Energy: 1.43493656663921
Energy: 1.68243195819943
Energy: 1.5078887130383432
Energy: 1.84049221042234
Energy: 1.5018532379671523
Energy: 1.840492210422989
Energy: 1.5078887130376941
Energy: 1.84049221042234
Energy: 1.49094308994541
Energy: 1.7341844436992235
Energy: 1.566837965085474
Energy: 1.7341844436985747
Energy: 1.49094308994541
Energy: 1.7341844437005214
Energy: 1.520226738250391
Energy: 1.760460441164183
Energy: 1.8460248263598318
Energy: 1.7604604411628852
Energy: 1.5202267382510397
Energy: 1.7604604411628852
Energy: 1.515581985074622
Energy: 1.7424921489895477
Energy: 1.665562170868124
Energy: 1.7424921489895477
Energy: 1.515581985074622
Energy: 1.7424921489895477
Energy: 1.482254985969903
Energy: 1.7811299623970454
Energy: 1.5018925790754134
Energy: 1.7811299623970454
Energy: 1.4822549859692835
Energy: 1.7811299623963963
Energy: 1.4360009204694109
Energy: 1.6954314183900894
Energy: 1.4395064213066495
Energy: 1.6954314183887913
Energy: 1.4360009204694109
Energy: 1.6954314183900894
Energy: 1.4324914099059345
Energy: 1.7448377405163473
Energy: 1.4041681644966069
Energy: 1.7448377405176452
Energy: 1.4324914099072323
Energy: 1.7448377405156985

minimum gb energy = 1.3584078009118832 eV
minimum distance =  2.16663981343923 Angstroms
sigma value = 57


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

Energy: 1.538557866936465
Energy: 1.5942180371274837
Energy: 1.441728358710174
Energy: 1.5942180371274837
Energy: 1.538557866934988
Energy: 1.5942180371274837
Energy: 1.901273991395424
Energy: 1.596921950747161
Energy: 1.2762734670091458
Energy: 1.596921950747161
Energy: 1.901273991395424
Energy: 1.596921950747161
Energy: 1.2385258043333305
Energy: 1.5568106675544024
Energy: 1.3769925653913724
Energy: 1.5568106675544024
Energy: 1.2385258043318532
Energy: 1.5568106675558797
Energy: 1.271281990530224
Energy: 1.5923724048267545
Energy: 1.3311464767325112
Energy: 1.5923724048267545
Energy: 1.271281990530224
Energy: 1.5923724048267545
Energy: 1.2728605777523814
Energy: 1.5943446149708849
Energy: 1.2816572236787493
Energy: 1.5943446149708849
Energy: 1.2728605777523814
Energy: 1.5943446149694076
Energy: 1.9180736206836801
Energy: 1.553384267843143
Energy: 1.2663814556565547
Energy: 1.553384267843143
Energy: 1.9180736206836801
Energy: 1.553384267843143
Energy: 1.9180557726555445
Energy: 1.5535038702170396
Energy: 1.2665830056053955
Energy: 1.5535038702170396
Energy: 1.9180557726555445
Energy: 1.5535038702185167
Energy: 1.2728611726602042
Energy: 1.5946709858172547
Energy: 1.2735968090866365
Energy: 1.5946709858172547
Energy: 1.2728611726602042
Energy: 1.5946709858172547
Energy: 1.2712858845583623
Energy: 1.5920276018737138
Energy: 1.2816729670638667
Energy: 1.592027601875191
Energy: 1.2712858845598396
Energy: 1.592027601875191
Energy: 1.2386823748858204
Energy: 1.556576598241029
Energy: 1.37760716750586
Energy: 1.556576598241029
Energy: 1.2386823748858204
Energy: 1.556576598241029
Energy: 1.90122712483561
Energy: 1.596921950747161
Energy: 1.3336338464865443
Energy: 1.5969219507456835
Energy: 1.9012271248370873
Energy: 1.5969219507456835
Energy: 1.538557866934988
Energy: 1.594218037128961
Energy: 1.4030719329802401
Energy: 1.594218037128961
Energy: 1.538557866936465
Energy: 1.5942180371274837
Energy: 1.901273991395424
Energy: 1.596921950747161
Energy: 1.2762734670076683
Energy: 1.596921950747161
Energy: 1.9012739913969012
Energy: 1.596921950747161
Energy: 1.2385258043318532
Energy: 1.5568106675544024
Energy: 1.3769925653898951
Energy: 1.5568106675544024
Energy: 1.2385258043318532
Energy: 1.5568106675544024
Energy: 1.271281990530224
Energy: 1.5923724048267545
Energy: 1.273187046484833
Energy: 1.5923724048252774
Energy: 1.271281990530224
Energy: 1.5923724048267545
Energy: 1.2728605777523814
Energy: 1.5943446149708849
Energy: 1.2816572236802268
Energy: 1.5943446149708849
Energy: 1.2728605777523814
Energy: 1.5943446149694076
Energy: 1.9180736206836801
Energy: 1.553384267843143
Energy: 1.266381455658032
Energy: 1.553384267843143
Energy: 1.9180736206836801
Energy: 1.553384267843143
Energy: 1.9180557726555445
Energy: 1.5535038702185167
Energy: 1.2665830056083498
Energy: 1.5535038702185167
Energy: 1.9180557726555445
Energy: 1.5535038702170396
Energy: 1.2728611726602042
Energy: 1.5946709858172547
Energy: 1.2735968090881138
Energy: 1.5946709858187322
Energy: 1.272861172658727
Energy: 1.5946709858172547

minimum gb energy = 1.2385258043318532 eV
minimum distance =  2.16684135093206 Angstroms
sigma value = 11


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

Energy: 1.304655665126143
Energy: 1.5444447904301133
Energy: 1.2818765804715462
Energy: 1.5444447904311953
Energy: 1.304655665126143
Energy: 1.5444447904311953
Energy: 1.9067447875218098
Energy: 1.46157557560916
Energy: 1.1524917294605845
Energy: 1.4615755756102422
Energy: 1.9067447875218098
Energy: 1.461575575612357
Energy: 1.3188067146963645
Energy: 1.440941037205565
Energy: 1.2856872769798067
Energy: 1.440941037205565
Energy: 1.318806714698529
Energy: 1.440941037205565
Energy: 1.6055536804217394
Energy: 1.43304912948838
Energy: 1.1519147138564922
Energy: 1.433049129490544
Energy: 1.6055536804217394
Energy: 1.43304912948838
Energy: 1.1448117084181373
Energy: 1.5888416893621595
Energy: 1.1627659139318516
Energy: 1.5888416893632413
Energy: 1.144811708417055
Energy: 1.5888416893610773
Energy: 1.1734159487919393
Energy: 1.5304794195654918
Energy: 1.1513102851173416
Energy: 1.530479419566574
Energy: 1.1734159487919393
Energy: 1.530479419566574
Energy: 1.174692079970445
Energy: 1.5762965000929257
Energy: 1.1490577760841445
Energy: 1.5762965000929257
Energy: 1.174692079970445
Energy: 1.5762965000918434
Energy: 1.628064841471875
Energy: 1.5803660477098713
Energy: 1.2900472182613165
Energy: 1.5803660477098713
Energy: 1.628064841471875
Energy: 1.5803660477098713
Energy: 1.6274418999094908
Energy: 1.5810365688841608
Energy: 1.6176807401622744
Energy: 1.5810365688841608
Energy: 1.6274418999094908
Energy: 1.5810365688841608
Energy: 1.1766169935824122
Energy: 1.441190700767434
Energy: 1.1509675931924195
Energy: 1.4411907007663518
Energy: 1.1766169935824122
Energy: 1.441190700767434
Energy: 1.175510992220797
Energy: 1.5331200939249767
Energy: 1.148914474234224
Energy: 1.5331200939249767
Energy: 1.1755109922229612
Energy: 1.5331200939249767
Energy: 1.1486623243365033
Energy: 1.5794013728846346
Energy: 1.1520729061711954
Energy: 1.5794013728846346
Energy: 1.1486623243365033
Energy: 1.5794013728846346
Energy: 1.6267319429215215
Energy: 1.4349907464943765
Energy: 1.1785191556926171
Energy: 1.4349907464932945
Energy: 1.6267319429204392
Energy: 1.4349907464954588
Energy: 1.2856163837475296
Energy: 1.441436942820149
Energy: 1.1737012434924843
Energy: 1.4414369428190668
Energy: 1.2856163837486119
Energy: 1.441436942820149
Energy: 1.9088196632311125
Energy: 1.461157739359492
Energy: 1.1491209943849614
Energy: 1.4611577393573274
Energy: 1.9088196632311125
Energy: 1.4611577393562454
Energy: 1.2957274016251095
Energy: 1.5398607763833845
Energy: 1.4030308644455398
Energy: 1.5398607763823022
Energy: 1.295727401620781
Energy: 1.5398607763833845
Energy: 1.9135339002770169
Energy: 1.4577635934486635
Energy: 1.1631407173693247
Energy: 1.4577635934497457
Energy: 1.9135339002759346
Energy: 1.4577635934486635
Energy: 1.2852500136610592
Energy: 1.441425718135925
Energy: 1.1710203617113881
Energy: 1.441425718135925
Energy: 1.2852500136599772
Energy: 1.441425718135925
Energy: 1.6076481443664496
Energy: 1.4335682316204625
Energy: 1.1481706290152223
Energy: 1.4335682316204625
Energy: 1.607648144367532
Energy: 1.4335682316194296
Energy: 1.1485387472109505
Energy: 1.5478095166666206
Energy: 1.1609559541609924
Energy: 1.5478095166655386
Energy: 1.1485387472109505
Energy: 1.5478095166677028
Energy: 1.6987872822690284
Energy: 1.5233846402613023
Energy: 1.2755542314142598
Energy: 1.5233846402613023
Energy: 1.6987872822701107
Energy: 1.5233846402613023
Energy: 1.1766993093445128
Energy: 1.5756747154567419
Energy: 1.1471963445396804
Energy: 1.5756747154567419
Energy: 1.176699309345595
Energy: 1.5756747154567419
Energy: 1.6293870076675177
Energy: 1.5825508937333717
Energy: 1.2906053303676972
Energy: 1.5825508937333717
Energy: 1.6293870076664354
Energy: 1.5825508937333717
Energy: 1.1506053900551052
Energy: 1.5970744880334895
Energy: 1.6165757380747392
Energy: 1.5970744880334895
Energy: 1.1506053900551052
Energy: 1.5970744880334895
Energy: 1.1670385350359476
Energy: 1.4398379036095998
Energy: 1.2757384870981205
Energy: 1.4398379036106816
Energy: 1.1670385350359476
Energy: 1.4398379036085176
Energy: 1.1726758168110951
Energy: 1.5287968829221321
Energy: 1.1469537209590603
Energy: 1.5287968829221321
Energy: 1.1726758168110951
Energy: 1.5287968829232144

minimum gb energy = 1.144811708417055 eV
minimum distance =  2.23208752889721 Angstroms
sigma value = 41


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

Energy: 1.7112012944903818
Energy: 1.4857625556378284
Energy: 1.1492744590160537
Energy: 1.4857625556378284
Energy: 1.711201294491235
Energy: 1.4857625556378284
Energy: 2.1069417721830894
Energy: 1.3095360286898046
Energy: 1.0916912331614874
Energy: 1.3095360286898046
Energy: 2.1069417721830894
Energy: 1.3095360286906572
Energy: 1.1588538673280202
Energy: 1.4131792780209607
Energy: 1.1897617809605034
Energy: 1.4131792780218135
Energy: 1.1588538673280202
Energy: 1.4131792780209607
Energy: 1.9202983188672673
Energy: 1.28541842258845
Energy: 1.0481695040831776
Energy: 1.2854184225893026
Energy: 1.9202983188672673
Energy: 1.2854184225893026
Energy: 1.1537971868372014
Energy: 1.296080111962029
Energy: 1.092258152687534
Energy: 1.2960801119628822
Energy: 1.1537971868372014
Energy: 1.2960801119628822
Energy: 1.4287757711901452
Energy: 1.3834867169749296
Energy: 1.0919175212414547
Energy: 1.3834867169740768
Energy: 1.4287757711892923
Energy: 1.3834867169749296
Energy: 1.0566276382504527
Energy: 1.3990659204445364
Energy: 1.0485155885599127
Energy: 1.3990659204419775
Energy: 1.0566276382504527
Energy: 1.3990659204445364
Energy: 1.4922624003450689
Energy: 1.4179409522576631
Energy: 1.1429337066189325
Energy: 1.4179409522576631
Energy: 1.4922624003450689
Energy: 1.4179409522576631
Energy: 1.083605465667294
Energy: 1.3963923046194853
Energy: 1.4102341231995887
Energy: 1.3963923046203381
Energy: 1.083605465667294
Energy: 1.3963923046194853
Energy: 1.4347314614961342
Energy: 1.4146779740091677
Energy: 1.6792807362427602
Energy: 1.4146779740091677
Energy: 1.4347314614952813
Energy: 1.4146779740091677
Energy: 1.4342029813277077
Energy: 1.4696688892537344
Energy: 1.4701398067189317
Energy: 1.4696688892537344
Energy: 1.4342029813268546
Energy: 1.4696688892537344
Energy: 1.0638518634456657
Energy: 1.4178700783516256
Energy: 1.142516161073445
Energy: 1.4315868444842679
Energy: 1.0638518634456657
Energy: 1.4178700783516256
Energy: 1.0838084921046123
Energy: 1.3844949234432125
Energy: 1.411401560536378
Energy: 1.3844949234423596
Energy: 1.0838084921046123
Energy: 1.3844949234432125
Energy: 1.0527030643448145
Energy: 1.4008997543563992
Energy: 1.0922532087039338
Energy: 1.4008997543555461
Energy: 1.0527030643439617
Energy: 1.4008997543555461
Energy: 1.427873294882031
Energy: 1.3839530411066236
Energy: 1.0481759927827945
Energy: 1.3839530411057708
Energy: 1.427873294882031
Energy: 1.3839530411066236
Energy: 1.1318680603690154
Energy: 1.3995410892026994
Energy: 1.051121041340476
Energy: 1.3995410892035522
Energy: 1.1318680603681626
Energy: 1.3995410892018465
Energy: 1.4072490374841093
Energy: 1.3990750439857842
Energy: 1.0648926787827504
Energy: 1.3990750439857842
Energy: 1.4072490374824422
Energy: 1.3990750439857842
Energy: 1.140521837882154
Energy: 1.4004368047199125
Energy: 1.0640875274549308
Energy: 1.4004368047199125
Energy: 1.1405218378830073
Energy: 1.4004368047207651
Energy: 2.106823517149518
Energy: 1.3111361808548165
Energy: 1.0480395236324533
Energy: 1.3111361808548165
Energy: 2.106823517149518
Energy: 1.3111361808548165
Energy: 1.6778428248460968
Energy: 1.3984475354237162
Energy: 1.436030909430667
Energy: 1.3984475354237162
Energy: 1.6778428248452442
Energy: 1.3984475354237162
Energy: 1.8521402288640927
Energy: 1.3099061531028735
Energy: 1.064715836895285
Energy: 1.3099061531037262
Energy: 1.8521402288657982
Energy: 1.3099061531028735
Energy: 1.1406129498679198
Energy: 1.4393405797290522
Energy: 1.2020794821129972
Energy: 1.4393405797299048
Energy: 1.1406129498679198
Energy: 1.4393405797299048
Energy: 1.6579999511109431
Energy: 1.285371652181843
Energy: 1.0477122723070225
Energy: 1.285371652181843
Energy: 1.6579999511109431
Energy: 1.2853716521809901
Energy: 1.1315822611935793
Energy: 1.382919606549821
Energy: 1.2464121945313584
Energy: 1.382919606549821
Energy: 1.1315822611927262
Energy: 1.382919606549821
Energy: 1.2498193571884153
Energy: 1.382991440007594
Energy: 1.1345722689131825
Energy: 1.382991440007594
Energy: 1.2498193571884153
Energy: 1.382991440007594
Energy: 1.0526736117159567
Energy: 1.2857058097755414
Energy: 1.231452114441154
Energy: 1.2857058097746885
Energy: 1.0526736117151039
Energy: 1.2857058097746885
Energy: 1.4702413893954065
Energy: 1.4156552714150141
Energy: 1.142397230642404
Energy: 1.4156552714158672
Energy: 1.4702413893954065
Energy: 1.4156552714158672
Energy: 1.064198902258452
Energy: 1.403940732110969
Energy: 1.6655877034319126
Energy: 1.403940732110969
Energy: 1.064198902258452
Energy: 1.403940732110969
Energy: 1.4339599578432343
Energy: 1.3995051981091957
Energy: 1.6775528536048236
Energy: 1.3995051981091957
Energy: 1.4339599578432343
Energy: 1.39950519810749
Energy: 1.049105211712384
Energy: 1.3395285802792745
Energy: 1.6758485082106105
Energy: 1.3395285802792745
Energy: 1.0491052117132371
Energy: 1.3395285802792745
Energy: 1.0642311314484032
Energy: 1.3994439792875555
Energy: 1.1466253667850288
Energy: 1.3994439792884086
Energy: 1.0642311314484032
Energy: 1.3994439792867028
Energy: 1.0643161442854308
Energy: 1.471598615834943
Energy: 1.4102751983510506
Energy: 1.47159861583409
Energy: 1.0643161442854308
Energy: 1.47159861583409
Energy: 1.0483026968109779
Energy: 1.4058968850981106
Energy: 1.1343644021651895
Energy: 1.4058968850989635
Energy: 1.0483026968109779
Energy: 1.4058968850989635

minimum gb energy = 1.0477122723070225 eV
minimum distance =  2.2329198407518 Angstroms
sigma value = 33


