Model name: model_name=Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391734480858
cohesive_energy=4.450349978305024
mass=58.6934
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: 0.018146581414128036
Energy: 1.4518190974133627
Energy: 0.018146581414128036
Energy: 1.4518190974140235
Energy: 0.018146581414128036
Energy: 1.4518190974136933
Energy: 1.4518190974136933
Energy: 1.173329455347363
Energy: 1.4518190974130323
Energy: 1.5879396270371482
Energy: 1.4518190974136933
Energy: 1.6582888822815345
Energy: 0.018146581414128036
Energy: 1.4518190974133627
Energy: 0.018146581414128036
Energy: 1.4518190974133627
Energy: 0.018146581414128036
Energy: 1.4518190974136933
Energy: 1.4518190974133627
Energy: 1.5879396270365238
Energy: 1.4518190974136933
Energy: 1.6582888822818649
Energy: 1.4518190974136933
Energy: 1.6582888822815345
Energy: 0.018146581414128036
Energy: 1.4518190974136933
Energy: 0.018146581414128036
Energy: 1.4518190974130323
Energy: 0.018146581414128036
Energy: 1.4518190974130323
Energy: 1.4518190974133627
Energy: 1.6582888822815345
Energy: 1.4518190974133627
Energy: 1.6582888822821953
Energy: 1.4518190974133627
Energy: 1.6582888822821953

minimum gb energy = 0.018146581414128036 eV
minimum distance =  2.32661733160858 Angstroms
sigma value = 1


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

Energy: 1.5622678543207607
Energy: 1.4474894585173836
Energy: 1.5622678543207607
Energy: 1.4474894585173836
Energy: 1.5622678543207607
Energy: 1.4474894585173836
Energy: 1.7364346304763383
Energy: 1.3593825821173753
Energy: 1.7364346304755427
Energy: 1.3593825821173753
Energy: 1.7364346304755427
Energy: 1.3593825821173753
Energy: 1.4664146077816202
Energy: 1.526623424060465
Energy: 1.4664146077808244
Energy: 1.526623424060465
Energy: 1.4664146077816202
Energy: 1.526623424060465
Energy: 1.6294908018687575
Energy: 1.4099249884604632
Energy: 1.6294908018680343
Energy: 1.4099249884596678
Energy: 1.6294908018687575
Energy: 1.4099249884596678
Energy: 1.4681729692187298
Energy: 1.5894236889494433
Energy: 1.4681729692195253
Energy: 1.5894236889494433
Energy: 1.4681729692195253
Energy: 1.5894236889494433
Energy: 1.5666660160266834
Energy: 1.404315480081943
Energy: 1.5666660160266834
Energy: 1.404315480081943
Energy: 1.5666660160266834
Energy: 1.4043154800811475
Energy: 1.4707701894936256
Energy: 1.531551716868413
Energy: 1.4707701894936256
Energy: 1.531551716868413
Energy: 1.4707701894936256
Energy: 1.531551716868413
Energy: 1.4185496800502915
Energy: 1.6418321668973723
Energy: 1.4185496800502915
Energy: 1.6418321668965767
Energy: 1.418549680051087
Energy: 1.6418321668965767
Energy: 1.5431206710983294
Energy: 1.5356562206373836
Energy: 1.5431206710983294
Energy: 1.5356562206373836
Energy: 1.5431206710991252
Energy: 1.5356562206373836
Energy: 1.3448170214203077
Energy: 1.6224849245462303
Energy: 1.3448170214195119
Energy: 1.6224849245454347
Energy: 1.3448170214195119
Energy: 1.6224849245462303
Energy: 1.724164674331504
Energy: 1.3937416996077767
Energy: 1.7241646743322994
Energy: 1.3937416996085723
Energy: 1.724164674331504
Energy: 1.3937416996077767
Energy: 1.3162086694821395
Energy: 1.842630947101978
Energy: 1.316208669481344
Energy: 1.842630947101978
Energy: 1.3162086694821395
Energy: 1.842630947101978
Energy: 1.6312886672067324
Energy: 1.311557976817416
Energy: 1.631288667207528
Energy: 1.3115579768182113
Energy: 1.631288667207528
Energy: 1.3115579768190069
Energy: 1.4164683792073716
Energy: 1.4177865082174488
Energy: 1.4164683792073716
Energy: 1.4177865082182441
Energy: 1.4164683792073716
Energy: 1.4177865082174488
Energy: 1.7258464703754408
Energy: 1.3543319130031215
Energy: 1.7258464703746454
Energy: 1.3543319130023264
Energy: 1.7258464703746454
Energy: 1.3543319130023264
Energy: 1.7245563197350677
Energy: 1.5555393700518496
Energy: 1.724556319735863
Energy: 1.5555393700526452
Energy: 1.7245563197350677
Energy: 1.5555393700526452
Energy: 1.5149727977476815
Energy: 1.4817248303918278
Energy: 1.5149727977484766
Energy: 1.4817248303918278
Energy: 1.5149727977492724
Energy: 1.4817248303918278
Energy: 1.51509128942304
Energy: 1.4388653909263829
Energy: 1.51509128942304
Energy: 1.4388653909263829
Energy: 1.5150912894222444
Energy: 1.4388653909263829
Energy: 1.3495150298279548
Energy: 1.4128377193810746
Energy: 1.3495150298279548
Energy: 1.4128377193810746
Energy: 1.3495150298279548
Energy: 1.412837719380279
Energy: 1.5448123762050843
Energy: 1.4050012487422927
Energy: 1.544812376204289
Energy: 1.4050012487422927
Energy: 1.544812376204289
Energy: 1.405001248743088
Energy: 1.3723653331373709
Energy: 1.868596873096026
Energy: 1.3723653331373709
Energy: 1.868596873096026
Energy: 1.3723653331373709
Energy: 1.8685968730968214
Energy: 1.5241263799758429
Energy: 1.538753945478573
Energy: 1.5241263799758429
Energy: 1.538753945478573
Energy: 1.5241263799758429
Energy: 1.538753945478573
Energy: 1.3322504220559437
Energy: 1.611998579325272
Energy: 1.3322504220567395
Energy: 1.611998579325272
Energy: 1.3322504220559437
Energy: 1.6119985793244764

minimum gb energy = 1.311557976817416 eV
minimum distance =  2.23136534650159 Angstroms
sigma value = 33