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

Energy: 1.3867400588074232
Energy: 1.239844032073578
Energy: 1.0853233945936442
Energy: 1.2398440320753736
Energy: 1.3867400588074232
Energy: 1.2398440320759723
Energy: 1.9742938572651714
Energy: 1.104493252648014
Energy: 0.9504936458999986
Energy: 1.1044932526468167
Energy: 1.97429385726577
Energy: 1.1044932526474154
Energy: 1.3683121755572751
Energy: 1.2807563545502547
Energy: 1.0731056420652036
Energy: 1.2807563545502547
Energy: 1.3683121755572751
Energy: 1.2807563545508531
Energy: 1.83923861256149
Energy: 1.0977505611695886
Energy: 0.9268383224358362
Energy: 1.0977505611672487
Energy: 1.8392386125620885
Energy: 1.0977505611654528
Energy: 1.00126960059001
Energy: 1.2206758994951883
Energy: 0.9334261429254122
Energy: 1.2206758994945899
Energy: 1.00126960059001
Energy: 1.2206758994945899
Energy: 1.6755602441757442
Energy: 1.178359797869723
Energy: 0.9529120304465221
Energy: 1.1783597978703215
Energy: 1.6755602441757442
Energy: 1.1783597978739127
Energy: 0.987614408388212
Energy: 1.194176112523395
Energy: 0.9261959915986123
Energy: 1.1941761125227965
Energy: 0.9876144083864162
Energy: 1.1941761125215993
Energy: 1.522847043284475
Energy: 1.1838026088639102
Energy: 0.977697586529199
Energy: 1.1838026088639102
Energy: 1.5228470432838763
Energy: 1.1838026088633116
Energy: 0.9385377662484364
Energy: 1.2215998124415715
Energy: 1.210556972281163
Energy: 1.22159981244217
Energy: 0.9385377662490351
Energy: 1.2215998124415715
Energy: 1.1802322808209216
Energy: 1.2161640009431847
Energy: 1.3465763537156104
Energy: 1.2161640009431847
Energy: 1.1802322808209216
Energy: 1.2161640009431847
Energy: 0.9511980209355955
Energy: 1.193772069237508
Energy: 1.2846000744414274
Energy: 1.193772069237508
Energy: 0.9511980209349968
Energy: 1.193772069237508
Energy: 1.5345900732885303
Energy: 1.256209637215741
Energy: 1.3538859859464125
Energy: 1.2562096372181353
Energy: 1.5345900732879316
Energy: 1.2562096372169382
Energy: 1.218835586084198
Energy: 1.2119765812965597
Energy: 1.5138383923877308
Energy: 1.2119765812971584
Energy: 1.218835586084198
Energy: 1.2119765812971584
Energy: 1.2273140800914097
Energy: 1.2318018927752052
Energy: 1.5220623896364154
Energy: 1.2318018927752052
Energy: 1.2273140800920084
Energy: 1.2318018927764025
Energy: 1.1885425825986402
Energy: 1.244328963208212
Energy: 1.5217365512262409
Energy: 1.244328963207015
Energy: 1.1885425825980416
Energy: 1.2443289632088106
Energy: 1.2468563236345933
Energy: 1.254169827558383
Energy: 1.354126768628344
Energy: 1.2541698275577844
Energy: 1.246856323635192
Energy: 1.25416982755958
Energy: 1.2000127775909686
Energy: 1.261096249932529
Energy: 1.4337485943472696
Energy: 1.261096249932529
Energy: 1.2000127775909686
Energy: 1.2610962499319303
Energy: 0.9277397531970143
Energy: 1.2511014796182558
Energy: 1.347162960170236
Energy: 1.2511014796182558
Energy: 0.9277397531970143
Energy: 1.2511014796182558
Energy: 1.1860586714355152
Energy: 1.213315354852806
Energy: 1.260971893462564
Energy: 1.213315354854003
Energy: 1.1860586714349166
Energy: 1.2133153548522073
Energy: 0.9335206363602141
Energy: 1.2518565022663677
Energy: 0.9783298996923819
Energy: 1.251856502266966
Energy: 0.9335206363602141
Energy: 1.2518565022675647
Energy: 1.2183071150349905
Energy: 1.208838382148804
Energy: 1.210274872442777
Energy: 1.2088383821511985
Energy: 1.2183071150355889
Energy: 1.2088383821452129
Energy: 0.9798200213059881
Energy: 1.2486915345096992
Energy: 0.9530634268668416
Energy: 1.2486915345085021
Energy: 0.9798200213065867
Energy: 1.2486915345091005
Energy: 1.4845699646448205
Energy: 1.2205383806159813
Energy: 0.9266915603266528
Energy: 1.2205383806153827
Energy: 1.4845699646448205
Energy: 1.2205383806159813
Energy: 0.9954610053390639
Energy: 1.2518320543077486
Energy: 0.9270298727860256
Energy: 1.25183205430715
Energy: 0.9954610053390639
Energy: 1.2518320543077486
Energy: 1.5191270136054225
Energy: 1.2080509821607008
Energy: 1.2308316615711006
Energy: 1.2080509821612995
Energy: 1.5191270136054225
Energy: 1.2080509821607008
Energy: 1.356844014937083
Energy: 1.2458111917740868
Energy: 0.9349346612454705
Energy: 1.2458111917710941
Energy: 1.356844014937083
Energy: 1.2458111917740868
Energy: 1.9775257456753583
Energy: 1.1388696425274585
Energy: 0.925731353533445
Energy: 1.13886964252686
Energy: 1.9775257456759567
Energy: 1.1388696425256628
Energy: 1.3689866780592885
Energy: 1.2252854586458297
Energy: 1.2305985623770077
Energy: 1.225285458647027
Energy: 1.3689866780580915
Energy: 1.2252854586464283
Energy: 1.6598975528246052
Energy: 1.209598166224672
Energy: 1.2311759532228486
Energy: 1.209598166224672
Energy: 1.6598975528258024
Energy: 1.2095981662252704
Energy: 1.3581637958993453
Energy: 1.2538181421628112
Energy: 1.2017085888874217
Energy: 1.2538181421628112
Energy: 1.358163795899944
Energy: 1.2538181421622125
Energy: 1.6481530716394976
Energy: 1.0969913883372358
Energy: 0.9275600093250344
Energy: 1.0969913883384328
Energy: 1.6481530716383008
Energy: 1.0969913883372358
Energy: 0.9950983403492466
Energy: 1.211901881388294
Energy: 1.2019039702719942
Energy: 1.2119018813888927
Energy: 0.9950983403492466
Energy: 1.211901881387097
Energy: 1.346776198801398
Energy: 1.1821166535893288
Energy: 0.9335250546552203
Energy: 1.1821166535893288
Energy: 1.3467761988007994
Energy: 1.1821166535899272
Energy: 0.9797691437351715
Energy: 1.1839588670535135
Energy: 1.5114470899796644
Energy: 1.183958867052915
Energy: 0.9797691437351715
Energy: 1.1839588670535135
Energy: 1.507561189487195
Energy: 1.1839530617839025
Energy: 0.9797154352737611
Energy: 1.1839530617821068
Energy: 1.5075611894865966
Energy: 1.1839530617827054
Energy: 0.9335502497300643
Energy: 1.182109844339068
Energy: 1.3467429402022182
Energy: 1.1821098443396667
Energy: 0.9335502497300643
Energy: 1.182109844340864
Energy: 1.2017955110401906
Energy: 1.2119503427011271
Energy: 0.9953350620917657
Energy: 1.2119503427017255
Energy: 1.2017955110401906
Energy: 1.21195034270412
Energy: 0.9274504049257515
Energy: 1.0968963842001498
Energy: 1.6477783825261538
Energy: 1.0968963841989525
Energy: 0.9274504049257515
Energy: 1.0968963842025437
Energy: 1.201708588884429
Energy: 1.2537486202851178
Energy: 1.3570353737445864
Energy: 1.2537486202833221
Energy: 1.201708588884429
Energy: 1.2537486202839208
Energy: 1.105319168456754
Energy: 1.2094092889718056
Energy: 1.6599107853027009
Energy: 1.2094092889730026
Energy: 1.105319168456754
Energy: 1.209409288972404
Energy: 1.230735936501825
Energy: 1.228057430918226
Energy: 1.3688325563596746
Energy: 1.2280574309188246
Energy: 1.2307359365006278
Energy: 1.2280574309188246
Energy: 0.9257520981050106
Energy: 1.138493897644588
Energy: 1.9776298589011436
Energy: 1.1384938976451866
Energy: 0.9257520981044121
Energy: 1.1384938976439893
Energy: 0.9347496987267581
Energy: 1.2466551083104767
Energy: 1.35676603671227
Energy: 1.2466551083092796
Energy: 0.9347496987261594
Energy: 1.2466551083080826
Energy: 1.1051784114511445
Energy: 1.2077126568384795
Energy: 1.5203783508568642
Energy: 1.207712656837881
Energy: 1.105178411450546
Energy: 1.2077126568372825
Energy: 0.9269838468743384
Energy: 1.25138754573252
Energy: 0.9958350540890559
Energy: 1.25138754573252
Energy: 0.9269838468737399
Energy: 1.25138754573252
Energy: 0.9265363002867448
Energy: 1.2205383806159813
Energy: 1.484408731773657
Energy: 1.2205383806153827
Energy: 0.9265363002861462
Energy: 1.2205383806159813
Energy: 0.9753413544057943
Energy: 1.2492893292425986
Energy: 0.9799870564187279
Energy: 1.2492893292425986
Energy: 0.9753413544057943
Energy: 1.249289329242

minimum gb energy = 0.925731353533445 eV
minimum distance =  2.24337637878838 Angstroms
sigma value = 67


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

Energy: 0.3450883395838369
Energy: 0.345643410339684
Energy: 1.9365204185627494
Energy: 0.34564341033927487
Energy: 0.3450883395838369
Energy: 0.345643410339684
Energy: 0.2713632919970209
Energy: 0.7487456203504548
Energy: 0.6395876133774803
Energy: 0.7487456203496365
Energy: 0.2713632919970209
Energy: 0.7487456203504548
Energy: 0.3450883395838369
Energy: 0.345643410339684
Energy: 2.1356188888022922
Energy: 0.345643410339684
Energy: 0.3450883395838369
Energy: 0.345643410339684
Energy: 0.2713632919970209
Energy: 0.7487456203500457
Energy: 0.6395876133778894
Energy: 0.7487456203492273
Energy: 0.2713632919970209
Energy: 0.7487456203496365
Energy: 0.3450883395838369
Energy: 0.34564341033927487
Energy: 2.1356188888042924
Energy: 0.34564341033927487
Energy: 0.3450883395838369
Energy: 0.34564341033927487
Energy: 0.2713632919970209
Energy: 0.7487456203500457
Energy: 0.6395876133786849
Energy: 0.7487456203496365
Energy: 0.2713632919970209
Energy: 0.7487456203492273
Energy: 0.3450883395834277
Energy: 0.34564341033927487
Energy: 1.7694636160353692
Energy: 0.34564341033927487
Energy: 0.3450883395838369
Energy: 0.345643410339684

minimum gb energy = 0.2713632919970209 eV
minimum distance =  2.45030535975393 Angstroms
sigma value = 3


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

Energy: 1.5944839158769055
Energy: 1.238963608235108
Energy: 1.1672035098534947
Energy: 1.2389636082345636
Energy: 1.5944839158725501
Energy: 1.2389636082340194
Energy: 1.9344363258343813
Energy: 0.944622110922224
Energy: 0.924350320996842
Energy: 0.944622110922224
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Energy: 1.553543989512896
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Energy: 1.5700065978089397
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Energy: 0.9283665744048485
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Energy: 1.570006597809484
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Energy: 1.8907443813462206
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Energy: 0.9249731127686994
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Energy: 0.929628323530894
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Energy: 1.2530170483059797
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Energy: 1.234535465082397
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Energy: 1.2474677856945147
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Energy: 1.2426987739983106
Energy: 1.2344157547195538
Energy: 0.9263603733620429
Energy: 1.1474681602570933
Energy: 1.484563063759527
Energy: 1.147468160256549
Energy: 0.9263603733614986
Energy: 1.1474681602587264
Energy: 0.929883914569771
Energy: 1.2222374198080848
Energy: 1.2600064895164103
Energy: 1.2222374198075403
Energy: 0.9298839145708598
Energy: 1.2222374198080848
Energy: 0.9310785415867913
Energy: 1.162761304622101
Energy: 1.5194581559093798
Energy: 1.162761304622101
Energy: 0.9310785415873356
Energy: 1.1627613046226457
Energy: 0.9321212538769361
Energy: 1.2450049635150064
Energy: 1.5385854461320192
Energy: 1.245004963515551
Energy: 0.9321212538769361
Energy: 1.245004963515551
Energy: 0.929000884208748
Energy: 0.9465377397352187
Energy: 1.8165546858929962
Energy: 0.9465377397346745
Energy: 0.929000884208748
Energy: 0.9465377397352187
Energy: 0.927772821843432
Energy: 1.2652929748307105
Energy: 1.5813317939223452
Energy: 1.265292974830166
Energy: 0.927772821843432
Energy: 1.2652929748307105
Energy: 0.9286018532248332
Energy: 0.9449793232111663
Energy: 1.7157719188365175
Energy: 0.9449793232100775
Energy: 0.9286018532232002
Energy: 0.9449793232111663
Energy: 0.9104084601964382
Energy: 1.2446512021543537
Energy: 1.5385924543600182
Energy: 1.244651202154898
Energy: 0.9104084601964382
Energy: 1.2446512021543537
Energy: 0.9292441442737144
Energy: 0.930066398004872
Energy: 1.6206100136331694
Energy: 0.9300663980054165
Energy: 0.9292441442737144
Energy: 0.9300663980043276
Energy: 0.9178982042459773
Energy: 1.2221446840608599
Energy: 1.26011909145094
Energy: 1.2221446840624928
Energy: 0.9178982042459773
Energy: 1.2221446840624928
Energy: 0.9328619172609883
Energy: 1.1436629974704797
Energy: 1.3966432918622649
Energy: 1.1436629974704797
Energy: 0.9328619172609883
Energy: 1.1436629974710242
Energy: 1.1836681575373758
Energy: 1.213500482953761
Energy: 1.247411886018998
Energy: 1.2135004829526719
Energy: 1.183668157536831
Energy: 1.2135004829526719

minimum gb energy = 0.9104084601964382 eV
minimum distance =  2.2680611637717 Angstroms
sigma value = 81


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

Energy: 1.6619572074326119
Energy: 1.4655750004823116
Energy: 1.2065284318092167
Energy: 1.4655750004823116
Energy: 1.6619572074326119
Energy: 1.4655750004823116
Energy: 1.9698416697400765
Energy: 1.0664925712399178
Energy: 1.0400680894236443
Energy: 1.066492571240665
Energy: 1.9698416697400765
Energy: 1.0664925712399178
Energy: 1.624120216169966
Energy: 1.4430266349204575
Energy: 1.3716762794933999
Energy: 1.4430266349204575
Energy: 1.6241202161707131
Energy: 1.4430266349204575
Energy: 1.5490233767530488
Energy: 1.136536715309626
Energy: 1.043986516463169
Energy: 1.1365367153103734
Energy: 1.5490233767523016
Energy: 1.136536715309626
Energy: 1.1919825088479836
Energy: 1.4185930518500258
Energy: 1.1742456954565699
Energy: 1.4185930518507732
Energy: 1.1919825088479836
Energy: 1.4185930518500258
Energy: 1.538444769846627
Energy: 1.3938266656450473
Energy: 1.1522102924609687
Energy: 1.3938266656443
Energy: 1.5384447698473744
Energy: 1.3938266656450473
Energy: 1.1640736392107598
Energy: 1.4128967703149347
Energy: 1.1466850625429394
Energy: 1.4128967703141875
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Energy: 1.0302830046886493
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Energy: 1.0374443133024205
Energy: 1.3447109367516403
Energy: 1.8430780387461922
Energy: 1.3447109367523875
Energy: 1.0374443133024205
Energy: 1.3447109367508934
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Energy: 1.4290282890073935
Energy: 1.6036896677668486
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Energy: 1.1370869193701154
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Energy: 1.1389242825897476
Energy: 1.3332584238306706
Energy: 1.65011467312036
Energy: 1.3332584238299237
Energy: 1.1389242825904944
Energy: 1.3332584238306706
Energy: 1.148995606391888
Energy: 1.4361519652672141
Energy: 1.1776044443872065
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Energy: 1.148995606391888
Energy: 1.4361519652672141
Energy: 1.1479986266541484
Energy: 1.3879677738029803
Energy: 1.3383231389819148
Energy: 1.3879677738022669
Energy: 1.1479986266541484
Energy: 1.3879677738029803
Energy: 1.5171168317315744
Energy: 1.4108612138203531
Energy: 1.152627303432964
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Energy: 1.548659332583765
Energy: 1.4182787803227563
Energy: 1.1609364731174154
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Energy: 1.548659332583765
Energy: 1.4182787803227563
Energy: 1.5917747422922779
Energy: 1.4262379114195989
Energy: 1.0442209979941808
Energy: 1.426237911420346
Energy: 1.591774742293025
Energy: 1.426237911420346
Energy: 1.5915431465788186
Energy: 1.4218596952831837
Energy: 1.2282946872105909
Energy: 1.4218596952831837
Energy: 1.5915431465788186
Energy: 1.4218596952839309
Energy: 1.947555977044147
Energy: 1.3552465270559788
Energy: 1.0444114777438496
Energy: 1.3552465270567258
Energy: 1.947555977044147
Energy: 1.3552465270567258
Energy: 1.9180945243679688
Energy: 1.4103983806443035
Energy: 1.0450432205059175
Energy: 1.4103983806450506
Energy: 1.9180945243769345
Energy: 1.4103983806443035
Energy: 1.5916757672313697
Energy: 1.431711508294388
Energy: 1.3185653700525064
Energy: 1.431711508293641
Energy: 1.5916757672313697
Energy: 1.431711508293641
Energy: 1.5915972975448809
Energy: 1.4372328939155177
Energy: 1.0448857275589387
Energy: 1.4372328939162646
Energy: 1.5915972975441337
Energy: 1.4372328939162646
Energy: 1.5168548936267092
Energy: 1.4152054860817733
Energy: 1.1590952181629046
Energy: 1.4152054860810261
Energy: 1.5168548936274564
Energy: 1.4152054860817733
Energy: 1.5173977674182033
Energy: 1.4116907927871536
Energy: 1.152001368305469
Energy: 1.4116907927879006
Energy: 1.5173977674189505
Energy: 1.4116907927879006
Energy: 1.1487934364271943
Energy: 1.3869438631659747
Energy: 1.5260097060717388
Energy: 1.3869438631652276
Energy: 1.1487934364279413
Energy: 1.3869438631644806
Energy: 1.147942878125614
Energy: 1.4291986782036823
Energy: 1.1795757669405207
Energy: 1.4291986782029351
Energy: 1.1479428781271084
Energy: 1.4291986782029351
Energy: 1.1386057209704168
Energy: 1.333258423831418
Energy: 1.6431413266821568
Energy: 1.3332584238306706
Energy: 1.1386057209704168
Energy: 1.333258423831418
Energy: 1.13727683928959
Energy: 1.4312248336503035
Energy: 1.5952368991273183
Energy: 1.4312248336510507
Energy: 1.13727683928959
Energy: 1.4312248336517979
Energy: 1.0369584544034334
Energy: 1.3844324890558193
Energy: 1.7237130123220636
Energy: 1.3844324890558193
Energy: 1.0369584544034334
Energy: 1.3844324890558193
Energy: 1.0412358026436372
Energy: 1.4428808173766903
Energy: 1.512146651590038
Energy: 1.442880817375943
Energy: 1.0412358026436372
Energy: 1.442880817375943
Energy: 1.05138809914465
Energy: 1.1287342782122654
Energy: 1.6764297703600006
Energy: 1.1287342782122654
Energy: 1.05138809914465
Energy: 1.1287342782137597
Energy: 1.1340558619474468
Energy: 1.431119413074901
Energy: 1.5952673921305776
Energy: 1.431119413074901
Energy: 1.1340558619474468
Energy: 1.431119413074901
Energy: 1.0465640711068296
Energy: 1.2264962931738246
Energy: 1.7035838902367841
Energy: 1.2264962931738246
Energy: 1.0465640711068296
Energy: 1.2264962931730776
Energy: 1.1260353267272456
Energy: 1.3799779460428756
Energy: 1.1792771432156617
Energy: 1.3799779460436226
Energy: 1.1260353267264982
Energy: 1.3799779460428756
Energy: 1.1654591092281235
Energy: 1.4152868227148725
Energy: 1.3596790890334265
Energy: 1.4152868227156197
Energy: 1.1654591092273765
Energy: 1.4152868227156197

minimum gb energy = 1.0302830046886493 eV
minimum distance =  2.1909156782046 Angstroms
sigma value = 43


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

Energy: 1.715012753387016
Energy: 1.5641212904446085
Energy: 1.5778586604804854
Energy: 1.5641212904446085
Energy: 1.7150127533860984
Energy: 1.5641212904446085
Energy: 1.8763788328521829
Energy: 1.1771889404465605
Energy: 1.1213725342591887
Energy: 1.1771889404465605
Energy: 1.8763788328521829
Energy: 1.1771889404465605
Energy: 1.1780011652533522
Energy: 1.541622423120659
Energy: 1.3302543687478943
Energy: 1.541622423120659
Energy: 1.1780011652533522
Energy: 1.5416224231197415
Energy: 1.6174835678422097
Energy: 1.1269906560810794
Energy: 1.1169016263301712
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Energy: 1.617483567840374
Energy: 1.1269906560819969
Energy: 1.1315062571143766
Energy: 1.53386039992379
Energy: 1.1025776631143172
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Energy: 1.53386039992379
Energy: 1.102424747961898
Energy: 1.5098308767889963
Energy: 1.1167382142014421
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Energy: 1.1073679595662893
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Energy: 1.3869727548336108
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Energy: 1.1073679595653714
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Energy: 1.1327667247046085
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Energy: 1.1620677446881227
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Energy: 1.1327667247046085
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Energy: 1.1235064209799737
Energy: 1.33511376945334
Energy: 1.8654302606772606
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Energy: 1.1235064209799737
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Energy: 1.5611827258954518
Energy: 1.6737268571027397
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Energy: 1.1151698767814977
Energy: 1.5611827258954518
Energy: 1.107868587287994
Energy: 1.5615281146418813
Energy: 1.7280679285103504
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Energy: 1.107868587287994
Energy: 1.5615281146418813
Energy: 1.1235557347178096
Energy: 1.5079838828300551
Energy: 1.1617004309391354
Energy: 1.5079838828309728
Energy: 1.1235557347178096
Energy: 1.5079838828309728
Energy: 1.1232655624303756
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Energy: 1.6043653098179664
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Energy: 1.1232655624303756
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Energy: 1.1087604029879785
Energy: 1.546220715511947
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Energy: 1.1087604029879785
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Energy: 1.1077506420828889
Energy: 1.5087694709027897
Energy: 1.118622806045952
Energy: 1.5087694709027897
Energy: 1.1077506420828889
Energy: 1.5087694709037074
Energy: 1.6246036831365618
Energy: 1.313943246415281
Energy: 1.1173751001777272
Energy: 1.313943246415281
Energy: 1.6246036831338087
Energy: 1.313943246415281
Energy: 1.6249995651049691
Energy: 1.537178847505493
Energy: 1.6026713840397424
Energy: 1.537178847505493
Energy: 1.6249995651049691
Energy: 1.537178847506411
Energy: 1.6748765250212838
Energy: 1.562285809617023
Energy: 1.1144406768838133
Energy: 1.562285809616105
Energy: 1.6748765250203659
Energy: 1.562285809617023
Energy: 1.6754086512492168
Energy: 1.5616230167555707
Energy: 1.129643380467758
Energy: 1.5616230167555707
Energy: 1.6754086512492168
Energy: 1.5616230167555707
Energy: 1.623951503514204
Energy: 1.5589098459127415
Energy: 1.1107193103215147
Energy: 1.5589098459118238
Energy: 1.6239515035123684
Energy: 1.5589098459127415
Energy: 1.5867268825587526
Energy: 1.5960347068783485
Energy: 1.1159777741895625
Energy: 1.5960347068792662
Energy: 1.58672688255967
Energy: 1.5960347068792662
Energy: 1.10825550529986
Energy: 1.5090709739537809
Energy: 1.1067332442479423
Energy: 1.5090709739537809
Energy: 1.10825550529986
Energy: 1.5090709739537809
Energy: 1.1079331458506556
Energy: 1.5474501878839289
Energy: 1.1110370247834502
Energy: 1.5474501878839289
Energy: 1.1079331458506556
Energy: 1.5474501878839289
Energy: 1.1183540920898725
Energy: 1.5345027026059257
Energy: 1.1082194621219863
Energy: 1.5345027026059257
Energy: 1.1183540920889545
Energy: 1.5345027026059257
Energy: 1.1224000685639268
Energy: 1.5965183876562081
Energy: 1.1513999102870112
Energy: 1.5965183876571256
Energy: 1.122400068563009
Energy: 1.5965183876562081
Energy: 1.108668953370305
Energy: 1.560348006210517
Energy: 1.7287267161582975
Energy: 1.5603480062114348
Energy: 1.108668953370305
Energy: 1.5603480062114348
Energy: 1.1150999885977115
Energy: 1.5625049091627
Energy: 1.6735313360996176
Energy: 1.5625049091627
Energy: 1.1150999885977115
Energy: 1.5625049091627
Energy: 1.1234764689418362
Energy: 1.542122379313715
Energy: 1.4436842142833384
Energy: 1.542122379313715
Energy: 1.1234764689418362
Energy: 1.542122379313715
Energy: 1.131976810162395
Energy: 1.535605421183729
Energy: 1.1509122562982421
Energy: 1.535605421183729
Energy: 1.131976810162395
Energy: 1.5356054211846468
Energy: 1.1081792773935197
Energy: 1.3315667134282754
Energy: 1.401262375393551
Energy: 1.3315667134282754
Energy: 1.1081792773935197
Energy: 1.3315667134291935
Energy: 1.103827486529687
Energy: 1.5526355916566694
Energy: 1.1099557563395728
Energy: 1.552635591655752
Energy: 1.103827486529687
Energy: 1.5526355916566694

minimum gb energy = 1.102424747961898 eV
minimum distance =  2.19546136286548 Angstroms
sigma value = 57


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

Energy: 1.3143182575674728
Energy: 1.711987952817142
Energy: 1.501653129830459
Energy: 1.711987952817142
Energy: 1.3143182575674728
Energy: 1.7119879528183304
Energy: 1.5670146492787744
Energy: 1.2798355775610766
Energy: 1.2079435064339699
Energy: 1.2798355775610766
Energy: 1.5670146492787744
Energy: 1.2798355775610766
Energy: 1.2360532598314842
Energy: 1.6988473528842547
Energy: 1.4245829291306058
Energy: 1.698847352885443
Energy: 1.2360532598314842
Energy: 1.6988473528842547
Energy: 1.2237190182345323
Energy: 1.1954629666449175
Energy: 1.2077071088072922
Energy: 1.1954629666449175
Energy: 1.2237190182345323
Energy: 1.1954629666449175
Energy: 1.2024626830622693
Energy: 1.224775296037944
Energy: 1.2038313658930586
Energy: 1.224775296037944
Energy: 1.2024626830622693
Energy: 1.2247752960367557
Energy: 1.4904411550010286
Energy: 1.6868061235020693
Energy: 1.2197934861150725
Energy: 1.6868061235020693
Energy: 1.4904411550010286
Energy: 1.6868061235020693
Energy: 1.193994656036665
Energy: 1.4668550874914457
Energy: 1.6221279752223914
Energy: 1.4668550874914457
Energy: 1.193994656036665
Energy: 1.4668550874914457
Energy: 1.206389270484474
Energy: 1.7387400420854808
Energy: 1.2728072582198404
Energy: 1.7387400420854808
Energy: 1.2063892704820978
Energy: 1.7387400420854808
Energy: 1.2028219678246062
Energy: 1.2809961334878506
Energy: 1.552956316124609
Energy: 1.2809961334878506
Energy: 1.2028219678246062
Energy: 1.2809961334878506
Energy: 1.2066647663996573
Energy: 1.71808313795714
Energy: 1.2198094649598332
Energy: 1.695592340583368
Energy: 1.2066647663996573
Energy: 1.71808313795714
Energy: 1.1941575925546963
Energy: 1.1952731534977528
Energy: 1.205082230766101
Energy: 1.1952731534977528
Energy: 1.1941575925546963
Energy: 1.1952731534989414
Energy: 1.2047506352519062
Energy: 1.4775867405422822
Energy: 1.207806019892362
Energy: 1.4775867405410938
Energy: 1.2047506352519062
Energy: 1.4775867405410938
Energy: 1.2029962087869268
Energy: 1.7178765981329793
Energy: 1.2506867645583188
Energy: 1.7178765981329793
Energy: 1.2029962087869268
Energy: 1.7178765981329793
Energy: 2.025628945125551
Energy: 1.467170836559034
Energy: 1.201690539862889
Energy: 1.7695228683210649
Energy: 2.025628945125551
Energy: 1.467170836559034
Energy: 1.9178466090089825
Energy: 1.7108985975398394
Energy: 1.2195985902683733
Energy: 1.7108985975410276
Energy: 1.917846609006606
Energy: 1.7108985975398394
Energy: 1.2045370101205897
Energy: 1.7407269356856343
Energy: 1.2059484182754834
Energy: 1.740726935684446
Energy: 1.2045370101205897
Energy: 1.7407269356856343
Energy: 1.2034058252689368
Energy: 1.4769097601294183
Energy: 1.1946572280736198
Energy: 1.4769097601294183
Energy: 1.2034058252689368
Energy: 1.4769097601294183
Energy: 1.1999921901406645
Energy: 1.5497246961395437
Energy: 1.2006409601374122
Energy: 1.7402476548639985
Energy: 1.1999921901394763
Energy: 1.5497246961383557
Energy: 1.1947025861463476
Energy: 1.4772299239227804
Energy: 1.203351274875404
Energy: 1.477229923921592
Energy: 1.1947025861463476
Energy: 1.477229923921592
Energy: 1.2060327377998712
Energy: 1.7402651237348454
Energy: 1.2045053824513619
Energy: 1.740265123733657
Energy: 1.2060327377998712
Energy: 1.740265123733657
Energy: 1.2186373990003467
Energy: 1.7108650993844605
Energy: 1.9179184440730013
Energy: 1.7108650993844605
Energy: 1.2186373989991583
Energy: 1.7108650993844605
Energy: 1.2018374334893163
Energy: 1.5118308379267102
Energy: 2.0255652805236215
Energy: 1.5025516598343518
Energy: 1.2018374334893163
Energy: 1.511830837925522
Energy: 1.2714430342109035
Energy: 1.7179058037566497
Energy: 1.2029658535885168
Energy: 1.7179058037566497
Energy: 1.271443034212092
Energy: 1.7179058037566497
Energy: 1.2077482900880652
Energy: 1.4772506337141678
Energy: 1.204926674160998
Energy: 1.4772506337153561
Energy: 1.2077482900880652
Energy: 1.4772506337129794

minimum gb energy = 1.193994656036665 eV
minimum distance =  2.22929036430754 Angstroms
sigma value = 17