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

Energy: 1.6864119229155798
Energy: 1.601629086112193
Energy: 1.5597236382143227
Energy: 1.6016290861126454
Energy: 1.6864119229155798
Energy: 1.6016290861126454
Energy: 1.5995877599248909
Energy: 1.4292624852250686
Energy: 1.5995877599248909
Energy: 1.4292624852250686
Energy: 1.5995877599248909
Energy: 1.4292624852250686
Energy: 1.3680068995510404
Energy: 1.2999966402508882
Energy: 1.3680068995510404
Energy: 1.2999966402508882
Energy: 1.3680068995510404
Energy: 1.2999966402504357
Energy: 1.6812839247721953
Energy: 1.6291138736273516
Energy: 1.6812839247721953
Energy: 1.6291138736273516
Energy: 1.6812839247717426
Energy: 1.6291138736273516
Energy: 1.4979495013246618
Energy: 1.5098602307536553
Energy: 1.4979495013246618
Energy: 1.5098602307536553
Energy: 1.4979495013246618
Energy: 1.5098602307536553
Energy: 1.3902101885057976
Energy: 1.3671832744181158
Energy: 1.3902101885057976
Energy: 1.3673063762230533
Energy: 1.3902101885057976
Energy: 1.3671832744181158
Energy: 1.6018061977656903
Energy: 1.6136163140474116
Energy: 1.601806197776098
Energy: 1.5550435433287053
Energy: 1.601806197792841
Energy: 1.6136163140474116
Energy: 1.2977355481403707
Energy: 1.348449892910424
Energy: 1.2977355481403707
Energy: 1.348449892900921
Energy: 1.2977355481408233
Energy: 1.3484498929058988
Energy: 1.378511345258989
Energy: 1.3712018031139916
Energy: 1.3785113452585365
Energy: 1.3712018031135391
Energy: 1.378511345258989
Energy: 1.3712018031135391
Energy: 1.3464973974912327
Energy: 1.670332226013159
Energy: 1.346496010671882
Energy: 1.670332226013159
Energy: 1.3464973974912327
Energy: 1.670332226013159
Energy: 1.5203016283232826
Energy: 1.3486608666769277
Energy: 1.5203016283092958
Energy: 1.3486608666769277
Energy: 1.5203016283088433
Energy: 1.3486608666769277
Energy: 1.3667575146969493
Energy: 1.44862537202531
Energy: 1.3667577127631942
Energy: 1.44862537202531
Energy: 1.3667575146969493
Energy: 1.4486253720257627
Energy: 1.5493045036032866
Energy: 1.3608202526756796
Energy: 1.5493045036032866
Energy: 1.3608202526752269
Energy: 1.5493045036032866
Energy: 1.3608202526756796
Energy: 1.549046626476742
Energy: 1.5472076057609856
Energy: 1.5490466264771945
Energy: 1.5472076057618906
Energy: 1.549046626476742
Energy: 1.5472076057623432
Energy: 1.5263059657727622
Energy: 1.4291698669916448
Energy: 1.5263059657727622
Energy: 1.4291698669916448
Energy: 1.5263059657727622
Energy: 1.4291698669920974
Energy: 1.373615679197452
Energy: 1.3002216623276661
Energy: 1.373615679197452
Energy: 1.3002216623276661
Energy: 1.373615679197452
Energy: 1.3002216623285712
Energy: 1.722405613456694
Energy: 1.551685488853746
Energy: 1.7224056134562415
Energy: 1.551685488853746
Energy: 1.722405613456694
Energy: 1.5516854888541987
Energy: 1.4970031661730325
Energy: 1.3823562808417789
Energy: 1.4970031661730325
Energy: 1.3823211432504474
Energy: 1.4970031661730325
Energy: 1.3823562808417789
Energy: 1.448985293712044
Energy: 1.4502880329643861
Energy: 1.448985293712044
Energy: 1.4558083450222843
Energy: 1.448985293712044
Energy: 1.4502880329648384
Energy: 1.603438644633956
Energy: 1.5639850624066935
Energy: 1.6034386446344084
Energy: 1.6241469057327935
Energy: 1.6034386446344084
Energy: 1.563985062406241
Energy: 1.29551814782232
Energy: 1.3770488217457124
Energy: 1.29551814782232
Energy: 1.3770488218004664
Energy: 1.29551814782232
Energy: 1.3770488217855335
Energy: 1.5910500724940568
Energy: 1.3711234512936334
Energy: 1.5910500724967718
Energy: 1.3711234512936334
Energy: 1.5910500724990344
Energy: 1.3711234512936334
Energy: 1.346269087548779
Energy: 1.9790022317275135
Energy: 1.3462656690551384
Energy: 1.9790022317270612
Energy: 1.3462690875483263
Energy: 1.9790022317275135
Energy: 1.4765431967717955
Energy: 1.498108150679277
Energy: 1.4765431967727005
Energy: 1.498108150679277
Energy: 1.4765431967736053
Energy: 1.4981081506797294
Energy: 1.3682104746516957
Energy: 1.4114554510992303
Energy: 1.3679020224268188
Energy: 1.4114554511001351
Energy: 1.3682104746516957
Energy: 1.4114554511010404
Energy: 1.6664197997852495
Energy: 1.6060408891522477
Energy: 1.5494620719652976
Energy: 1.6060408891522477
Energy: 1.6664197997852495
Energy: 1.6060408891513427
Energy: 1.3486773856804255
Energy: 1.2886628006750593
Energy: 1.5495031868858988
Energy: 1.2886628006944763
Energy: 1.3486773856573475
Energy: 1.288662800681847
Energy: 1.3685531351452926
Energy: 1.4360776745182806
Energy: 1.368553135145745
Energy: 1.4360776745178283
Energy: 1.368553135145745
Energy: 1.4360776745182806
Energy: 1.671278741077967
Energy: 1.4287548145535593
Energy: 1.6712787410775143
Energy: 1.4287548145535593
Energy: 1.6712787410775143
Energy: 1.428754814553107
Energy: 1.3463440004780518
Energy: 1.4695196546672837
Energy: 1.3463440004780518
Energy: 1.4695196546591385
Energy: 1.346344000477599
Energy: 1.469519654664116
Energy: 1.9199609790149064
Energy: 1.3711484247088932
Energy: 1.9199609790144538
Energy: 1.3711931532037038
Energy: 1.9199609790149064
Energy: 1.3711484247088932
Energy: 1.360040831663002
Energy: 1.6082528214556526
Energy: 1.360040831663002
Energy: 1.549496673154206
Energy: 1.360040831663002
Energy: 1.6082528214556526
Energy: 1.604413193841595
Energy: 1.627465817946595
Energy: 1.6044131938411426
Energy: 1.5642507779809978
Energy: 1.6044131938406903
Energy: 1.6274658179461425
Energy: 1.4309475919492713
Energy: 1.5254716105263169
Energy: 1.4309475919488186
Energy: 1.5254716105258646
Energy: 1.430947591948366
Energy: 1.5254716105258646
Energy: 1.3027373780077958
Energy: 1.3733059423796647
Energy: 1.302737378008248
Energy: 1.3733059423796647
Energy: 1.3027373780087006
Energy: 1.3733059423801175
Energy: 1.6204590919180248
Energy: 1.6822582605051335
Energy: 1.6204590919180248
Energy: 1.6822582605051335
Energy: 1.6204590919180248
Energy: 1.6822582605051335
Energy: 1.381940287293836
Energy: 1.4969673031194268
Energy: 1.3819417180620466
Energy: 1.4969673031194268
Energy: 1.3819402872942883
Energy: 1.4969673031194268
Energy: 1.4510818599286783
Energy: 1.390290682737162
Energy: 1.4510818599282256
Energy: 1.3902906827353516
Energy: 1.4510818599286783
Energy: 1.3902906827358041
Energy: 1.5490281185568429
Energy: 1.607920638482502
Energy: 1.5490281185563903
Energy: 1.607920638482502
Energy: 1.5490281185563903
Energy: 1.6079206384820495
Energy: 1.515690920405128
Energy: 1.2964305529853297
Energy: 1.515690920405128
Energy: 1.2964305529848772
Energy: 1.515690920405128
Energy: 1.2964305529848772
Energy: 1.3667806598816976
Energy: 1.374531908846589
Energy: 1.3667806598816976
Energy: 1.3745319088470416
Energy: 1.3667806598816976
Energy: 1.374531908846589

minimum gb energy = 1.2886628006750593 eV
minimum distance =  2.32229660314864 Angstroms
sigma value = 51


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

Energy: 1.5003097737396918
Energy: 1.5019164071604882
Energy: 1.5003097737396918
Energy: 1.5019164071604882
Energy: 1.5003097737396918
Energy: 1.5019164071604882
Energy: 1.7410013969115004
Energy: 1.4189582472628062
Energy: 1.7410013969115004
Energy: 1.4189582472628062
Energy: 1.7410013969115004
Energy: 1.4189582472628062
Energy: 1.4412185988914572
Energy: 1.4669687332072228
Energy: 1.4412185988914572
Energy: 1.4669687332082713
Energy: 1.4412185988925055
Energy: 1.4669687332082713
Energy: 1.475598694879422
Energy: 1.3046721558071552
Energy: 1.475598694879422
Energy: 1.3046721558071552
Energy: 1.475598694879422
Energy: 1.3046721558071552
Energy: 1.520036859768266
Energy: 1.4583715670732267
Energy: 1.520036859768266
Energy: 1.4583715670732267
Energy: 1.520036859768266
Energy: 1.4583715670732267
Energy: 1.5186175080171322
Energy: 1.4581321818845554
Energy: 1.518617508018181
Energy: 1.4581321818845554
Energy: 1.5186175080171322
Energy: 1.4581321818845554
Energy: 1.4004122097445701
Energy: 1.45842788855833
Energy: 1.4004122097445701
Energy: 1.45842788855833
Energy: 1.4004122097445701
Energy: 1.45842788855833
Energy: 1.3864096610079673
Energy: 1.4589481981897006
Energy: 1.3864096610079673
Energy: 1.458948198190749
Energy: 1.3864096610079673
Energy: 1.458948198190749
Energy: 1.7152434778827053
Energy: 1.3000847597780405
Energy: 1.7152434778827053
Energy: 1.3000847597790892
Energy: 1.7152434778827053
Energy: 1.3000847597790892
Energy: 1.3313351885353377
Energy: 1.7112359401779034
Energy: 1.3313351885353377
Energy: 1.7112359401831456
Energy: 1.3313351885353377
Energy: 1.7112359401820971
Energy: 1.723706408374496
Energy: 1.3171769977664398
Energy: 1.7237064083755445
Energy: 1.3171769977664398
Energy: 1.7237064083755445
Energy: 1.3171769977664398
Energy: 1.5055906162053738
Energy: 1.5047237879194166
Energy: 1.5055906162053738
Energy: 1.5047237879194166
Energy: 1.505590616206422
Energy: 1.5047237879194166
Energy: 1.758871947535853
Energy: 1.4194256521883308
Energy: 1.7588719475348047
Energy: 1.4194256521883308
Energy: 1.7588719475348047
Energy: 1.4194256521883308
Energy: 1.441239894668409
Energy: 1.4058424614398843
Energy: 1.441239894668409
Energy: 1.4058424614409328
Energy: 1.441239894668409
Energy: 1.4058424614409328
Energy: 1.4734115830407257
Energy: 1.4873124958379051
Energy: 1.4734115830407257
Energy: 1.4873124958379051
Energy: 1.4734115830407257
Energy: 1.4873124958379051
Energy: 1.519122727610678
Energy: 1.4582257665963978
Energy: 1.519122727610678
Energy: 1.4582257665963978
Energy: 1.5191227276096297
Energy: 1.4582257665963978
Energy: 1.5216522716523795
Energy: 1.6002720313615304
Energy: 1.5216522716523795
Energy: 1.6002720313615304
Energy: 1.5216522716523795
Energy: 1.6002720313615304
Energy: 1.4568017097336323
Energy: 1.458669572012806
Energy: 1.4568017097336323
Energy: 1.4586695720138545
Energy: 1.4568017097336323
Energy: 1.4586695720138545

minimum gb energy = 1.3000847597780405 eV
minimum distance =  2.24313025658613 Angstroms
sigma value = 19


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

Energy: 1.2024360134458068
Energy: 1.2253910511336912
Energy: 1.2024360134451848
Energy: 1.2253910511336912
Energy: 1.2024360134451848
Energy: 1.2253910511336912
Energy: 1.4724543110009394
Energy: 1.51173821725916
Energy: 1.4724543110028052
Energy: 1.51173821725916
Energy: 1.4724543110009394
Energy: 1.51173821725916
Energy: 1.1589386049195638
Energy: 1.5109412554160673
Energy: 1.1589386049195638
Energy: 1.5109412554166892
Energy: 1.1589386049195638
Energy: 1.5109412554166892
Energy: 1.2635673883779435
Energy: 1.1589447982823904
Energy: 1.2635673883779435
Energy: 1.1589447982823904
Energy: 1.2635673883773215
Energy: 1.1589447982823904
Energy: 1.1816456053980224
Energy: 1.2014372043793666
Energy: 1.1816456053974007
Energy: 1.2014372043793666
Energy: 1.1816456053967785
Energy: 1.201437204378123
Energy: 1.1817044060297415
Energy: 1.2012323449148246
Energy: 1.1817044060291197
Energy: 1.2012323449148246
Energy: 1.1817044060291197
Energy: 1.2012323449148246
Energy: 1.2636974692677791
Energy: 1.1589487971946786
Energy: 1.2636974692677791
Energy: 1.1589487971946786
Energy: 1.2636974692671572
Energy: 1.1589487971946786
Energy: 1.1589197746827216
Energy: 1.5109506782785918
Energy: 1.1589197746827216
Energy: 1.5109506782785918
Energy: 1.1589197746827216
Energy: 1.5109506782785918
Energy: 1.4723353616229238
Energy: 1.511692478185901
Energy: 1.4723353616241677
Energy: 1.511692478185901
Energy: 1.4723353616235457
Energy: 1.511692478185279
Energy: 1.2024360134458068
Energy: 1.2253910511336912
Energy: 1.2024360134458068
Energy: 1.2253910511336912
Energy: 1.2024360134451848
Energy: 1.2253910511343133
Energy: 1.4724543110009394
Energy: 1.51173821725916
Energy: 1.4724543110021833
Energy: 1.51173821725916
Energy: 1.4724543110003177
Energy: 1.51173821725916
Energy: 1.1589386049195638
Energy: 1.5109412554166892
Energy: 1.1589386049189419
Energy: 1.5109412554166892
Energy: 1.1589386049195638
Energy: 1.5109412554160673
Energy: 1.2635673883785654
Energy: 1.1589447982817684
Energy: 1.2635673883779435
Energy: 1.1589447982823904
Energy: 1.2635673883773215
Energy: 1.1589447982823904
Energy: 1.1816456053974007
Energy: 1.2014372043793666
Energy: 1.1816456053974007
Energy: 1.201437204378123
Energy: 1.1816456053980224
Energy: 1.2014372043793666
Energy: 1.1817044060291197
Energy: 1.2012323449142028
Energy: 1.1817044060297415
Energy: 1.2012323449160687
Energy: 1.1817044060297415
Energy: 1.2012323449160687
Energy: 1.2636974692671572
Energy: 1.1589487971953008
Energy: 1.263697469268401
Energy: 1.1589487971953008
Energy: 1.2636974692677791
Energy: 1.1589487971946786
Energy: 1.1589197746827216
Energy: 1.5109506782785918
Energy: 1.1589197746827216
Energy: 1.5109506782785918
Energy: 1.1589197746827216
Energy: 1.5109506782785918
Energy: 1.4723353616247614
Energy: 1.511692478185901
Energy: 1.4723353616235457
Energy: 1.511692478185279
Energy: 1.4723353616229238
Energy: 1.511692478185279
Energy: 1.2024360134451848
Energy: 1.2253910511336912
Energy: 1.2024360134451848
Energy: 1.2253910511336912
Energy: 1.2024360134451848
Energy: 1.2253910511336912
Energy: 1.4724543110009394
Energy: 1.511738217259782
Energy: 1.4724543110021833
Energy: 1.51173821725916
Energy: 1.4724543110009394
Energy: 1.51173821725916
Energy: 1.1589386049195638
Energy: 1.5109412554166892
Energy: 1.1589386049195638
Energy: 1.5109412554166892
Energy: 1.1589386049195638
Energy: 1.5109412554160673
Energy: 1.2635673883779435
Energy: 1.1589447982817684
Energy: 1.2635673883785654
Energy: 1.1589447982830121
Energy: 1.2635673883785654
Energy: 1.1589447982830121
Energy: 1.1816456053974007
Energy: 1.2014372043787447
Energy: 1.1816456053986444
Energy: 1.2014372043793666
Energy: 1.1816456053967785
Energy: 1.2014372043787447
Energy: 1.1817044060297415
Energy: 1.2012323449154467
Energy: 1.1817044060297415
Energy: 1.2012323449148246
Energy: 1.1817044060297415
Energy: 1.2012323449154467
Energy: 1.2636974692671572
Energy: 1.1589487971946786
Energy: 1.2636974692677791
Energy: 1.1589487971959227
Energy: 1.2636974692677791
Energy: 1.1589487971946786
Energy: 1.1589197746827216
Energy: 1.5109506782792137
Energy: 1.1589197746833433
Energy: 1.5109506782785918
Energy: 1.1589197746827216
Energy: 1.5109506782792137
Energy: 1.472335361622302
Energy: 1.511692478185901
Energy: 1.4723353616241677
Energy: 1.511692478185901
Energy: 1.4723353616229238
Energy: 1.511692478185279
Energy: 1.2024360134458068
Energy: 1.2253910511336912
Energy: 1.2024360134458068
Energy: 1.2253910511336912
Energy: 1.2024360134458068
Energy: 1.2253910511336912
Energy: 1.4724543110009394
Energy: 1.511738217259782
Energy: 1.4724543110009394
Energy: 1.511738217259782
Energy: 1.4724543110021833
Energy: 1.51173821725916
Energy: 1.1589386049195638
Energy: 1.5109412554160673
Energy: 1.1589386049195638
Energy: 1.5109412554166892
Energy: 1.1589386049195638
Energy: 1.5109412554166892