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

Energy: 1.3400369348276064
Energy: 1.3395811460973008
Energy: 2.0078737838513607
Energy: 1.3395811460973008
Energy: 1.3400369348276064
Energy: 1.3395811460973008
Energy: 1.355321884030545
Energy: 1.281110649508327
Energy: 1.2833670015953953
Energy: 1.2811106495066464
Energy: 1.3553218840288646
Energy: 1.281110649508327
Energy: 1.2815139122101102
Energy: 1.2929359627706418
Energy: 1.5628276769482465
Energy: 1.2929359627706418
Energy: 1.2815139122101102
Energy: 1.2929359627706418
Energy: 1.322036649234769
Energy: 1.2820593969223093
Energy: 1.2808406679294164
Energy: 1.2820593969223093
Energy: 1.322036649234769
Energy: 1.2820593969223093
Energy: 1.2807279006474241
Energy: 1.2811832580812623
Energy: 1.343356793394408
Energy: 1.2811832580812623
Energy: 1.2807279006491048
Energy: 1.2811832580812623
Energy: 1.3028782302223547
Energy: 1.3398368978472561
Energy: 1.327537106483495
Energy: 1.3398368978472561
Energy: 1.3028782302223547
Energy: 1.3398368978472561
Energy: 1.281248195198719
Energy: 1.4441426875294672
Energy: 1.3867997284488573
Energy: 1.4441426875294672
Energy: 1.281248195198719
Energy: 1.4441426875294672
Energy: 1.280874190972517
Energy: 1.4583314363265505
Energy: 1.284222807072171
Energy: 1.4583314363265505
Energy: 1.280874190972517
Energy: 1.4583314363248698
Energy: 1.2808515750650684
Energy: 1.2811878734999902
Energy: 1.4542056452792302
Energy: 1.2811878734999902
Energy: 1.2808515750650684
Energy: 1.2811878734999902
Energy: 1.3272695167463304
Energy: 1.2922099696246039
Energy: 1.2834140764800097
Energy: 1.2922099696246039
Energy: 1.3272695167463304
Energy: 1.2922099696262843
Energy: 1.3291152547138418
Energy: 1.6794412317926815
Energy: 1.3043272110466988
Energy: 1.6794412317926815
Energy: 1.3291152547138418
Energy: 1.6794412317926815
Energy: 1.281096814644323
Energy: 1.2813537508541097
Energy: 1.3027317510050678
Energy: 1.2813537508541097
Energy: 1.281096814644323
Energy: 1.2813537508541097
Energy: 1.2811208330863324
Energy: 1.4607934115350665
Energy: 1.2807313580591053
Energy: 1.4607934115350665
Energy: 1.2811208330863324
Energy: 1.4607934115350665
Energy: 1.3131729857054926
Energy: 1.281559563465782
Energy: 1.2828427285545345
Energy: 1.281559563465782
Energy: 1.3131729857054926
Energy: 1.281559563465782
Energy: 1.280648525135418
Energy: 1.6785822854446468
Energy: 1.3275775323950771
Energy: 1.6785822854463273
Energy: 1.280648525135418
Energy: 1.6785822854446468
Energy: 1.2922699572060166
Energy: 1.6699916308541753
Energy: 1.330984921288208
Energy: 1.6699916308390506
Energy: 1.2922699572060166
Energy: 1.669991630874303
Energy: 1.30448022857281
Energy: 1.281474116609404
Energy: 1.2805821304646339
Energy: 1.2814741166110843
Energy: 1.30448022857281
Energy: 1.2814741166110843

minimum gb energy = 1.2805821304646339 eV
minimum distance =  2.26045981380908 Angstroms
sigma value = 17


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

Energy: 1.9049516719874644
Energy: 2.0634349378210466
Energy: 1.61106146001758
Energy: 2.0634349378216954
Energy: 1.9049516719868151
Energy: 2.0634349378216954
Energy: 1.6556437432968645
Energy: 1.3343388740696318
Energy: 1.3306017788902067
Energy: 1.3343388740696318
Energy: 1.6556437432962157
Energy: 1.3343388740696318
Energy: 1.3462960261250587
Energy: 1.4019572091085566
Energy: 1.552736765344041
Energy: 1.4019572091092058
Energy: 1.3462960261257075
Energy: 1.4019572091092058
Energy: 1.4591945528439656
Energy: 1.739384848963336
Energy: 1.4193470195787206
Energy: 1.7393848489555483
Energy: 1.4591945528452634
Energy: 1.7393848489542505
Energy: 1.3336527563851763
Energy: 1.35820289666976
Energy: 1.678048586484293
Energy: 1.35820289666976
Energy: 1.3336527563851763
Energy: 1.35820289666976
Energy: 1.425956129091175
Energy: 1.765787668938446
Energy: 1.447269882326285
Energy: 1.7657876689377967
Energy: 1.425956129091175
Energy: 1.765787668938446
Energy: 1.3284290301715147
Energy: 1.4099540783958877
Energy: 1.6723193833032595
Energy: 1.4099540783952387
Energy: 1.3284290301721637
Energy: 1.4099540783952387
Energy: 1.638610417579655
Energy: 1.5412425345533882
Energy: 1.330886916948672
Energy: 1.5412425345533882
Energy: 1.6386104175816019
Energy: 1.541242534551471
Energy: 1.4445887085223226
Energy: 1.8577920318439138
Energy: 1.352283930609472
Energy: 1.8577920318932044
Energy: 1.4445887085223226
Energy: 1.8577920317440344
Energy: 1.8548937156892986
Energy: 1.370358062017873
Energy: 1.327479345874036
Energy: 1.3823124997288794
Energy: 1.8548937156899477
Energy: 1.3575798796136833
Energy: 1.4161325043600428
Energy: 1.8335479140451747
Energy: 1.4102925048160886
Energy: 1.8335479140458235
Energy: 1.4161325043593938
Energy: 1.8335479140477704
Energy: 1.375110811153396
Energy: 1.8359694027808313
Energy: 1.3562147394808404
Energy: 1.8359694027795335
Energy: 1.375110811153396
Energy: 1.8359694027808313
Energy: 1.3334713844553923
Energy: 1.5407196488643287
Energy: 1.889028450678608
Energy: 1.5407196488675736
Energy: 1.3334713844547434
Energy: 1.5407196488669246
Energy: 1.3500047394579038
Energy: 1.754863301150281
Energy: 1.9027265314437183
Energy: 1.7548633011535253
Energy: 1.3500047394579038
Energy: 1.7548633011509296
Energy: 1.3411982256888826
Energy: 1.9333624099154727
Energy: 1.419337534434645
Energy: 1.9333624099161217
Energy: 1.3411982256901804
Energy: 1.9333624099161217
Energy: 1.4250831079342374
Energy: 1.9363437399909178
Energy: 1.3566161578096965
Energy: 1.9656274414485648
Energy: 1.4250831079342374
Energy: 1.9363437399909178
Energy: 1.4204509414849082
Energy: 1.8875907933656357
Energy: 1.3527509924675698
Energy: 1.8875907933656357
Energy: 1.4204509414855573
Energy: 1.8875907933643377
Energy: 1.9327097636766875
Energy: 1.6942075098375637
Energy: 1.3474230600322796
Energy: 1.6942075098388616
Energy: 1.9327097636766875
Energy: 1.6942075098362657
Energy: 1.7590007076119294
Energy: 1.7470743955724506
Energy: 1.3319363890081357
Energy: 1.7470743955724506
Energy: 1.7590007076119294
Energy: 1.7470743955724506
Energy: 1.3280904568142609
Energy: 1.6472546139228585
Energy: 1.3278971371445694
Energy: 1.6472546139222097
Energy: 1.3280904568149097
Energy: 1.7689664998896897
Energy: 1.331936698206152
Energy: 1.7470178999916448
Energy: 1.6472940928894404
Energy: 1.7470178999916448
Energy: 1.331936698206801
Energy: 1.7470178999916448
Energy: 1.3478095463735271
Energy: 1.6941730970935382
Energy: 1.9326080590069914
Energy: 1.6941730970954851
Energy: 1.3478095463722293
Energy: 1.6941730970922404
Energy: 1.3513466615086827
Energy: 1.8876708450043904
Energy: 1.4206829790414075
Energy: 1.8876708450043904
Energy: 1.3513466615099805
Energy: 1.8876708450037414
Energy: 1.3563858387629153
Energy: 1.9053824920675109
Energy: 1.4152181608158196
Energy: 1.9053824920675109
Energy: 1.3563858387629153
Energy: 1.9053824920668618
Energy: 1.410540116450601
Energy: 1.9333766920280993
Energy: 1.3315998538047178
Energy: 1.9333766920287483
Energy: 1.410540116449952
Energy: 1.9333766920280993
Energy: 1.9025955754820654
Energy: 1.75479597957228
Energy: 1.341751052683459
Energy: 1.754795979574227
Energy: 1.9025955754814163
Energy: 1.7547959795696844
Energy: 1.88898955386469
Energy: 1.5420171044904207
Energy: 1.333505358381068
Energy: 1.5420171044923676
Energy: 1.88898955386469
Energy: 1.5420171044930169
Energy: 1.356093144792044
Energy: 1.835851480553284
Energy: 1.3680570012909674
Energy: 1.8358514805539328
Energy: 1.3560931447926927
Energy: 1.8358514805545818
Energy: 1.41522694840948
Energy: 1.8675550857685468
Energy: 1.4160058125599908
Energy: 1.8675550857685468
Energy: 1.4152269484088311
Energy: 1.8675550857678977
Energy: 1.3272808434008816
Energy: 1.3575798796130343
Energy: 1.8555099841299538
Energy: 1.3575798796136833
Energy: 1.3272808434008816
Energy: 1.3575798796130343
Energy: 1.3521119358843443
Energy: 1.8585915447522976
Energy: 1.4445514868167386
Energy: 1.8585915447503505
Energy: 1.3521119358836955
Energy: 1.8585915447484038
Energy: 1.3307302391554392
Energy: 1.5416921801906414
Energy: 1.6384693899732927
Energy: 1.5416921801906414
Energy: 1.3307302391560882
Energy: 1.5416921801893435
Energy: 1.671910806755776
Energy: 1.409951007535472
Energy: 1.3284733142610083
Energy: 1.409951007536121
Energy: 1.671910806755776
Energy: 1.409951007535472
Energy: 1.4477098786883704
Energy: 1.7652093149718193
Energy: 1.4260827552134872
Energy: 1.7652093149705212
Energy: 1.4477098786877214
Energy: 1.7652093149737662
Energy: 1.6779536083702646
Energy: 1.3582028966710578
Energy: 1.3340256862824234
Energy: 1.3582028966717066
Energy: 1.6779536083709135
Energy: 1.3582028966710578
Energy: 1.4191381866619783
Energy: 1.7394588551752572
Energy: 1.4591074548789387
Energy: 1.7394588551746082
Energy: 1.4191381866613295
Energy: 1.7394588551759063
Energy: 1.5573041553152607
Energy: 1.4020505201070532
Energy: 1.3463197196871488
Energy: 1.4020505201070532
Energy: 1.5573041553159095
Energy: 1.4020505201070532
Energy: 1.330378970482402
Energy: 1.3341908614031994
Energy: 1.6555592398021033
Energy: 1.3341908614031994
Energy: 1.330378970482402
Energy: 1.3341908614031994
Energy: 1.402337327747918
Energy: 2.0634349378210466
Energy: 1.9049516719868151
Energy: 2.0634349378216954
Energy: 1.4023373274080155
Energy: 2.0634349378210466
Energy: 1.3306017788908557
Energy: 1.3343388740696318
Energy: 1.6556437432981623
Energy: 1.3343388740702806
Energy: 1.3306017788902067
Energy: 1.3343388740702806
Energy: 1.5527367653414452
Energy: 1.4019572091085566
Energy: 1.3462960261257075
Energy: 1.4019572091085566
Energy: 1.552736765344041
Energy: 1.4019572091085566
Energy: 1.4193470195787206
Energy: 1.7393848490015942
Energy: 1.4591945528426675
Energy: 1.7393848490048391
Energy: 1.4193470195787206
Energy: 1.7393848490022432
Energy: 1.6780485864829948
Energy: 1.3582028966710578
Energy: 1.3336527563858254
Energy: 1.3582028966704087
Energy: 1.6780485864829948
Energy: 1.3582028966710578

minimum gb energy = 1.3272808434008816 eV
minimum distance =  2.24096852522303 Angstroms
sigma value = 57


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

Energy: 1.4783026988254668
Energy: 1.9540489374991417
Energy: 1.8274318539142707
Energy: 1.9540489374991417
Energy: 1.4783026988254668
Energy: 1.9540489374991417
Energy: 1.4450125447138984
Energy: 1.3175222523022736
Energy: 1.3194460582437924
Energy: 1.3175222523022736
Energy: 1.4450125447138984
Energy: 1.3175222523022736
Energy: 1.3175209883751333
Energy: 1.4505367146359083
Energy: 1.6239577882132898
Energy: 1.4505367146369652
Energy: 1.3175209883751333
Energy: 1.4505367146348518
Energy: 1.5884562486154519
Energy: 1.4400376760962468
Energy: 1.436306561740267
Energy: 1.4400376760962468
Energy: 1.5884562486154519
Energy: 1.4400376760962468
Energy: 1.3218417813771812
Energy: 1.3657216031822428
Energy: 1.5017078212379
Energy: 1.3657216031822428
Energy: 1.3218417813771812
Energy: 1.365721603181186
Energy: 1.4518272376006736
Energy: 1.4397983866557793
Energy: 1.4364382077156685
Energy: 1.4397983866536659
Energy: 1.4518272375996168
Energy: 1.4397983866547226
Energy: 1.3198622389497083
Energy: 1.4476954835419686
Energy: 1.7508527927500055
Energy: 1.4476954835409122
Energy: 1.3198622389486516
Energy: 1.4476954835419686
Energy: 1.7852039213552693
Energy: 1.3741969310184432
Energy: 1.3169244424275808
Energy: 1.3741969310184432
Energy: 1.7852039213563262
Energy: 1.3741969310184432
Energy: 1.471989145572198
Energy: 1.9852846619071078
Energy: 1.3486650257298582
Energy: 1.985284661906051
Energy: 1.471989145572198
Energy: 1.9852846619071078
Energy: 1.4273951419407789
Energy: 1.3181544698606127
Energy: 1.3215725057529004
Energy: 1.318154469859556
Energy: 1.4273951419407789
Energy: 1.318154469859556
Energy: 1.319486349710836
Energy: 1.7190002083403808
Energy: 1.4347008633761085
Energy: 1.7190002083403808
Energy: 1.319486349710836
Energy: 1.7190002083414373
Energy: 1.4120527610148215
Energy: 1.4378675139175265
Energy: 1.4346237094016825
Energy: 1.4378675139175265
Energy: 1.4120527610137648
Energy: 1.4378675139175265
Energy: 1.324812360022783
Energy: 1.6521446259695112
Energy: 1.434157916706724
Energy: 1.6521446259716246
Energy: 1.324812360022783
Energy: 1.6521446259695112
Energy: 1.4771157914054416
Energy: 1.5280682342494347
Energy: 1.4337946992581447
Energy: 1.5280682342494347
Energy: 1.4771157914054416
Energy: 1.528068234248378
Energy: 1.3269306247871124
Energy: 1.448089563577111
Energy: 1.3483189509086573
Energy: 1.448089563577111
Energy: 1.3269306247871124
Energy: 1.4480895635760542
Energy: 1.7908020887245177
Energy: 1.793751105636262
Energy: 1.3212756197936382
Energy: 1.7937511056352051
Energy: 1.7908020887245177
Energy: 1.793751105636262
Energy: 1.474899836605129
Energy: 1.7679145222730797
Energy: 1.3331225236105875
Energy: 1.7679145222699575
Energy: 1.474899836605129
Energy: 1.7679145222699575
Energy: 1.4769552788581473
Energy: 1.449505035417713
Energy: 1.330160902187044
Energy: 1.4495050354166563
Energy: 1.4769552788592037
Energy: 1.4495050354166563
Energy: 1.3264053524408683
Energy: 1.7240592900263796
Energy: 1.4427056671328622
Energy: 1.7240592900284928
Energy: 1.3264053524408683
Energy: 1.7240592900274363
Energy: 1.4795574114907264
Energy: 1.6645587249858882
Energy: 1.439463700297932
Energy: 1.664558724986945
Energy: 1.4795574114875567
Energy: 1.6645587249858882
Energy: 1.3320843297253415
Energy: 1.6610818360051463
Energy: 1.4424633635433048
Energy: 1.6610818360040893
Energy: 1.3320843297242846
Energy: 1.6610818360062027
Energy: 1.3322313164505875
Energy: 1.721258251074469
Energy: 1.4403038959201402
Energy: 1.721258251074469
Energy: 1.3322313164505875
Energy: 1.721258251074469
Energy: 1.3364079158395583
Energy: 1.4480265411227713
Energy: 1.3406968345253452
Energy: 1.4480265411227713
Energy: 1.3364079158385016
Energy: 1.448026541123828
Energy: 1.478397795020426
Energy: 1.7481558198966058
Energy: 1.3299527897372667
Energy: 1.7481558198976623
Energy: 1.478397795020426
Energy: 1.7481558198976623
Energy: 1.4710740988976418
Energy: 1.7490247528979315
Energy: 1.3241862739997778
Energy: 1.749024752895818
Energy: 1.4710740988965854
Energy: 1.7490247528968745
Energy: 1.3331410135934896
Energy: 1.4477024321195906
Energy: 1.3463436191371858
Energy: 1.4477024321206473
Energy: 1.3331410135934896
Energy: 1.4477024321206473
Energy: 1.3364690426424934
Energy: 1.725813463523939
Energy: 1.4364564398665578
Energy: 1.725813463523939
Energy: 1.3364690426435502
Energy: 1.725813463523939

minimum gb energy = 1.3169244424275808 eV
minimum distance =  2.19403250347996 Angstroms
sigma value = 43


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

Energy: 1.7127362153949937
Energy: 2.04496009410633
Energy: 1.7417313662240799
Energy: 2.04496009410633
Energy: 1.7127362153949937
Energy: 2.04496009410556
Energy: 1.507109817753532
Energy: 1.4062419010239573
Energy: 1.385246909380617
Energy: 1.4062419010239573
Energy: 1.5071098177543016
Energy: 1.4062419010239573
Energy: 1.4115785943570518
Energy: 1.5863018544616905
Energy: 1.7430047072568657
Energy: 1.586301854464
Energy: 1.411578594356282
Energy: 1.5863018544647698
Energy: 1.6509392026736387
Energy: 1.9084467200541384
Energy: 1.659174757711719
Energy: 1.9084467200533684
Energy: 1.6509392026736387
Energy: 1.9084467200541384
Energy: 1.3774428770572065
Energy: 1.4062551121790317
Energy: 1.4960543975146305
Energy: 1.4062551121782616
Energy: 1.3774428770572065
Energy: 1.4062551121790317
Energy: 1.6732399961469182
Energy: 1.581128778253431
Energy: 1.4444179474287526
Energy: 1.5811287782549706
Energy: 1.6732399961469182
Energy: 1.5811287782549706
Energy: 1.4491539295688698
Energy: 1.5804865622111552
Energy: 1.6845905814491202
Energy: 1.5804865622103854
Energy: 1.4491539295681
Energy: 1.5804865622103854
Energy: 1.5375840414520001
Energy: 1.4220370313273623
Energy: 1.3792812332398148
Energy: 1.4220370313273623
Energy: 1.5375840414504605
Energy: 1.4220370313273623
Energy: 1.652462969737871
Energy: 1.9154959611762543
Energy: 1.6263883597588118
Energy: 1.9154959611762543
Energy: 1.652462969737871
Energy: 1.9154959611747147
Energy: 1.6527098725337823
Energy: 1.5853146218212415
Energy: 1.410468826731079
Energy: 1.5853146218227814
Energy: 1.6527098725330125
Energy: 1.5853146218220113
Energy: 1.3910134934362635
Energy: 1.4469518992198913
Energy: 1.7756248921129254
Energy: 1.4469518992198913
Energy: 1.3910134934362635
Energy: 1.4469518992198913
Energy: 1.4031997413454305
Energy: 1.7533742887517962
Energy: 1.5542114083576468
Energy: 1.7533742890526782
Energy: 1.4031997413454305
Energy: 1.7533742894928734
Energy: 1.392242115262837
Energy: 1.4068067686321695
Energy: 1.6252513792277965
Energy: 1.4068067686321695
Energy: 1.392242115262837
Energy: 1.4068067686313994
Energy: 1.6487030807464762
Energy: 1.7361685559198283
Energy: 1.4106935987753078
Energy: 1.7361685559221383
Energy: 1.6487030807457062
Energy: 1.7361685559213682
Energy: 1.6543719590800394
Energy: 1.9926768021572117
Energy: 1.3763372191815741
Energy: 1.9926768021579813
Energy: 1.6543719590800394
Energy: 1.9926768021572117
Energy: 1.6193138815762151
Energy: 1.7142242433390067
Energy: 1.3856304202018082
Energy: 1.7142242433390067
Energy: 1.6193138815762151
Energy: 1.7142242433390067
Energy: 1.4557901807281846
Energy: 1.9116172630305641
Energy: 1.6190032576832303
Energy: 1.9116172630321038
Energy: 1.4557901807289546
Energy: 1.911617263031334
Energy: 1.3828647735805049
Energy: 1.4515030072850714
Energy: 1.4590636508576227
Energy: 1.4515030072858413
Energy: 1.3828647735805049
Energy: 1.451503007287381
Energy: 1.3851278810856793
Energy: 1.5630945807349015
Energy: 1.6547841106698353
Energy: 1.5630945807356713
Energy: 1.3851278810856793
Energy: 1.5630945807356713
Energy: 1.4128631838902077
Energy: 1.7703967503926443
Energy: 1.6559933903014699
Energy: 1.7703967503918743
Energy: 1.4128631838902077
Energy: 1.7703967503918743
Energy: 1.4106187118783566
Energy: 1.6851676764110355
Energy: 1.4083396940568522
Energy: 1.6851676764110355
Energy: 1.4106187118791265
Energy: 1.6851676764110355
Energy: 2.1782296054770183
Energy: 1.63975215657168
Energy: 1.3898424243259817
Energy: 1.6397521565724498
Energy: 2.1782296054770183
Energy: 1.6397521565724498
Energy: 1.9511876162949688
Energy: 1.702419761798103
Energy: 1.4132436915581095
Energy: 1.702419761798103
Energy: 1.9511876162957387
Energy: 1.7024197617973333
Energy: 1.41252544933269
Energy: 1.6986963826255952
Energy: 1.4058981090796054
Energy: 1.6986963826255952
Energy: 1.41252544933269
Energy: 1.6986963826232857
Energy: 1.4098619873916463
Energy: 1.8782084722240284
Energy: 1.654750077067771
Energy: 1.878208472225568
Energy: 1.4098619873908764
Energy: 1.8782084722247985
Energy: 1.385094520771985
Energy: 1.6997866525818854
Energy: 1.669720115046509
Energy: 1.6997866525818854
Energy: 1.385094520771985
Energy: 1.6997866525803458
Energy: 1.3831151943537225
Energy: 1.6364359901330934
Energy: 1.6339147938503154
Energy: 1.6364359901338634
Energy: 1.3831151943537225
Energy: 1.6364359901338634
Energy: 1.6279584060175611
Energy: 1.9362461015105696
Energy: 1.6270338396061523
Energy: 1.9362461015113395
Energy: 1.6279584060160215
Energy: 1.9362461015121095
Energy: 1.6282875928243272
Energy: 1.5671849595171663
Energy: 1.3823205857811631
Energy: 1.567184959518706
Energy: 1.6282875928220177
Energy: 1.5671849595140868
Energy: 1.6530742697521135
Energy: 1.7451216732292185
Energy: 1.3903540042267553
Energy: 1.7451216732292185
Energy: 1.6530742697521135
Energy: 1.7451216732299883
Energy: 1.6690536870415664
Energy: 1.7881325662285343
Energy: 1.4123515886710756
Energy: 1.7881325662285343
Energy: 1.669053687042336
Energy: 1.7881325662277643
Energy: 1.4011639327190073
Energy: 1.679142311069492
Energy: 1.4103033744665343
Energy: 1.679142311070262
Energy: 1.4011639327182375
Energy: 1.679142311070262
Energy: 1.406703346229067
Energy: 1.8420460850927518
Energy: 1.819257089802381
Energy: 1.8420460850919822
Energy: 1.4067033462282972
Energy: 1.8420460850927518
Energy: 1.387519401100322
Energy: 1.6120057233959197
Energy: 2.0821444641934685
Energy: 1.6120057233959197
Energy: 1.387519401101092
Energy: 1.6120057233959197
Energy: 1.3962741305336932
Energy: 1.6854706980364342
Energy: 1.4122696379815092
Energy: 1.6854706980364342
Energy: 1.3962741305329236
Energy: 1.685470698037204
Energy: 1.657015411890278
Energy: 1.8960679653727919
Energy: 1.4104107692870835
Energy: 1.8960679653720218
Energy: 1.657015411889508
Energy: 1.8960679653735617

minimum gb energy = 1.3763372191815741 eV
minimum distance =  2.17267444693452 Angstroms
sigma value = 81


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

Energy: 1.3777694026846896
Energy: 1.378108737937312
Energy: 2.2015957298929707
Energy: 1.3781087379364443
Energy: 1.3777694026838538
Energy: 1.3781087379367334
Energy: 1.7507061022788053
Energy: 1.3833182627021143
Energy: 1.377307959672101
Energy: 1.3833182627024034
Energy: 1.7507061022782586
Energy: 1.3833182627021143
Energy: 1.3772991266843533
Energy: 1.3779248315392172
Energy: 1.7507614360843484
Energy: 1.3779248315389279
Energy: 1.3772991266848997
Energy: 1.3779248315392172
Energy: 1.5296866188194347
Energy: 1.378108737937023
Energy: 1.377769402684111
Energy: 1.3781087379364443
Energy: 1.5296866188200133
Energy: 1.3781087379364443
Energy: 1.37730795967239
Energy: 1.3833182627024034
Energy: 1.7507061022785158
Energy: 1.3833182627018248
Energy: 1.377307959672101
Energy: 1.3833182627021143
Energy: 1.7507614360835126
Energy: 1.3779248315386385
Energy: 1.3772991266848997
Energy: 1.3779248315392172
Energy: 1.750761436084091
Energy: 1.3779248315389279
Energy: 1.377769402684979
Energy: 1.3781087379361547
Energy: 1.5296866188180205
Energy: 1.3781087379367334
Energy: 1.377769402684979
Energy: 1.3781087379361547
Energy: 1.750706102279673
Energy: 1.3833182627024034
Energy: 1.377307959672101
Energy: 1.383318262702693
Energy: 1.7507061022785158
Energy: 1.3833182627024034
Energy: 1.3772991266846104
Energy: 1.3779248315397634
Energy: 1.750761436084091
Energy: 1.3779248315389279
Energy: 1.3772991266848997
Energy: 1.3779248315389279
Energy: 1.5296866188168954
Energy: 1.3781087379367334
Energy: 1.3777694026838538
Energy: 1.3781087379367334
Energy: 1.5296866188168954
Energy: 1.378108737937023

minimum gb energy = 1.3772991266843533 eV
minimum distance =  2.28843921326981 Angstroms
sigma value = 3


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

Energy: 1.860926407319722
Energy: 1.8547071119505028
Energy: 1.970810542091385
Energy: 1.8547071119496563
Energy: 1.8609264073188756
Energy: 1.8547071119513494
Energy: 1.7595518998444333
Energy: 1.4387358191625668
Energy: 1.3797657066968037
Energy: 1.4387358191625668
Energy: 1.7595518998435866
Energy: 1.4387358191625668
Energy: 1.3607944266707896
Energy: 1.3601555444097388
Energy: 1.7667633949347734
Energy: 1.3601555444088924
Energy: 1.3607944266707896
Energy: 1.3601555444088924
Energy: 1.8949985254502164
Energy: 1.8258773413572753
Energy: 1.4207935226495625
Energy: 1.8258773413572753
Energy: 1.8949985254485235
Energy: 1.8258773413572753
Energy: 1.3895278005872231
Energy: 1.4279589001312443
Energy: 1.7704211952095994
Energy: 1.4279589001303978
Energy: 1.3895278005872231
Energy: 1.4279589001303978
Energy: 1.609714432802431
Energy: 1.422059104573809
Energy: 1.3756949851365876
Energy: 1.4220591045746553
Energy: 1.6097144328032773
Energy: 1.422059104573809
Energy: 1.3895705778904033
Energy: 1.427537272244673
Energy: 1.5726210242760197
Energy: 1.427537272244673
Energy: 1.3895705778895566
Energy: 1.427537272244673
Energy: 1.3851919088717024
Energy: 1.8279491589689472
Energy: 1.4260394575638458
Energy: 1.8279491589689472
Energy: 1.385191908870856
Energy: 1.8279491589689472
Energy: 1.3614524498800638
Energy: 1.6814389857875376
Energy: 1.7670837534784067
Energy: 1.6814389857875376
Energy: 1.3614524498792173
Energy: 1.6814389857875376
Energy: 1.3616285063404698
Energy: 1.4385446074826718
Energy: 1.378856453563611
Energy: 1.4385446074826718
Energy: 1.3616285063404698
Energy: 1.4385446074818253
Energy: 1.840047647424187
Energy: 1.7388238149325426
Energy: 1.4060519914474734
Energy: 1.738823814933389
Energy: 1.8400476474250331
Energy: 1.7388238149325426
Energy: 1.839661736408153
Energy: 1.500799075441864
Energy: 1.376558444968479
Energy: 1.5007990754427107
Energy: 1.839661736408153
Energy: 1.500799075441864
Energy: 1.3619403012795255
Energy: 1.4908027439840208
Energy: 1.3769511770656944
Energy: 1.4908027439840208
Energy: 1.3619403012795255
Energy: 1.4908027439840208
Energy: 1.3611586137002956
Energy: 1.746479634081175
Energy: 1.4194399538947542
Energy: 1.746479634081175
Energy: 1.3611586136986025
Energy: 1.746479634081175
Energy: 1.3898676255761533
Energy: 1.488555505476095
Energy: 1.4141070397326767
Energy: 1.488555505476095
Energy: 1.3898676255778464
Energy: 1.4885555054769417
Energy: 1.3899895941659208
Energy: 1.7181638248040294
Energy: 1.3757614412463732
Energy: 1.718163824805722
Energy: 1.3899895941659208
Energy: 1.7181638248040294
Energy: 1.3898345217034669
Energy: 1.7183675007065091
Energy: 1.377750717888341
Energy: 1.7183675007065091
Energy: 1.3898345217034669
Energy: 1.7183675007073556
Energy: 1.390034829100796
Energy: 1.5156163287384152
Energy: 1.4405708851952819
Energy: 1.5156163287401085
Energy: 1.3900348290999494
Energy: 1.5156163287401085
Energy: 1.361431195022664
Energy: 1.7628411654738119
Energy: 1.4192875687367343
Energy: 1.7628411654738119
Energy: 1.3614311950235105
Energy: 1.7628411654729652
Energy: 1.361231147043494
Energy: 1.6639841144138001
Energy: 1.3769976910258301
Energy: 1.6639841144112608
Energy: 1.361231147043494
Energy: 1.6639841144146468
Energy: 1.8393158994879455
Energy: 1.6812373972969876
Energy: 1.3767377449607179
Energy: 1.6812373972969876
Energy: 1.8393158994879455
Energy: 1.6812373972969876
Energy: 1.8426263306900992
Energy: 1.6844401784604872
Energy: 1.4067886845060318
Energy: 1.6844401784596406
Energy: 1.8426263306900992
Energy: 1.6844401784604872
Energy: 1.361136864888511
Energy: 1.4387909483552155
Energy: 1.378640933463697
Energy: 1.4387909483552155
Energy: 1.361136864888511
Energy: 1.4387909483552155
Energy: 1.361259748542562
Energy: 1.6812550148501306
Energy: 1.770954881209655
Energy: 1.681255014849284
Energy: 1.3612597485417157
Energy: 1.681255014849284
Energy: 1.385168534418342
Energy: 1.515762264744217
Energy: 1.4191240159925842
Energy: 1.5157622647467566
Energy: 1.385168534417495
Energy: 1.5157622647450637
Energy: 1.389394687435268
Energy: 1.9001798890377597
Energy: 1.420630271122183
Energy: 1.9001798890369133
Energy: 1.389394687436115
Energy: 1.9001798890377597
Energy: 1.384929798513256
Energy: 1.7250769161166863
Energy: 1.37571285093648
Energy: 1.7250769161166863
Energy: 1.3849297985141027
Energy: 1.7250769161166863
Energy: 1.3893111125775521
Energy: 1.627160168068197
Energy: 1.7711472754270512
Energy: 1.627160168068197
Energy: 1.3893111125767055
Energy: 1.627160168068197
Energy: 1.4634268010356382
Energy: 1.8384546654650546
Energy: 1.420302353062273
Energy: 1.8384546654659013
Energy: 1.4634268010356382
Energy: 1.8384546654675942
Energy: 1.3593512072793315
Energy: 1.361839485552033
Energy: 1.564795282399396
Energy: 1.361839485552033
Energy: 1.3593512072793315
Energy: 1.361839485552033
Energy: 1.7595079588452172
Energy: 1.438342651573078
Energy: 1.378677318168722
Energy: 1.438342651573078
Energy: 1.7595079588460636
Energy: 1.438342651573078
Energy: 1.8159267897244595
Energy: 1.867600848573321
Energy: 1.4062090809454948
Energy: 1.8676008485716282
Energy: 1.8159267897244595
Energy: 1.8676008485724747
Energy: 1.7595336041467837
Energy: 1.4401478086373842
Energy: 1.3786108940398847
Energy: 1.4401478086365378
Energy: 1.7595336041467837
Energy: 1.4401478086365378

minimum gb energy = 1.3593512072793315 eV
minimum distance =  2.22024995426207 Angstroms
sigma value = 67