minimum gb energy = 1.1589197746827216 eV
minimum distance =  2.24531395991296 Angstroms
sigma value = 27


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

Energy: 1.2120486700782112
Energy: 1.1742998186164801
Energy: 1.2120486700797344
Energy: 1.1742998186164801
Energy: 1.2120486700797344
Energy: 1.1742998186164801
Energy: 1.4988979736240207
Energy: 1.2280719214410933
Energy: 1.4988979736240207
Energy: 1.2280719214410933
Energy: 1.498897973622497
Energy: 1.2280719214410933
Energy: 1.2543899512606151
Energy: 1.3549967032737444
Energy: 1.2543899512621386
Energy: 1.3549967032737444
Energy: 1.2543899512621386
Energy: 1.3549967032737444
Energy: 1.5368516495345947
Energy: 1.1408061740577957
Energy: 1.5368516495345947
Energy: 1.1408061740577957
Energy: 1.5368516495345947
Energy: 1.1408061740577957
Energy: 1.5389313021648148
Energy: 1.1405566240663878
Energy: 1.5389313021648148
Energy: 1.1405566240648646
Energy: 1.5389313021648148
Energy: 1.1405566240663878
Energy: 1.4152710091534342
Energy: 1.4751364267704232
Energy: 1.4152710091534342
Energy: 1.4751364267704232
Energy: 1.4152710091534342
Energy: 1.4751364267704232
Energy: 1.3182811927339864
Energy: 1.2317385518803545
Energy: 1.3182811927339864
Energy: 1.2317385518803545
Energy: 1.3182811927339864
Energy: 1.2317385518803545
Energy: 1.209225485382217
Energy: 1.1757939288209245
Energy: 1.209225485382217
Energy: 1.175793928822448
Energy: 1.209225485382217
Energy: 1.1757939288209245
Energy: 1.5102896250334858
Energy: 1.2195547950089665
Energy: 1.5102896250334858
Energy: 1.2195547581533694
Energy: 1.5102896250334858
Energy: 1.2195547655263028
Energy: 1.32838318668658
Energy: 1.441045028124101
Energy: 1.32838318668658
Energy: 1.4410450281256244
Energy: 1.32838318668658
Energy: 1.4410450281256244
Energy: 1.288723922859648
Energy: 1.1408033153228956
Energy: 1.288723922859648
Energy: 1.1408033153228956
Energy: 1.2887239228611715
Energy: 1.1408033153228956
Energy: 1.4710342008379151
Energy: 1.3590823016404685
Energy: 1.4710342008379151
Energy: 1.3590823016404685
Energy: 1.4710342008379151
Energy: 1.3590823016404685

minimum gb energy = 1.1405566240648646 eV
minimum distance =  2.22102498308479 Angstroms
sigma value = 9


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

Energy: 1.2634760569618766
Energy: 1.203382631785355
Energy: 1.2634760569618766
Energy: 1.203382631786639
Energy: 1.263476056962305
Energy: 1.203382631785355
Energy: 1.265457154810887
Energy: 1.1898169762029696
Energy: 1.265457154809175
Energy: 1.2582208313408827
Energy: 1.2654571548121711
Energy: 1.1897914972323087
Energy: 1.0758793650247611
Energy: 1.5001920466442606
Energy: 1.0758793650239051
Energy: 1.5001920466442606
Energy: 1.0758793650247611
Energy: 1.5001920466446887
Energy: 1.1037456675295205
Energy: 1.0559705148746232
Energy: 1.1037456675290926
Energy: 1.0559705148741954
Energy: 1.1037456675290926
Energy: 1.0559705148746232
Energy: 1.2248720957896846
Energy: 1.1610820095992487
Energy: 1.2248720957896846
Energy: 1.1610820095992487
Energy: 1.2248720957896846
Energy: 1.1610820095992487
Energy: 1.2240293794388262
Energy: 1.209139225013919
Energy: 1.2240293794388262
Energy: 1.235695499791894
Energy: 1.2240293794392543
Energy: 1.235695499791466
Energy: 1.1488243528944102
Energy: 1.2618446151286318
Energy: 1.1488243528944102
Energy: 1.2618446151286318
Energy: 1.1488243528944102
Energy: 1.261844615129488
Energy: 1.028401551478279
Energy: 1.2554515805439557
Energy: 1.028401551478279
Energy: 1.2554515805439557
Energy: 1.028401551478279
Energy: 1.2554515805439557
Energy: 1.3909691583784218
Energy: 1.1605954792544553
Energy: 1.39096915837885
Energy: 1.1605954792548836
Energy: 1.39096915837885
Energy: 1.1605954792578796
Energy: 1.2162485675897334
Energy: 1.4830626884631546
Energy: 1.2162485675893056
Energy: 1.4830626884622982
Energy: 1.2162485675901615
Energy: 1.4830626884635825
Energy: 1.1022685390949956
Energy: 1.0602275682432407
Energy: 1.1022685390949956
Energy: 1.0602275682432407
Energy: 1.1022685390949956
Energy: 1.0602275682428124
Energy: 1.1489267553670834
Energy: 1.2578365601171304
Energy: 1.1489267553670834
Energy: 1.2578365601171304
Energy: 1.1489267553675113
Energy: 1.2578365601171304
Energy: 1.3173756237997738
Energy: 1.1908452210563407
Energy: 1.317375623800202
Energy: 1.1908452210567688
Energy: 1.3173756238010579
Energy: 1.1908452210563407
Energy: 1.2615567580708749
Energy: 1.5006734770732597
Energy: 1.2615567580713032
Energy: 1.5006734770732597
Energy: 1.2615567580708749
Energy: 1.5006734770736878
Energy: 1.075126605337123
Energy: 1.230136667169577
Energy: 1.075126605337979
Energy: 1.230136667169577
Energy: 1.075126605337551
Energy: 1.2301366671700051
Energy: 1.327156523096116
Energy: 1.2461494420472354
Energy: 1.327156523096116
Energy: 1.2461494420468076
Energy: 1.3271565230965443
Energy: 1.2461494420472354
Energy: 1.430263965052066
Energy: 1.0564171245378506
Energy: 1.430263965052066
Energy: 1.0564171245387066
Energy: 1.430263965052066
Energy: 1.0564171245391347
Energy: 1.0881260586404746
Energy: 1.1653267677161498
Energy: 1.0881260586396186
Energy: 1.1653267677161498
Energy: 1.0881260586396186
Energy: 1.1653267677161498
Energy: 1.024880676217642
Energy: 1.473416106544143
Energy: 1.024880676216786
Energy: 1.4734161065462832
Energy: 1.024880676218498
Energy: 1.4734161065437148
Energy: 1.469737051112851
Energy: 1.2666481188897312
Energy: 1.469737051112851
Energy: 1.1910550615013908
Energy: 1.469737051112423
Energy: 1.2414459393108972
Energy: 1.0248670242220155
Energy: 1.4740504005014932
Energy: 1.0248670242220155
Energy: 1.4740504005014932
Energy: 1.0248670242215874
Energy: 1.4740504005014932
Energy: 1.0884559751857426
Energy: 1.1653753263896132
Energy: 1.0884559751861702
Energy: 1.1653753263896132
Energy: 1.0884559751861702
Energy: 1.1653753263896132
Energy: 1.4303713265629752
Energy: 1.05686410260366
Energy: 1.4303713265634033
Energy: 1.0568641026010919
Energy: 1.4303713265629752
Energy: 1.056864102602804
Energy: 1.3271463265969266
Energy: 1.2463607119300713
Energy: 1.3271463265969266
Energy: 1.2463607119304994
Energy: 1.3271463265964984
Energy: 1.2463607119300713
Energy: 1.0752663200593007
Energy: 1.2298800257741977
Energy: 1.0752663200593007
Energy: 1.2298800257746259
Energy: 1.0752663200593007
Energy: 1.2298800257741977
Energy: 1.2616447510453774
Energy: 1.2991520434999009
Energy: 1.2616447510449493
Energy: 1.2991520434999009
Energy: 1.2616447510466615
Energy: 1.2991520435003292
Energy: 1.3173525132019588
Energy: 1.1908915411224477
Energy: 1.3173525132006745
Energy: 1.1908915411228755
Energy: 1.3173525132023869
Energy: 1.1908915411228755
Energy: 1.149144861681562
Energy: 1.1728565631465484
Energy: 1.149144861680706
Energy: 1.1728565631465484
Energy: 1.1491448616811342
Energy: 1.172856563146976
Energy: 1.1023602252066038
Energy: 1.0602783795248123
Energy: 1.1023602252066038
Energy: 1.0602783795248123
Energy: 1.1023602252070315
Energy: 1.0602783795248123
Energy: 1.2073284242238829
Energy: 1.4844656530402018
Energy: 1.207328424225167
Energy: 1.4844656530397742
Energy: 1.207328424227307
Energy: 1.484465653041058
Energy: 1.3907720916446935
Energy: 1.1608284898880692
Energy: 1.3907720916438375
Energy: 1.160828489887641
Energy: 1.3907720916442654
Energy: 1.160828489887641
Energy: 1.0284368721360093
Energy: 1.2553066181592611
Energy: 1.0284368721360093
Energy: 1.2553066181588721
Energy: 1.0284368721360093
Energy: 1.2553066181588721
Energy: 1.1491283020057945
Energy: 1.2621992614164932
Energy: 1.1491283020057945
Energy: 1.2621992614156372
Energy: 1.1491283020066507
Energy: 1.2621992614169213
Energy: 1.2238571966593197
Energy: 1.2652206960425896
Energy: 1.2238571966593197
Energy: 1.2652206349657462
Energy: 1.2238571966593197
Energy: 1.1955037717655945
Energy: 1.2248663598791687
Energy: 1.161081100352963
Energy: 1.2248663598791687
Energy: 1.1610811003538193
Energy: 1.2248663598791687
Energy: 1.161081100352963
Energy: 1.1037329326409813
Energy: 1.055755450626439
Energy: 1.1037329326409813
Energy: 1.055755450627295
Energy: 1.1037329326409813
Energy: 1.055755450626867
Energy: 1.0758594593874566
Energy: 1.500201879556287
Energy: 1.0758594593874566
Energy: 1.500201879555003
Energy: 1.0758594593870285
Energy: 1.500201879555003
Energy: 1.2643208876369754
Energy: 1.1426772239357117
Energy: 1.2643208876335512
Energy: 1.1426772239361396
Energy: 1.2643208876361194
Energy: 1.142677223936996
Energy: 1.2634760569618766
Energy: 1.2033826317857832
Energy: 1.2634760569618766
Energy: 1.2033826317857832
Energy: 1.2634760569618766
Energy: 1.2033826317857832
Energy: 1.2654571548104592
Energy: 1.1476514194769987
Energy: 1.2654571548117433
Energy: 1.1476514194769987
Energy: 1.265457154810887
Energy: 1.1476514194774265
Energy: 1.0758793650247611
Energy: 1.5001920466451166
Energy: 1.0758793650243332
Energy: 1.5001920466451166
Energy: 1.0758793650247611
Energy: 1.5001920466451166
Energy: 1.1037456675290926
Energy: 1.0559705148750513
Energy: 1.1037456675295205
Energy: 1.0559705148750513
Energy: 1.1037456675295205
Energy: 1.0559705148750513
Energy: 1.2248720957896846
Energy: 1.1610820095988206
Energy: 1.2248720957896846
Energy: 1.1610820095988206
Energy: 1.2248720957896846
Energy: 1.1610820095992487

minimum gb energy = 1.0248670242215874 eV
minimum distance =  2.301675194817 Angstroms
sigma value = 57