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

Energy: 1.393971795143343
Energy: 1.9208751722396726
Energy: 1.9190909255994393
Energy: 1.920875172240879
Energy: 1.393971795143343
Energy: 1.9208751722396726
Energy: 1.9683012904195452
Energy: 1.3542984615640885
Energy: 1.3316145534819035
Energy: 1.3542984615652949
Energy: 1.9683012904195452
Energy: 1.3542984615652949
Energy: 1.3328708430642415
Energy: 1.4154182759303893
Energy: 1.5802160662944462
Energy: 1.4154182759303893
Energy: 1.3328708430642415
Energy: 1.4154182759315952
Energy: 1.885237125446402
Energy: 1.9811051062444414
Energy: 1.3383338783387473
Energy: 1.9811051062444414
Energy: 1.885237125446402
Energy: 1.9811051062444414
Energy: 1.3369897673934077
Energy: 1.9527026490377841
Energy: 1.8233069730787101
Energy: 1.952702649035372
Energy: 1.3369897673934077
Energy: 1.9527026490389905
Energy: 1.328959887722068
Energy: 1.739709950517352
Energy: 1.3328123672542873
Energy: 1.739709950516146
Energy: 1.3289598877232742
Energy: 1.739709950517352
Energy: 1.3329820632379097
Energy: 1.3544516034661425
Energy: 1.3319129939003729
Energy: 1.3544516034661425
Energy: 1.3329820632379097
Energy: 1.3544516034661425
Energy: 1.3236347866079539
Energy: 1.7065418022565275
Energy: 1.8479585210878537
Energy: 1.7065418022565275
Energy: 1.3236347866079539
Energy: 1.7065418022565275
Energy: 1.3258924069021596
Energy: 1.712844906207745
Energy: 1.826086466365682
Energy: 1.712844906207745
Energy: 1.3258924069021596
Energy: 1.712844906207745
Energy: 1.3294526934297317
Energy: 1.343200345132602
Energy: 1.3239601764486995
Energy: 1.343200345132602
Energy: 1.329452693430938
Energy: 1.343200345132602
Energy: 1.3362527188311437
Energy: 1.596015469871424
Energy: 1.3390055640964094
Energy: 1.5960154698690117
Energy: 1.3362527188347622
Energy: 1.596015469871424
Energy: 1.336926015773231
Energy: 1.4127004590267958
Energy: 1.3365279923251905
Energy: 1.4127004590267958
Energy: 1.3369260157744374
Energy: 1.4127004590267958
Energy: 1.3388533966563505
Energy: 1.5962381577035303
Energy: 1.33629518763129
Energy: 1.596238157702324
Energy: 1.3388533966575566
Energy: 1.596238157702324
Energy: 1.3281404695375134
Energy: 1.3431614406739114
Energy: 1.3288440473009806
Energy: 1.3431614406739114
Energy: 1.3281404695363075
Energy: 1.343161440672705
Energy: 1.8259604389946684
Energy: 1.7129518726290025
Energy: 1.3258806573703357
Energy: 1.7129518726290025
Energy: 1.825960438993462
Energy: 1.7129518726290025
Energy: 1.8480525760626254
Energy: 1.7064972142286685
Energy: 1.3237588504910125
Energy: 1.7064972142286685
Energy: 1.8480525760638318
Energy: 1.7064972142286685
Energy: 1.3319620716275
Energy: 1.3544406439624623
Energy: 1.3333342107490498
Energy: 1.3544406439624623
Energy: 1.3319620716287062
Energy: 1.3544406439624623
Energy: 1.3329211341164027
Energy: 1.7396090584668262
Energy: 1.3287766878112728
Energy: 1.7396090584656203
Energy: 1.3329211341164027
Energy: 1.7396090584668262
Energy: 1.8243229505437335
Energy: 1.9524572453330744
Energy: 1.3367892233174172
Energy: 1.9524572453318683
Energy: 1.8243229505449396
Energy: 1.9524572453246312
Energy: 1.3384852476524618
Energy: 1.9814608324512386
Energy: 1.8851967899991082
Energy: 1.9814608324500327
Energy: 1.338485247653668
Energy: 1.9814608324512386
Energy: 1.5820932545529078
Energy: 1.4154182759291831
Energy: 1.3304853710975626
Energy: 1.4154182759303893
Energy: 1.582093254554114
Energy: 1.4154182759303893
Energy: 1.3420492312143693
Energy: 1.3540622833101987
Energy: 1.9682175885884652
Energy: 1.3540622833101987
Energy: 1.3420492312155754
Energy: 1.3540622833089926
Energy: 1.6174051710397055
Energy: 1.920875172240879
Energy: 1.393971795143343
Energy: 1.9208751722396726
Energy: 1.6174051710397055
Energy: 1.9208751722372606

minimum gb energy = 1.3236347866079539 eV
minimum distance =  2.20232016674229 Angstroms
sigma value = 33


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

Energy: 1.6793325456667914
Energy: 2.026118459993249
Energy: 1.975438108455721
Energy: 2.026118459992484
Energy: 1.6793325456667914
Energy: 2.0261184599909536
Energy: 1.9585927009696393
Energy: 1.6388384023682376
Energy: 1.268464611898418
Energy: 1.6388384023682376
Energy: 1.9585927009704047
Energy: 1.6388384023682376
Energy: 1.265551622458618
Energy: 1.316446651750951
Energy: 1.7931401709263417
Energy: 1.316446651750186
Energy: 1.265551622458618
Energy: 1.3164466517494207
Energy: 1.322581864374262
Energy: 1.6237351029224132
Energy: 1.28385618174725
Energy: 1.6237351029239435
Energy: 1.322581864373497
Energy: 1.6237351029224132
Energy: 1.617170880981066
Energy: 1.817468629159176
Energy: 1.536749032285229
Energy: 1.8174686291584106
Energy: 1.617170880981066
Energy: 1.8174686291584106
Energy: 1.593427738712032
Energy: 1.4704280695920107
Energy: 1.266137093152693
Energy: 1.3689065828141385
Energy: 1.5934277387112665
Energy: 1.470428069593541
Energy: 1.2665372749755495
Energy: 1.2680777348622945
Energy: 1.284314820952554
Energy: 1.2680777348630596
Energy: 1.2665372749755495
Energy: 1.2680777348638248
Energy: 1.266515581727961
Energy: 1.5582338564312954
Energy: 1.6029612819192105
Energy: 1.5582338564335907
Energy: 1.266515581727961
Energy: 1.5582338564351212
Energy: 1.5372010904789972
Energy: 1.5399548434682648
Energy: 1.5999481955692436
Energy: 1.5399548434682648
Energy: 1.5372010904789972
Energy: 1.5399548434697954
Energy: 1.2824229425171216
Energy: 1.5497654970989108
Energy: 1.27833482442898
Energy: 1.5648917628503038
Energy: 1.2824229425171216
Energy: 1.5497654970973802
Energy: 1.2808041448900103
Energy: 1.6267554760941398
Energy: 1.2693279221282507
Energy: 1.6267554760941398
Energy: 1.2808041448900103
Energy: 1.6267554760941398
Energy: 1.2804787655939758
Energy: 1.3497137451776895
Energy: 1.905366203741309
Energy: 1.3497137451776895
Energy: 1.2804787655939758
Energy: 1.3497137451738637
Energy: 1.5516431356653073
Energy: 1.7126532564908152
Energy: 1.6603233000931084
Energy: 1.7126532564938757
Energy: 1.5516431356653073
Energy: 1.7126532564908152
Energy: 1.2671458744494284
Energy: 1.5709342951140097
Energy: 1.2683267179907964
Energy: 1.570934295111714
Energy: 1.2671458744486632
Energy: 1.5709342951124794
Energy: 1.5366255432087899
Energy: 1.3194862038138537
Energy: 1.2654287579056707
Energy: 1.3194862038130886
Energy: 1.5366255432080247
Energy: 1.3194862038130886
Energy: 1.283777977897056
Energy: 1.62359824323657
Energy: 1.9699155095139262
Energy: 1.62359824323657
Energy: 1.2837779778978213
Energy: 1.6235982432342744
Energy: 1.8230341429108423
Energy: 2.014862594395036
Energy: 1.641346653328594
Energy: 2.014862594396566
Energy: 1.8230341429108423
Energy: 2.014862594396566
Energy: 1.2677002077200374
Energy: 1.2681667634422995
Energy: 1.7822312364203896
Energy: 1.268166763440769
Energy: 1.2677002077208026
Energy: 1.2681667634430647
Energy: 1.5695940334094092
Energy: 1.2952272989268308
Energy: 1.2688955192988338
Energy: 1.2952272989275957
Energy: 1.5695940334078788
Energy: 1.2952272989268308
Energy: 1.615372496521275
Energy: 1.7131564511905304
Energy: 1.2726405248040011
Energy: 1.7131564511905304
Energy: 1.6153724965220402
Energy: 1.7131564511920607
Energy: 1.9034074044023335
Energy: 1.6324341941295777
Energy: 1.2827373535057875
Energy: 1.6324341941295777
Energy: 1.9034074044015685
Energy: 1.6324341941288123
Energy: 1.2782947408335488
Energy: 1.5601831192329567
Energy: 1.5368742259790158
Energy: 1.5601831192321916
Energy: 1.278294740834314
Energy: 1.5601831192337219
Energy: 1.2740561379509188
Energy: 1.627586917980122
Energy: 1.2675631186053256
Energy: 1.627586917980122
Energy: 1.2740561379516837
Energy: 1.627586917980122
Energy: 1.6567159474902808
Energy: 1.7670144716867826
Energy: 1.2806558013851992
Energy: 1.7670144716883127
Energy: 1.6567159474895155
Energy: 1.768306459459415
Energy: 1.9231530204026377
Energy: 1.348099045796112
Energy: 1.2805558117109328
Energy: 1.348099045796112
Energy: 1.923153020403403
Energy: 1.348099045796112
Energy: 1.2670109683588207
Energy: 1.648762056058759
Energy: 1.280743480838839
Energy: 1.648762056058759
Energy: 1.2670109683588207
Energy: 1.648762056058759
Energy: 1.2782241597960486
Energy: 1.573041892703065
Energy: 1.573113490826284
Energy: 1.5730418927022995
Energy: 1.2782241597960486
Energy: 1.573041892703065
Energy: 1.5980446839743474
Energy: 1.5123129229316106
Energy: 1.2823639298121776
Energy: 1.5123129229308456
Energy: 1.5980446839728173
Energy: 1.5123129229285501
Energy: 1.616758472632857
Energy: 1.6034119253727643
Energy: 1.2717856929812403
Energy: 1.6034119253704688
Energy: 1.616758472632857
Energy: 1.6034119253719994
Energy: 1.271521443794179
Energy: 1.2681162218044064
Energy: 1.2674232697456853
Energy: 1.2681162218044064
Energy: 1.2715214437949445
Energy: 1.2681162218044064
Energy: 1.266322799840882
Energy: 1.4695629161723116
Energy: 1.876949422423234
Energy: 1.4695629161715462
Energy: 1.266322799840882
Energy: 1.4695629161730765
Energy: 1.5366602088698604
Energy: 2.020576528497727
Energy: 1.6152869095894888
Energy: 2.0205765284969623
Energy: 1.536660208867565
Energy: 2.0205765284969623
Energy: 1.2822934175305187
Energy: 1.6236582791917462
Energy: 1.6806001817087175
Energy: 1.623658279190981
Energy: 1.2822934175312835
Energy: 1.6236582791902159
Energy: 1.9232672934379247
Energy: 1.3157858306883348
Energy: 1.265738731231443
Energy: 1.3157858306890995
Energy: 1.9232672934371595
Energy: 1.3157858306868042
Energy: 1.2652330966123257
Energy: 1.638487014365297
Energy: 1.7035754752960295
Energy: 1.6384870143645318
Energy: 1.2652330966138559
Energy: 1.638487014365297
Energy: 1.5520621556961471
Energy: 1.712217825412483
Energy: 1.6648661890340684
Energy: 1.712217825412483
Energy: 1.5520621556961471
Energy: 1.712217825412483
Energy: 1.271943243391297
Energy: 1.8254605406077584
Energy: 1.9141421080564414
Energy: 1.8254605406077584
Energy: 1.2719432433920623
Energy: 1.8254605406077584

minimum gb energy = 1.2652330966123257 eV
minimum distance =  2.20328104527918 Angstroms
sigma value = 41


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

Energy: 1.1019801946997025
Energy: 1.1010190433861213
Energy: 1.9824732807584904
Energy: 1.1010190433861213
Energy: 1.1019801946997025
Energy: 1.1010190433861213
Energy: 1.8104626332906952
Energy: 1.061176122381637
Energy: 1.0594335587466421
Energy: 1.061176122381637
Energy: 1.8104626332906952
Energy: 1.061176122381637
Energy: 1.1180150872903851
Energy: 1.272287330530713
Energy: 1.0641040722961699
Energy: 1.2722873305286237
Energy: 1.1180150872903851
Energy: 1.2722873305286237
Energy: 1.8460412345837938
Energy: 1.0618899390206342
Energy: 1.059748111483555
Energy: 1.0618899390206342
Energy: 1.8460412345817045
Energy: 1.0618899390206342
Energy: 1.10130128684623
Energy: 1.6179344771155364
Energy: 1.059367804681032
Energy: 1.6179344771155364
Energy: 1.10130128684623
Energy: 1.6179344771155364
Energy: 1.0998178966487497
Energy: 1.1178409787636592
Energy: 1.0603585396741382
Energy: 1.117840978765748
Energy: 1.0998178966487497
Energy: 1.1178409787636592
Energy: 1.8173034610449943
Energy: 1.0605569829543597
Energy: 1.0592450375873004
Energy: 1.0605569829522707
Energy: 1.8173034610470837
Energy: 1.0605569829522707
Energy: 1.1130092140663788
Energy: 1.0650499408310037
Energy: 1.0592547410011939
Energy: 1.0650499408310037
Energy: 1.1130092140663788
Energy: 1.065049940833093
Energy: 1.8007720750419198
Energy: 1.1222193609746496
Energy: 1.0593509269579007
Energy: 1.1222193609746496
Energy: 1.8007720750419198
Energy: 1.1222193609746496
Energy: 1.102184151764494
Energy: 1.624353365345989
Energy: 1.059346162604079
Energy: 1.624353365345989
Energy: 1.1021841517665834
Energy: 1.6243533653439
Energy: 1.7925974824394215
Energy: 1.0610677193466072
Energy: 1.0638700943947978
Energy: 1.0610677193466072
Energy: 1.7925974824394215
Energy: 1.0610677193466072
Energy: 1.115526041037219
Energy: 1.2748687611347045
Energy: 1.8122998592045123
Energy: 1.2748687611367935
Energy: 1.115526041037219
Energy: 1.2748687611347045
Energy: 1.7924672811791738
Energy: 1.0608349885390838
Energy: 1.0638379387103842
Energy: 1.0608349885390838
Energy: 1.7924672811791738
Energy: 1.0608349885390838
Energy: 1.1018390525834507
Energy: 1.6093014180405192
Energy: 1.0593308243247277
Energy: 1.6093014180384297
Energy: 1.1018390525834507
Energy: 1.6093014180405192

minimum gb energy = 1.0592450375873004 eV
minimum distance =  2.24322203145128 Angstroms
sigma value = 11


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

Energy: 1.8269115083467482
Energy: 1.3765965431380847
Energy: 1.9145293369978804
Energy: 1.3765965431390024
Energy: 1.8269115083467482
Energy: 1.3765965431390024
Energy: 1.7845899988296818
Energy: 1.8104902958594975
Energy: 1.3348751283720637
Energy: 1.8104902958594975
Energy: 1.7845899988315173
Energy: 1.8104902958594975
Energy: 1.3355901239105459
Energy: 1.6602671723550633
Energy: 1.3331871248517075
Energy: 1.6602671723550633
Energy: 1.3355901239105459
Energy: 1.6602671723550633
Energy: 1.332671309441285
Energy: 1.4501816706044384
Energy: 1.3173677884648924
Energy: 1.4501816706044384
Energy: 1.332671309441285
Energy: 1.4501816706035209
Energy: 1.6342413531701192
Energy: 1.584792862854745
Energy: 1.3324842846501865
Energy: 1.5847928628529095
Energy: 1.634241353171037
Energy: 1.584792862853827
Energy: 1.4244421807740062
Energy: 1.569597930741595
Energy: 1.6172245164981967
Energy: 1.5695979307397596
Energy: 1.4244421807740062
Energy: 1.569597930743431
Energy: 1.3328720902673261
Energy: 1.8382712159178127
Energy: 1.4229107166121404
Energy: 1.8382712159178127
Energy: 1.3328720902673261
Energy: 1.8382712159187307
Energy: 1.318236805116374
Energy: 1.450074552659302
Energy: 1.4686019969921096
Energy: 1.450074552659302
Energy: 1.318236805116374
Energy: 1.450074552659302
Energy: 1.6831106878030686
Energy: 1.5214070754473539
Energy: 1.3343970834048329
Energy: 1.5214070754482716
Energy: 1.6831106878030686
Energy: 1.5214070754482716
Energy: 1.3334063732782857
Energy: 1.8715075437579343
Energy: 1.5082589132291873
Energy: 1.8715075437579343
Energy: 1.3334063732782857
Energy: 1.8715075437579343
Energy: 1.56404557723538
Energy: 1.8053272832477012
Energy: 1.7453784271779336
Energy: 1.805327283248619
Energy: 1.56404557723538
Energy: 1.8053272832477012
Energy: 1.3331811989721283
Energy: 1.5695725745089475
Energy: 1.6641144999213886
Energy: 1.5695725745080298
Energy: 1.3331811989721283
Energy: 1.5695725745080298
Energy: 1.3341611369135367
Energy: 1.600531737647159
Energy: 1.6308232768921376
Energy: 1.600531737646262
Energy: 1.3341611369135367
Energy: 1.600531737647159
Energy: 1.3515745689071537
Energy: 1.5157828049020259
Energy: 1.3324253136924489
Energy: 1.5157828049038615
Energy: 1.3515745689071537
Energy: 1.5157828049020259
Energy: 1.317409688400191
Energy: 1.7396136110581586
Energy: 1.616723605596836
Energy: 1.7396136110572409
Energy: 1.3174096884011088
Energy: 1.7396136110581586
Energy: 1.8412356884502306
Energy: 1.7947062003594707
Energy: 1.396700169809144
Energy: 1.7947062003585528
Energy: 1.8412356884502306
Energy: 1.7947062003585528
Energy: 1.3902074462012777
Energy: 1.7950337450356362
Energy: 1.6814406165788678
Energy: 1.7950337450347182
Energy: 1.3902074462012777
Energy: 1.7950337450356362
Energy: 1.6174698688644473
Energy: 1.7391196341755832
Energy: 1.316557749283392
Energy: 1.7391196341746655
Energy: 1.6174698688644473
Energy: 1.7391196341755832
Energy: 1.334561583345371
Energy: 1.3325038006578263
Energy: 1.351397443061622
Energy: 1.3325038006559908
Energy: 1.3345615833444533
Energy: 1.3325038006569085
Energy: 1.3161508228271508
Energy: 1.600235849261931
Energy: 1.3356482901774773
Energy: 1.600235849261931
Energy: 1.3161508228271508
Energy: 1.600235849261931
Energy: 1.6645060286162816
Energy: 1.650675572585482
Energy: 1.3337809831983205
Energy: 1.6506755725863997
Energy: 1.6645060286162816
Energy: 1.6506755725845643
Energy: 1.7448647947105376
Energy: 1.8018189609825708
Energy: 1.6467145436122261
Energy: 1.8018189609816742
Energy: 1.7448647947114553
Energy: 1.8018189609825708
Energy: 1.5950801221387019
Energy: 1.80943301524556
Energy: 1.4259985277108316
Energy: 1.8094330152446425
Energy: 1.5950801221387019
Energy: 1.8094330152446425
Energy: 1.3356343367825623
Energy: 1.5173241564600546
Energy: 1.7188267748157653
Energy: 1.5173241564609723
Energy: 1.3356343367825623
Energy: 1.5173241564591369
Energy: 1.4687402402390022
Energy: 1.4499008600014731
Energy: 1.317648184695568
Energy: 1.4499008600014731
Energy: 1.4687402402380847
Energy: 1.4499008600014731
Energy: 1.377563504863258
Energy: 1.5996439355167758
Energy: 1.3330379453007053
Energy: 1.5996439355167758
Energy: 1.377563504863258
Energy: 1.5996439355167758
Energy: 1.6169710334865661
Energy: 1.575084549760353
Energy: 1.6340600217614614
Energy: 1.575084549760353
Energy: 1.6169710334865661
Energy: 1.5750845497594352
Energy: 1.332486983525081
Energy: 1.64613763299101
Energy: 1.4258860023553044
Energy: 1.64613763299101
Energy: 1.332486983525081
Energy: 1.64613763299101
Energy: 1.3176408586758337
Energy: 1.4498600261569763
Energy: 1.3329668249027282
Energy: 1.4498600261569763
Energy: 1.3176408586758337
Energy: 1.4498600261569763
Energy: 1.3333109867335418
Energy: 1.64964618997143
Energy: 1.3351794830170267
Energy: 1.64964618997143
Energy: 1.3333109867335418
Energy: 1.64964618997143
Energy: 1.3332201250677223
Energy: 1.8094908212673664
Energy: 1.7334642600971673
Energy: 1.8094908212673664
Energy: 1.3332201250677223
Energy: 1.8094908212673664

minimum gb energy = 1.3161508228271508 eV
minimum distance =  2.22491771584154 Angstroms
sigma value = 57


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

Energy: 1.4544159388096956
Energy: 1.598617667400143
Energy: 1.7492795294755674
Energy: 1.598617667400143
Energy: 1.4544159388080622
Energy: 1.598617667400143
Energy: 1.4941876569711783
Energy: 1.7433178985844244
Energy: 1.3893805431464044
Energy: 1.5154232968464718
Energy: 1.4941876569711783
Energy: 1.584215400648495
Energy: 1.452289802112226
Energy: 1.5137470592948725
Energy: 1.3897458185451401
Energy: 1.5137470592932762
Energy: 1.452289802110593
Energy: 1.5137470592948725
Energy: 1.3899889449749003
Energy: 1.7300059949897073
Energy: 1.3899824588644363
Energy: 1.6285857017575245
Energy: 1.3899889449749003
Energy: 1.5506722253928422
Energy: 1.3898494504037981
Energy: 1.5138374269346855
Energy: 1.4519559513807776
Energy: 1.5138374269346855
Energy: 1.3898494504037981
Energy: 1.5138374269346855
Energy: 1.3893472896346917
Energy: 1.5841609724960182
Energy: 1.5049690863949199
Energy: 1.5841609724976515
Energy: 1.3893472896346917
Energy: 1.5841609724960182
Energy: 1.4603292755677486
Energy: 1.598617667400143
Energy: 1.4544159388096956
Energy: 1.598617667400143
Energy: 1.460329276153792
Energy: 1.598617667400143
Energy: 1.3893805431464044
Energy: 1.5154232968448387
Energy: 1.4941876569711783
Energy: 1.7433178985827913
Energy: 1.3893805431464044
Energy: 1.5154232968448387
Energy: 1.3897458185451401
Energy: 1.5137470592932762
Energy: 1.452289802112226
Energy: 1.5137470592948725
Energy: 1.3897458185451401
Energy: 1.5137470592932762
Energy: 1.3899824588644363
Energy: 1.7319995283569483
Energy: 1.3899889449749003
Energy: 1.5506713122153732
Energy: 1.3899824588644363
Energy: 1.6285856919449981
Energy: 1.4519559513807776
Energy: 1.5138374269346855
Energy: 1.3898494504037981
Energy: 1.5138374269330523
Energy: 1.4519559513807776
Energy: 1.5138374269330523
Energy: 1.504969086396553
Energy: 1.5841609724960182
Energy: 1.3893472896346917
Energy: 1.5841609724976515
Energy: 1.5049690863949199
Energy: 1.5841609724960182
Energy: 1.4544159388096956
Energy: 1.598617667400143
Energy: 1.460329276997763
Energy: 1.598617667400143
Energy: 1.4544159388080622
Energy: 1.598617667400143
Energy: 1.4941876569711783
Energy: 1.5842154006501281
Energy: 1.3893805431464044
Energy: 1.7433178985827913
Energy: 1.4941876569711783
Energy: 1.5842154006501281
Energy: 1.452289802112226
Energy: 1.5137470592948725
Energy: 1.3897458185451401
Energy: 1.5137470592932762
Energy: 1.452289802112226
Energy: 1.5137470592965057
Energy: 1.3899889449749003
Energy: 1.5506709368768272
Energy: 1.3899824588644363
Energy: 1.6038863885497232
Energy: 1.3899889449749003
Energy: 1.5506711089531076
Energy: 1.3898494504037981
Energy: 1.5138374269346855
Energy: 1.4519559513824107
Energy: 1.5138374269346855
Energy: 1.3898494504037981
Energy: 1.5138374269346855

minimum gb energy = 1.3893472896346917 eV
minimum distance =  2.23404969826134 Angstroms
sigma value = 9


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

Energy: 1.6162841090742217
Energy: 1.7373991930287727
Energy: 1.5666103648367022
Energy: 1.7373991930287727
Energy: 1.616284109072888
Energy: 1.7373991930287727
Energy: 1.487219234910412
Energy: 1.6479224182630232
Energy: 1.535885348225111
Energy: 1.6479224182643566
Energy: 1.487219234910412
Energy: 1.6479224182630232
Energy: 1.4827413355221684
Energy: 1.6792392110405538
Energy: 1.4886955285093322
Energy: 1.6792392110405538
Energy: 1.4827413355221684
Energy: 1.6792392110418872
Energy: 1.4990943311809322
Energy: 1.5677233994682631
Energy: 1.5010323395490048
Energy: 1.5677233994682631
Energy: 1.4990943311809322
Energy: 1.5677233994682631
Energy: 1.4815372175830646
Energy: 1.7291149696377648
Energy: 1.5490664632985287
Energy: 1.7291149696377648
Energy: 1.4815372175830646
Energy: 1.7291149696377648
Energy: 1.4990950571606392
Energy: 1.6598094502147631
Energy: 1.6495117802431412
Energy: 1.6598094502147631
Energy: 1.4990950571606392
Energy: 1.6598094502160967
Energy: 1.496779846150423
Energy: 1.6795602474728768
Energy: 1.545573694171265
Energy: 1.6795602474728768
Energy: 1.496779846150423
Energy: 1.6795602474728768
Energy: 1.5072485149770063
Energy: 1.5475257302878858
Energy: 1.4785526684207384
Energy: 1.5475257302878858
Energy: 1.5072485149770063
Energy: 1.5475257302878858
Energy: 1.505785349186726
Energy: 1.7333261052585391
Energy: 1.476452582873936
Energy: 1.7333261052585391
Energy: 1.505785349186726
Energy: 1.7333261052585391
Energy: 1.65809765165335
Energy: 1.7588471124974998
Energy: 1.4963454723546574
Energy: 1.7588471124974998
Energy: 1.65809765165335
Energy: 1.7588471124974998
Energy: 1.483713224852135
Energy: 1.6094035352142004
Energy: 1.4760584271398134
Energy: 1.6094035352128668
Energy: 1.483713224852135
Energy: 1.6094035352155338
Energy: 1.4686066547968355
Energy: 1.6824625390209935
Energy: 1.5034652685163234
Energy: 1.6824625390209935
Energy: 1.4686066547968355
Energy: 1.6824625390223271
Energy: 1.471696928087032
Energy: 1.6357908255986602
Energy: 1.5002182099490453
Energy: 1.6357908255986602
Energy: 1.471696928087032
Energy: 1.6357908255986602
Energy: 1.4686216162309793
Energy: 1.626684938105046
Energy: 1.4777354903423643
Energy: 1.6266849381063795
Energy: 1.4686216162309793
Energy: 1.6266849381063795
Energy: 1.658885502815863
Energy: 1.7594333020924249
Energy: 1.494467914799137
Energy: 1.7594333020924249
Energy: 1.658885502815863
Energy: 1.7594333020924249
Energy: 1.5102427271766918
Energy: 1.672018347918956
Energy: 1.4774189246674394
Energy: 1.672018347918956
Energy: 1.5102427271780254
Energy: 1.6720183479202897
Energy: 1.5133753686118592
Energy: 1.8021601901531894
Energy: 1.4785526688219301
Energy: 1.8021601901531894
Energy: 1.5133753686118592
Energy: 1.802160190151856
Energy: 1.5630093314803737
Energy: 1.7620937506386805
Energy: 1.4962170049817425
Energy: 1.7620937506386805
Energy: 1.56300933147904
Energy: 1.7620937506386805
Energy: 1.4957843279212995
Energy: 1.6613818352577832
Energy: 1.6386577598670666
Energy: 1.6613818352577832
Energy: 1.4957843279212995
Energy: 1.6613818352577832
Energy: 1.483755348527834
Energy: 1.7260423396302114
Energy: 1.489485214234352
Energy: 1.7260423396302114
Energy: 1.483755348527834
Energy: 1.7260423396302114
Energy: 1.4955897934030462
Energy: 1.5685818802419815
Energy: 1.5135419646861779
Energy: 1.5685818802406482
Energy: 1.4955897934030462
Energy: 1.5685818802406482

minimum gb energy = 1.4686066547968355 eV
minimum distance =  2.24128398025417 Angstroms
sigma value = 27