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

Energy: 0.5503070221385327
Energy: 0.5628653974892308
Energy: 0.5503070221385327
Energy: 0.5628653974863077
Energy: 0.5503070221385327
Energy: 0.562865397487282
Energy: 0.710114109908393
Energy: 0.551100884957574
Energy: 0.710114109908393
Energy: 0.5511008849565996
Energy: 0.7101141099093673
Energy: 0.5511008849565996
Energy: 0.6178657045474113
Energy: 0.6811441180028834
Energy: 0.6178657045474113
Energy: 0.6811441180019091
Energy: 0.6178657045474113
Energy: 0.6811441180028834
Energy: 0.562728451012528
Energy: 0.5501954640055879
Energy: 0.562728451012528
Energy: 0.5501954640075367
Energy: 0.5627284510135023
Energy: 0.5501954640055879
Energy: 0.7106033247978174
Energy: 0.7160207017913008
Energy: 0.7106033247978174
Energy: 0.7160207017903264
Energy: 0.7106033247978174
Energy: 0.7160207017913008
Energy: 0.5503991550727445
Energy: 0.6171399356455989
Energy: 0.5503991550727445
Energy: 0.6171399356455989
Energy: 0.5503991550727445
Energy: 0.6171399356455989
Energy: 0.5505227753273655
Energy: 0.6170458911542087
Energy: 0.5505227753273655
Energy: 0.6170458911542087
Energy: 0.5505227753254167
Energy: 0.6170458911542087
Energy: 0.7106896035869439
Energy: 0.7159637145579852
Energy: 0.7106896035879183
Energy: 0.7159637145579852
Energy: 0.7106896035869439
Energy: 0.7159637145579852
Energy: 0.562724542695142
Energy: 0.550159130254272
Energy: 0.5627245426941677
Energy: 0.550159130254272
Energy: 0.562724542695142
Energy: 0.5501591302552463
Energy: 0.6178314718346303
Energy: 0.6812009222927935
Energy: 0.617831471836579
Energy: 0.6812009222927935
Energy: 0.617831471836579
Energy: 0.6812009222927935
Energy: 0.7102016456385987
Energy: 0.5510641761149402
Energy: 0.7102016456376243
Energy: 0.5510641761149402
Energy: 0.7102016456395731
Energy: 0.5510641761159144
Energy: 0.5503070221385327
Energy: 0.5628653974892308
Energy: 0.5503070221385327
Energy: 0.5628653974892308
Energy: 0.5503070221385327
Energy: 0.5628653974863077
Energy: 0.710114109908393
Energy: 0.5511008849565996
Energy: 0.710114109908393
Energy: 0.5511008849565996
Energy: 0.710114109908393
Energy: 0.5511008849565996
Energy: 0.6178657045474113
Energy: 0.6811441180038579
Energy: 0.6178657045474113
Energy: 0.6811441180019091
Energy: 0.6178657045474113
Energy: 0.6811441180019091
Energy: 0.5627284510135023
Energy: 0.550195464008511
Energy: 0.562728451012528
Energy: 0.5501954640075367
Energy: 0.562728451012528
Energy: 0.5501954640075367
Energy: 0.7106033247978174
Energy: 0.7160207017903264
Energy: 0.7106033247978174
Energy: 0.7160207017903264
Energy: 0.7106033247978174
Energy: 0.7160207017903264
Energy: 0.5503991550727445
Energy: 0.6171399356455989
Energy: 0.5503991550727445
Energy: 0.6171399356465733
Energy: 0.5503991550727445
Energy: 0.6171399356455989
Energy: 0.5505227753244424
Energy: 0.6170458911542087
Energy: 0.5505227753254167
Energy: 0.6170458911542087
Energy: 0.5505227753283398
Energy: 0.6170458911542087
Energy: 0.7106896035869439
Energy: 0.7159637145579852
Energy: 0.7106896035869439
Energy: 0.7159637145579852
Energy: 0.7106896035869439
Energy: 0.7159637145579852

minimum gb energy = 0.550159130254272 eV
minimum distance =  2.4063726706337 Angstroms
sigma value = 11


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

Energy: 1.1092090285121567
Energy: 1.0890675640711314
Energy: 1.1092090285114429
Energy: 1.0890675640704177
Energy: 1.1092090285121567
Energy: 1.0890675640711314
Energy: 1.2005719442560712
Energy: 1.116868061775759
Energy: 1.200571944256785
Energy: 1.116868061775759
Energy: 1.2005719442553575
Energy: 1.116868061775759
Energy: 1.152562977876989
Energy: 1.5799381737031384
Energy: 1.1525629778762752
Energy: 1.579938173703852
Energy: 1.1525629778762752
Energy: 1.5799381737031384
Energy: 1.212631109863949
Energy: 0.9424218807346397
Energy: 1.2126311098575255
Energy: 0.9424218807346397
Energy: 1.2126311098810787
Energy: 0.9424218807353535
Energy: 1.0582793822110168
Energy: 0.9036242270061701
Energy: 1.0582793822110168
Energy: 0.9036242270061701
Energy: 1.0582793822110168
Energy: 0.9036242270061701
Energy: 1.0806630371829644
Energy: 1.1970825507929457
Energy: 1.0806630371829644
Energy: 1.1970825507929457
Energy: 1.0806630371829644
Energy: 1.1970825507922318
Energy: 0.898630494903844
Energy: 1.2827065324955051
Energy: 0.8986304949045577
Energy: 1.2827065324955051
Energy: 0.8986304949045577
Energy: 1.2827065324955051
Energy: 1.1169962547551735
Energy: 0.8688062792184951
Energy: 1.1169962547558874
Energy: 0.8688062792192087
Energy: 1.1169962547558874
Energy: 0.8688062792192087
Energy: 1.1135789105855065
Energy: 0.8727645629008798
Energy: 1.1135789105847929
Energy: 0.872764562900166
Energy: 1.1135789105855065
Energy: 0.8727645629008798
Energy: 0.8889746857088933
Energy: 1.3597035731238816
Energy: 0.8889746857081796
Energy: 1.3597035731238816
Energy: 0.8889746857088933
Energy: 1.3597035731224538
Energy: 1.093935713028178
Energy: 1.3707083753945029
Energy: 1.0939357130267506
Energy: 1.370708375395217
Energy: 1.0939357130274643
Energy: 1.370708375395217
Energy: 1.0606545884124179
Energy: 0.9042100221651571
Energy: 1.0606545884124179
Energy: 0.9042100221651571
Energy: 1.0606545884124179
Energy: 0.9042100221658708
Energy: 1.1515764847795784
Energy: 0.948645429859616
Energy: 1.151576484780292
Energy: 0.9486454298603296
Energy: 1.151576484780292
Energy: 0.9486454298589021
Energy: 1.2126031140922575
Energy: 1.549046161968436
Energy: 1.2126031140915436
Energy: 1.549046161968436
Energy: 1.2126031140922575
Energy: 1.549046161968436
Energy: 1.1990101477327932
Energy: 1.1132517097007657
Energy: 1.1990101477327932
Energy: 1.1132517097007657
Energy: 1.1990101477327932
Energy: 1.1132517097007657
Energy: 1.1098690191080904
Energy: 1.1271579436440704
Energy: 1.109869019108804
Energy: 1.1271579436433568
Energy: 1.1098690191073768
Energy: 1.1271579436433568
Energy: 1.0299800211080783
Energy: 1.0550053825360979
Energy: 1.0299800211080783
Energy: 1.0550053825353842
Energy: 1.0299800211080783
Energy: 1.0550053825353842
Energy: 1.3948564781723953
Energy: 1.5401200136324635
Energy: 1.3948564781723953
Energy: 1.540120013633891
Energy: 1.3948564781723953
Energy: 1.5401200136331774
Energy: 1.2984840465874616
Energy: 0.9385468749368351
Energy: 1.2984840465881753
Energy: 0.9385468749354077
Energy: 1.2984840465874616
Energy: 0.9385468749361215
Energy: 1.060384057151021
Energy: 1.0333984241467606
Energy: 1.060384057151021
Energy: 1.0333984241460465
Energy: 1.0603840571503071
Energy: 1.0333984241460465
Energy: 0.8902643611349222
Energy: 1.180267117217093
Energy: 0.8902643611342087
Energy: 1.180267117217093
Energy: 0.8902643611342087
Energy: 1.180267117217093
Energy: 1.1754234746554137
Energy: 1.2826372626456002
Energy: 1.175423474657555
Energy: 1.2826372626456002
Energy: 1.1754234746582686
Energy: 1.2826372626456002
Energy: 1.2325210778739961
Energy: 1.0512245520818704
Energy: 1.2325210778732822
Energy: 1.0512245520818704
Energy: 1.2325210778747098
Energy: 1.0512245520818704
Energy: 1.1153161793880157
Energy: 0.9778736047044796
Energy: 1.1153161793880157
Energy: 0.9778736047038308
Energy: 1.1153161793880157
Energy: 0.9778736047038308
Energy: 0.8903042328677746
Energy: 1.3558167042428835
Energy: 0.8903042328684234
Energy: 1.3558167042435973
Energy: 0.8903042328691372
Energy: 1.3558167042428835
Energy: 1.6287927117120284
Energy: 1.1778096130023545
Energy: 1.6287927117120284
Energy: 1.1778096130030682
Energy: 1.6287927117120284
Energy: 1.1778096130052094