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

Energy: 1.6478576041646105
Energy: 1.8596301900235972
Energy: 1.6423177689968043
Energy: 1.8596301900235972
Energy: 1.6478576041646105
Energy: 1.8596301900235972
Energy: 1.615243373026896
Energy: 1.9095726838493317
Energy: 1.5351502693641608
Energy: 1.9095726838493317
Energy: 1.615243373026896
Energy: 1.9095726838493317
Energy: 1.4911975594902824
Energy: 1.7933047357292484
Energy: 1.5349099222252918
Energy: 1.7933047357303724
Energy: 1.4911975594902824
Energy: 1.7933047357292484
Energy: 1.5034573341688904
Energy: 1.6557173384092951
Energy: 1.5316559918819466
Energy: 1.6557173384092951
Energy: 1.5034573341688904
Energy: 1.6557173384092951
Energy: 1.532948662890537
Energy: 1.751951598969233
Energy: 1.5223957583652588
Energy: 1.7519515989703567
Energy: 1.532948662890537
Energy: 1.7519515989703567
Energy: 1.497691022583042
Energy: 1.5870855128313646
Energy: 1.4682332963299458
Energy: 1.5870855128313646
Energy: 1.497691022583042
Energy: 1.5870855128313646
Energy: 1.4743174028234214
Energy: 1.6221311842667037
Energy: 1.5050461911253528
Energy: 1.6221311842667037
Energy: 1.4743174028234214
Energy: 1.6221311842667037
Energy: 1.5333127723227953
Energy: 1.6304119711020197
Energy: 1.542335390406612
Energy: 1.630411971103144
Energy: 1.5333127723239193
Energy: 1.630411971103144
Energy: 1.5901708506704675
Energy: 1.6655363586294243
Energy: 1.7162608565043271
Energy: 1.6655363586294243
Energy: 1.5901708506704675
Energy: 1.6655363586294243
Energy: 1.5349294799076663
Energy: 1.6919437967845248
Energy: 1.5094351947777611
Energy: 1.6919437967845248
Energy: 1.5349294799076663
Energy: 1.6919437967856488
Energy: 1.5214563805199761
Energy: 1.6687201496416695
Energy: 1.509549677535932
Energy: 1.6687201496427932
Energy: 1.5214563805188777
Energy: 1.6687201496427932
Energy: 1.597815720248386
Energy: 1.6816061320738092
Energy: 1.554883010275875
Energy: 1.6816061320749331
Energy: 1.597815720248386
Energy: 1.6816061320738092
Energy: 1.5308446047209243
Energy: 1.7745225242351992
Energy: 1.5033796449822552
Energy: 1.7745225242363232
Energy: 1.5308446047242967
Energy: 1.7745225242351992
Energy: 1.474688083500114
Energy: 1.7000330516425617
Energy: 1.5425647118721533
Energy: 1.7000330516414381
Energy: 1.474688083500114
Energy: 1.7000330516414381
Energy: 1.5051683363109154
Energy: 1.6399720959660575
Energy: 1.5093561916193448
Energy: 1.6399720959649333
Energy: 1.5051683363109154
Energy: 1.6399720959649333
Energy: 1.5445676041354486
Energy: 1.751951598969233
Energy: 1.4922692423731683
Energy: 1.751951598969233
Energy: 1.5445676041343248
Energy: 1.7519515989703567
Energy: 1.5031955512839448
Energy: 1.6640469690648203
Energy: 1.4967180624015044
Energy: 1.6640469690648203
Energy: 1.5031955512839448
Energy: 1.6640469690648203
Energy: 1.4919766109028312
Energy: 1.691918650761815
Energy: 1.5346550994720851
Energy: 1.6919186507629387
Energy: 1.4919766109028312
Energy: 1.691918650761815
Energy: 1.6622346991202415
Energy: 1.7494201568970447
Energy: 1.534620553161918
Energy: 1.7494201568970447
Energy: 1.6622346991202415
Energy: 1.7494201568959205
Energy: 1.6478576041646105
Energy: 1.8596301900235972
Energy: 1.6108978409582302
Energy: 1.8596301900235972
Energy: 1.6478576041646105
Energy: 1.8596301900235972
Energy: 1.615243373026896
Energy: 1.9095726838493317
Energy: 1.5351502693630366
Energy: 1.9095726838493317
Energy: 1.615243373026896
Energy: 1.9095726838493317
Energy: 1.4911975594914064
Energy: 1.7933047357292484
Energy: 1.5349099222252918
Energy: 1.7933047357303724
Energy: 1.4911975594902824
Energy: 1.7933047357292484
Energy: 1.5034573341688904
Energy: 1.6557173384092951
Energy: 1.5316559918830703
Energy: 1.6557173384092951
Energy: 1.5034573341688904
Energy: 1.6557173384092951
Energy: 1.532948662890537
Energy: 1.7519515989703567
Energy: 1.5223957583652588
Energy: 1.751951598969233
Energy: 1.532948662891661
Energy: 1.751951598969233
Energy: 1.497691022583042
Energy: 1.5870855128313646
Energy: 1.46823329633107
Energy: 1.5870855128313646
Energy: 1.497691022583042
Energy: 1.5870855128313646

minimum gb energy = 1.4682332963299458 eV
minimum distance =  2.23998580963302 Angstroms
sigma value = 19


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

Energy: 1.7186778535290097
Energy: 1.7217700031803063
Energy: 1.5805616872196482
Energy: 1.7217700031803063
Energy: 1.7186778535290097
Energy: 1.7217700031803063
Energy: 1.6390924465365
Energy: 1.6146746341133487
Energy: 1.4947882173420344
Energy: 1.6146746341143188
Energy: 1.6390924465365
Energy: 1.6146746341133487
Energy: 1.4814068783313903
Energy: 1.7480687849383953
Energy: 1.4964836829044317
Energy: 1.7480687849383953
Energy: 1.4814068783313903
Energy: 1.7480687849383953
Energy: 1.5100788437747954
Energy: 1.6814654148023302
Energy: 1.474962986361848
Energy: 1.6814654148023302
Energy: 1.510078843773825
Energy: 1.6814654148023302
Energy: 1.5163646100598616
Energy: 1.6965867999757989
Energy: 1.410894811148099
Energy: 1.6965867999757989
Energy: 1.5163646100598616
Energy: 1.6965867999757989
Energy: 1.4980733257519099
Energy: 1.56449538405674
Energy: 1.4200950211272947
Energy: 1.56449538405674
Energy: 1.4980733257519099
Energy: 1.56449538405674
Energy: 1.5311681633442649
Energy: 1.587943847098231
Energy: 1.41075960813654
Energy: 1.587943847098231
Energy: 1.5311681633442649
Energy: 1.5879438470992011
Energy: 1.5079610666029333
Energy: 1.5645785148793165
Energy: 1.4191379523704557
Energy: 1.5645785148793165
Energy: 1.5079610666029333
Energy: 1.5645785148793165
Energy: 1.454127621819828
Energy: 1.6113413845985816
Energy: 1.5247547216908568
Energy: 1.6113413845985816
Energy: 1.454127621819828
Energy: 1.6113413845985816
Energy: 1.4211193350902975
Energy: 1.757911485915556
Energy: 1.4915174216647749
Energy: 1.757911485914586
Energy: 1.4211193350902975
Energy: 1.757911485915556
Energy: 1.5055686940317417
Energy: 1.6949851785165653
Energy: 1.496342349502079
Energy: 1.6949851785175358
Energy: 1.5055686940317417
Energy: 1.6949851785165653
Energy: 1.528200571845933
Energy: 1.7973101979895871
Energy: 1.5016942715465866
Energy: 1.7973101979905572
Energy: 1.528200571845933
Energy: 1.7973101979905572
Energy: 1.532148172730006
Energy: 1.7937682834970343
Energy: 1.4925328581404578
Energy: 1.7937682834970343
Energy: 1.532148172730006
Energy: 1.7937682834970343
Energy: 1.5266506409005918
Energy: 1.6965385884753355
Energy: 1.5418163633522841
Energy: 1.6965385884753355
Energy: 1.5266506409005918
Energy: 1.6965385884753355
Energy: 1.4488986605674778
Energy: 1.7383128215753505
Energy: 1.496241432830906
Energy: 1.7383128215753505
Energy: 1.4488986605665077
Energy: 1.7383128215753505
Energy: 1.4978734886499303
Energy: 1.6264425256980966
Energy: 1.4509579009110298
Energy: 1.6264425256971262
Energy: 1.4978734886499303
Energy: 1.6264425256971262
Energy: 1.4755128714283576
Energy: 1.5593882579634375
Energy: 1.4755570576384818
Energy: 1.5593882579634375
Energy: 1.4755128714283576
Energy: 1.5593882579634375
Energy: 1.4998126065055288
Energy: 1.713270745306697
Energy: 1.4340944411318697
Energy: 1.713270745306697
Energy: 1.4998126065055288
Energy: 1.713270745306697
Energy: 1.5316101666206214
Energy: 1.5636305159908621
Energy: 1.4751700531021044
Energy: 1.5636305159918324
Energy: 1.5316101666206214
Energy: 1.5636305159918324
Energy: 1.415951432641066
Energy: 1.6205849655392859
Energy: 1.452980859423494
Energy: 1.6205849655402562
Energy: 1.415951432641066
Energy: 1.6205849655402562
Energy: 1.5192062629295742
Energy: 1.7086644915183538
Energy: 1.478100168786991
Energy: 1.7086644915183538
Energy: 1.5192062629286038
Energy: 1.7086644915183538
Energy: 1.4924223479311949
Energy: 1.6949341232441335
Energy: 1.5422316000671932
Energy: 1.6949341232441335
Energy: 1.4924223479311949
Energy: 1.6949341232441335
Energy: 1.573421019937449
Energy: 1.8541014184226405
Energy: 1.4989986011584702
Energy: 1.8541014184226405
Energy: 1.5734210199364789
Energy: 1.8541014184236104
Energy: 1.5892856463627845
Energy: 1.742076440140716
Energy: 1.4935066141461992
Energy: 1.742076440140716
Energy: 1.5892856463637548
Energy: 1.742076440140716
Energy: 1.5460073418205387
Energy: 1.6957674865002266
Energy: 1.4900302626241904
Energy: 1.6957674865002266
Energy: 1.5460073418205387
Energy: 1.6957674865002266
Energy: 1.4226092730129265
Energy: 1.7874240500343943
Energy: 1.4960512832783788
Energy: 1.7874240500343943
Energy: 1.422609273013897
Energy: 1.7874240500343943
Energy: 1.5689507546342742
Energy: 1.652512217297458
Energy: 1.5501665565535847
Energy: 1.652512217297458
Energy: 1.5689507546342742
Energy: 1.652512217297458
Energy: 1.4634461043325753
Energy: 1.5626350349836768
Energy: 1.4191288736865169
Energy: 1.562635034984647
Energy: 1.4634461043325753
Energy: 1.5626350349836768
Energy: 1.5554881216406362
Energy: 1.5818815709376965
Energy: 1.4107926752737585
Energy: 1.5818815709376965
Energy: 1.5554881216406362
Energy: 1.5818815709376965

minimum gb energy = 1.41075960813654 eV
minimum distance =  2.22113515251233 Angstroms
sigma value = 101


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

Energy: 1.6233807432161707
Energy: 1.6575886345564486
Energy: 1.517329291865956
Energy: 1.6575886345564486
Energy: 1.6233807432170235
Energy: 1.6575886345573014
Energy: 1.499000794078863
Energy: 1.6106984210152862
Energy: 1.3864052529361421
Energy: 1.6106984210152862
Energy: 1.499000794079716
Energy: 1.6106984210144333
Energy: 1.3776338516089497
Energy: 1.5656847561667233
Energy: 1.3852227743567198
Energy: 1.5656847561667233
Energy: 1.377633851608097
Energy: 1.5656847561667233
Energy: 1.3476525266040789
Energy: 1.6193847902967762
Energy: 1.3587977323235934
Energy: 1.578913855845825
Energy: 1.3476525266032258
Energy: 1.5619434050065564
Energy: 1.3490500589900032
Energy: 1.463554901163134
Energy: 1.3540114057552937
Energy: 1.463554901163134
Energy: 1.3490500589900032
Energy: 1.4635549011622813
Energy: 1.4685586327052438
Energy: 1.5872994007483936
Energy: 1.452619696110415
Energy: 1.5872994007483936
Energy: 1.4685586327052438
Energy: 1.5872994007475405
Energy: 1.355482919190331
Energy: 1.6457943847735668
Energy: 1.3708545578060953
Energy: 1.6457943847744196
Energy: 1.355482919190331
Energy: 1.6457943847744196
Energy: 1.350690091031588
Energy: 1.639843844208602
Energy: 1.3551909466270686
Energy: 1.6458978220738318
Energy: 1.350690091031588
Energy: 1.6290689856843188
Energy: 1.3479906532810237
Energy: 1.5457741100786604
Energy: 1.4215027923395842
Energy: 1.5457741100786604
Energy: 1.347990653280171
Energy: 1.5457741100786604
Energy: 1.4179852870772547
Energy: 1.5352792130168755
Energy: 1.4334608959338526
Energy: 1.5352792130160224
Energy: 1.4179852870772547
Energy: 1.5352792130168755
Energy: 1.4623620712290297
Energy: 1.5262650563543663
Energy: 1.4214783124237944
Energy: 1.5262650563543663
Energy: 1.4623620712290297
Energy: 1.5262650563543663
Energy: 1.3868386390475782
Energy: 1.5646281483648503
Energy: 1.3486754401771661
Energy: 1.5646281483657032
Energy: 1.3868386390475782
Energy: 1.5646281483648503
Energy: 1.3853081957130189
Energy: 1.5656785978649417
Energy: 1.4447014498127524
Energy: 1.565678597863236
Energy: 1.3853081957130189
Energy: 1.565678597864089
Energy: 1.4521414840187579
Energy: 1.6481019272222206
Energy: 1.361121651947037
Energy: 1.6432242041251663
Energy: 1.4521414840187579
Energy: 1.6481019272222206
Energy: 1.401869969951133
Energy: 1.7999445230699334
Energy: 1.4994331795416331
Energy: 1.7999445230699334
Energy: 1.4018699699519859
Energy: 1.7999445230707862
Energy: 1.5209658357222051
Energy: 1.566334783742562
Energy: 1.4260375836312076
Energy: 1.566334783742562
Energy: 1.5209658357230582
Energy: 1.566334783743415
Energy: 1.3709229351561973
Energy: 1.573408547095168
Energy: 1.3473212492912308
Energy: 1.5734085470960208
Energy: 1.3709229351553445
Energy: 1.5734085470960208
Energy: 1.3520945640325643
Energy: 1.6011897211704482
Energy: 1.3492055902041398
Energy: 1.6011897211695951
Energy: 1.3520945640325643
Energy: 1.6011897211704482
Energy: 1.3632710970429136
Energy: 1.5347726574660414
Energy: 1.4565350769979357
Energy: 1.5347726574660414
Energy: 1.3632710970429136
Energy: 1.5347726574660414
Energy: 1.384605488909772
Energy: 1.6653342702538347
Energy: 1.4178669122310856
Energy: 1.6653342702538347
Energy: 1.384605488909772
Energy: 1.6653342702538347
Energy: 1.3719074666970459
Energy: 1.4793070348057609
Energy: 1.422916482526511
Energy: 1.4793070348040551
Energy: 1.3719074666953401
Energy: 1.4793070348066137
Energy: 1.4540718362636142
Energy: 1.5453165066850003
Energy: 1.4180805726010979
Energy: 1.545316506685853
Energy: 1.4540718362636142
Energy: 1.545316506685853
Energy: 1.3429198181236568
Energy: 1.5317723283088327
Energy: 1.3480262159025143
Energy: 1.5317723283079796
Energy: 1.3429198181236568
Energy: 1.5317723283096856
Energy: 1.3476592837641177
Energy: 1.6247362313858582
Energy: 1.4547251573334854
Energy: 1.6247362313858582
Energy: 1.3476592837658237
Energy: 1.6247362313850053
Energy: 1.3486663461319774
Energy: 1.5803279080467727
Energy: 1.4001107122570067
Energy: 1.5803279080467727
Energy: 1.3486663461319774
Energy: 1.5803279080476256
Energy: 1.4557531088784348
Energy: 1.62577277348892
Energy: 1.521051843557436
Energy: 1.6257727734897727
Energy: 1.4557531088784348
Energy: 1.6257727734906255
Energy: 1.529810401285982
Energy: 1.6279657323010943
Energy: 1.3855774035282693
Energy: 1.627965732294271
Energy: 1.5298104012851292
Energy: 1.6279657323028
Energy: 1.3623897415533126
Energy: 1.627447606430241
Energy: 1.4669230096035457
Energy: 1.627447606431094
Energy: 1.3623897415516069
Energy: 1.6274476064293881
Energy: 1.5939849819674756
Energy: 1.6285988708237311
Energy: 1.450118864387601
Energy: 1.628598870824584
Energy: 1.5939849819683285
Energy: 1.628598870824584
Energy: 1.3492646871861642
Energy: 1.5800267831198298
Energy: 1.4669864234834082
Energy: 1.580026783118977
Energy: 1.3492646871861642
Energy: 1.5800267831198298
Energy: 1.3478249312866653
Energy: 1.5733348630459056
Energy: 1.3529882725347198
Energy: 1.5733348630459056
Energy: 1.3478249312883712
Energy: 1.5733348630450916
Energy: 1.3732277839946747
Energy: 1.5311344881319517
Energy: 1.4523646650187247
Energy: 1.5311344881328046
Energy: 1.3732277839946747
Energy: 1.5311344881328046
Energy: 1.34860412102404
Energy: 1.6630833285329598
Energy: 1.3515793418448112
Energy: 1.6630833285338127
Energy: 1.34860412102404
Energy: 1.6630833285338127

minimum gb energy = 1.3429198181236568 eV
minimum distance =  2.23660702127134 Angstroms
sigma value = 33


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

Energy: 1.188795936443878
Energy: 1.1895669903593469
Energy: 2.9699603520465363
Energy: 1.189566990358638
Energy: 1.188795936443878
Energy: 1.189566990358638
Energy: 1.1890159752106635
Energy: 1.7833057864850528
Energy: 0.01579105407004691
Energy: 1.7833057864850528
Energy: 1.1890159752106635
Energy: 1.7833057864850528
Energy: 1.8287371260998655
Energy: 0.015955833694699013
Energy: 0.015195617897985743
Energy: 0.015955833693990375
Energy: 1.828737126099196
Energy: 0.015955833693990375
Energy: 1.1890159752106635
Energy: 1.7833057864850528
Energy: 0.01579105407004691
Energy: 1.7833057864857615
Energy: 1.1890159752106635
Energy: 1.7833057864850528

minimum gb energy = 0.015195617897985743 eV
minimum distance =  2.3992317068534 Angstroms
sigma value = 1