minimum gb energy = 0.8688062792184951 eV
minimum distance =  2.29198153850179 Angstroms
sigma value = 41


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

Energy: 1.2538197956657997
Energy: 1.049866413770226
Energy: 1.2538197956657997
Energy: 1.0498664137707885
Energy: 1.2538197956657997
Energy: 1.049866413770226
Energy: 1.237491313284832
Energy: 1.283159613689249
Energy: 1.237491313284832
Energy: 1.283159613689249
Energy: 1.237491313284832
Energy: 1.283159613689249
Energy: 1.5364128702887554
Energy: 1.4604977500738108
Energy: 1.5364128702887554
Energy: 1.4604977500726857
Energy: 1.536412870289318
Energy: 1.460497750070998
Energy: 1.1670866645369027
Energy: 0.9850159892465372
Energy: 1.1670866645385392
Energy: 0.9850159892470998
Energy: 1.1670866645385392
Energy: 0.9850159892465372
Energy: 0.9635811880863752
Energy: 1.0422833651016328
Energy: 0.9635811880863752
Energy: 1.0422833651010703
Energy: 0.9635811880869377
Energy: 1.0422833651010703
Energy: 1.2242641774771335
Energy: 1.4569317932046106
Energy: 1.2242641774776961
Energy: 1.4569317932046106
Energy: 1.2242641774776961
Energy: 1.4569317932046106
Energy: 0.9862566680472953
Energy: 1.3727377052231144
Energy: 0.9862566680472953
Energy: 1.3727377052231144
Energy: 0.9862566680472953
Energy: 1.372737705222552
Energy: 0.9639307184220179
Energy: 0.9859451996529293
Energy: 0.9639307184220179
Energy: 0.9859451996534918
Energy: 0.9639307184220179
Energy: 0.9859451996529293
Energy: 0.9779440583763492
Energy: 1.0245114324120235
Energy: 0.9779440583763492
Energy: 1.0245114324120235
Energy: 0.9779440583757869
Energy: 1.0245114324114608
Energy: 1.0531119317796875
Energy: 1.483287823583455
Energy: 1.0531119317796875
Energy: 1.4832878235828926
Energy: 1.05311193178025
Energy: 1.483287823583455
Energy: 1.0535449144889253
Energy: 1.159056201569884
Energy: 1.053544914489488
Energy: 1.1590562015704466
Energy: 1.053544914489488
Energy: 1.159056201569884
Energy: 0.9516555237832716
Energy: 1.1632744080109427
Energy: 0.951655523783834
Energy: 1.1632744080115052
Energy: 0.9516555237832716
Energy: 1.1632744080115052
Energy: 0.9640863711629356
Energy: 1.0237616323238758
Energy: 0.9640863711646233
Energy: 1.0237616323238758
Energy: 0.9640863711646233
Energy: 1.0237616323244385
Energy: 0.9284942370554659
Energy: 1.385952143660766
Energy: 0.9284942370549033
Energy: 1.385952143660766
Energy: 0.9284942370554659
Energy: 1.385952143660766
Energy: 1.2217387779857416
Energy: 1.4616903914079047
Energy: 1.2217387779857416
Energy: 1.4616903914079047
Energy: 1.2217387779863043
Energy: 1.4616903914079047
Energy: 0.9262338506962438
Energy: 1.1701403891409046
Energy: 0.9262338506956812
Energy: 1.1701403891409046
Energy: 0.9262338506962438
Energy: 1.170140389141467
Energy: 0.9728860546315853
Energy: 1.0232097481915718
Energy: 0.9728860546315853
Energy: 1.0232097481915718
Energy: 0.9728860546310227
Energy: 1.0232097481915718
Energy: 1.2149033956815503
Energy: 1.7720442941438226
Energy: 1.2149033956815503
Energy: 1.7720442941438226
Energy: 1.2149033956815503
Energy: 1.772044294144385
Energy: 1.2371500096475323
Energy: 1.2764144097164896
Energy: 1.2371500096475323
Energy: 1.2764144097164896
Energy: 1.2371500096480947
Energy: 1.2764144097164896
Energy: 1.0528251716492076
Energy: 1.3032238526455286
Energy: 1.0528251716492076
Energy: 1.3032238526455286
Energy: 1.0528251716492076
Energy: 1.3032238526455286
Energy: 0.9803449223604284
Energy: 1.2369263573309408
Energy: 0.9803449223604284
Energy: 1.2369263573309408
Energy: 0.9803449223609909
Energy: 1.2369263573309408
Energy: 1.1173589841949478
Energy: 1.6084111021529355
Energy: 1.1173589841949478
Energy: 1.6084111021529355
Energy: 1.1173589841955105
Energy: 1.6084111021529355
Energy: 1.1314936090610135
Energy: 0.986793642219225
Energy: 1.131493609061576
Energy: 0.9867936422186625
Energy: 1.1314936090610135
Energy: 0.9867936422186625
Energy: 0.9737877077344692
Energy: 1.291534394791294
Energy: 0.9737877077355943
Energy: 1.291534394791294
Energy: 0.9737877077350318
Energy: 1.2915343947918565
Energy: 0.9349367822941027
Energy: 1.2928716522124437
Energy: 0.9349367822935402
Energy: 1.2928716522113188
Energy: 0.9349367822935402
Energy: 1.2928716522124437
Energy: 0.9862150154255379
Energy: 0.9869990139311864
Energy: 0.9862150154261005
Energy: 0.9869990139306238
Energy: 0.986215015426663
Energy: 0.9869990139306238
Energy: 0.9700973903813999
Energy: 0.9853777008784492
Energy: 0.9700973903808373
Energy: 0.9853777008784492
Energy: 0.9700973903808373
Energy: 0.9853777008784492
Energy: 0.9755113120648284
Energy: 1.2354082387024903
Energy: 0.9755113120648284
Energy: 1.2354082387024903
Energy: 0.9755113120648284
Energy: 1.2354082387024903
Energy: 1.0532529148256835
Energy: 1.2980125668518063
Energy: 1.0532529148256835
Energy: 1.2980125668506812
Energy: 1.0532529148262462
Energy: 1.2980125668512439
Energy: 1.4522725872950981
Energy: 0.9273953193019172
Energy: 1.4522725872950981
Energy: 0.9273953193019172
Energy: 1.4522725872950981
Energy: 0.9273953193019172
Energy: 0.9538763146051245
Energy: 1.161167201541445
Energy: 0.9538763146051245
Energy: 1.161167201541445
Energy: 0.9538763146051245
Energy: 1.161167201541445
Energy: 0.994186736725016
Energy: 1.0149952042216128
Energy: 0.994186736725016
Energy: 1.0149952042216128
Energy: 0.994186736725016
Energy: 1.0149952042221755
Energy: 0.9343542144196155
Energy: 1.1683950507163388
Energy: 0.9343542144196155
Energy: 1.1683950507163388
Energy: 0.9343542144196155
Energy: 1.1683950507163388

minimum gb energy = 0.9262338506956812 eV
minimum distance =  2.33041231401347 Angstroms
sigma value = 33


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

Energy: 1.1716087757954217
Energy: 1.0830508000917685
Energy: 1.125959608257741
Energy: 1.08305080009062
Energy: 1.1716087757954217
Energy: 1.0830508000909786
Energy: 1.19109974766901
Energy: 1.0419099267027028
Energy: 1.1910997476682204
Energy: 1.0419099267019132
Energy: 1.191099747671379
Energy: 1.0419099267019132
Energy: 1.6729374095000507
Energy: 1.5565894920752357
Energy: 1.6729374094992613
Energy: 1.556589492074805
Energy: 1.6729374094996199
Energy: 1.5565894920752357
Energy: 1.423211858458459
Energy: 1.0568596937816819
Energy: 1.423211858458459
Energy: 1.0568596937821126
Energy: 1.423211858458459
Energy: 1.0568596937816819
Energy: 1.09345157656758
Energy: 1.054445809643057
Energy: 1.0934894991059174
Energy: 1.054445809643057
Energy: 1.09345157656758
Energy: 1.0544458096442775
Energy: 1.369419106566416
Energy: 1.0392223016824287
Energy: 1.369419106566416
Energy: 1.0392223016832183
Energy: 1.369419106566775
Energy: 1.0392223016828595
Energy: 1.0836206943128213
Energy: 1.3103102157949107
Energy: 1.0836206943128213
Energy: 1.3103102157925421
Energy: 1.0836206943132516
Energy: 1.3103102157929725
Energy: 1.1739540279095866
Energy: 1.1010292263902208
Energy: 1.1739540279111658
Energy: 1.1010292263894312
Energy: 1.1739540279095866
Energy: 1.1010292263894312
Energy: 1.0902533177710918
Energy: 1.1050048723627635
Energy: 1.0902479620362706
Energy: 1.1050048723619739
Energy: 1.0902533177695126
Energy: 1.1050048723627635
Energy: 1.4232170007896328
Energy: 1.0603993943790382
Energy: 1.4232170007907814
Energy: 1.060399394379469
Energy: 1.4232170007899918
Energy: 1.060399394379469
Energy: 1.138204333768132
Energy: 1.3849447459685047
Energy: 1.1382043337673426
Energy: 1.3849447459689352
Energy: 1.1382043337677012
Energy: 1.3849447459685047
Energy: 1.6619884852511262
Energy: 1.0567125795409373
Energy: 1.6619884852503364
Energy: 1.0567125795412962
Energy: 1.6619884852506952
Energy: 1.0567125795409373
Energy: 1.0579119765436118
Energy: 1.0946768754465621
Energy: 1.0579119765439708
Energy: 1.0946768754469927
Energy: 1.0579119765444014
Energy: 1.0946768754449827
Energy: 1.1160681852798946
Energy: 1.133053720267379
Energy: 1.1160681852802532
Energy: 1.133053720267379
Energy: 1.1160681852798946
Energy: 1.1330537202681685
Energy: 1.102064305128155
Energy: 1.0320955335661814
Energy: 1.1020643051273653
Energy: 1.0320955335666122
Energy: 1.102064305128155
Energy: 1.0320955335661814
Energy: 1.0926084647619345
Energy: 1.3599817458848493
Energy: 1.0926084647611447
Energy: 1.3599817458848493
Energy: 1.0926084647607859
Energy: 1.3599817458848493
Energy: 1.552076852784882
Energy: 1.0795222679560288
Energy: 1.552076852785241
Energy: 1.0795222679560288
Energy: 1.552076852784882
Energy: 1.0795222679560288
Energy: 1.054839019121503
Energy: 1.1036670434638782
Energy: 1.054844657504597
Energy: 1.1036670434643086
Energy: 1.0548390191211443
Energy: 1.1036670434643086
Energy: 1.4086259245847361
Energy: 1.4195168488403878
Energy: 1.4086259245847361
Energy: 1.419516848840029
Energy: 1.4086259245859565
Energy: 1.4195168488408185
Energy: 1.3503807550933835
Energy: 1.0730668326092372
Energy: 1.3503807550937423
Energy: 1.0730668326092372
Energy: 1.3503807550937423
Energy: 1.0730668326095965
Energy: 1.0468543231527403
Energy: 1.1270212770325663
Energy: 1.0468543231523815
Energy: 1.1270212770317765
Energy: 1.046854323153171
Energy: 1.1270212770325663
Energy: 1.0323637988509655
Energy: 1.1915269460023539
Energy: 1.0323624409929117
Energy: 1.1915269460023539
Energy: 1.0323637988506067
Energy: 1.1915269460023539
Energy: 1.4921986706253556
Energy: 1.3528353936840274
Energy: 1.4921986706253556
Energy: 1.352835393684458
Energy: 1.4921986706257866
Energy: 1.352835393684458
Energy: 1.061098641694538
Energy: 1.142551433113132
Energy: 1.0610986416953276
Energy: 1.142551433113132
Energy: 1.0610986416953276
Energy: 1.142551433113132
Energy: 1.0545175756515206
Energy: 1.07912183760099
Energy: 1.0545175756531
Energy: 1.0791218376005594
Energy: 1.0545175756518799
Energy: 1.07912183760099
Energy: 1.0335238760909375
Energy: 1.3686396341542164
Energy: 1.0335238760909375
Energy: 1.3686396341538574
Energy: 1.0335238760912966
Energy: 1.3686396341542164
Energy: 1.1396779158098846
Energy: 1.086316463297888
Energy: 1.1396779158095256
Energy: 1.0863164632982467
Energy: 1.1396779158098846
Energy: 1.0863164632986775
Energy: 1.1690944570112534
Energy: 1.054004512081304
Energy: 1.1191763264394368
Energy: 1.0540045120816628
Energy: 1.1690944570112534
Energy: 1.0540045120816628
Energy: 1.1060227653129127
Energy: 1.0926243452580364
Energy: 1.1060227653133434
Energy: 1.0926243451960884
Energy: 1.1060227653129127
Energy: 1.0926243452260933
Energy: 1.0571841396661992
Energy: 1.4217905020960875
Energy: 1.0571841396665582
Energy: 1.4217905020956572
Energy: 1.0571841396665582
Energy: 1.4217905020964465
Energy: 1.050579959773703
Energy: 1.0504272351238741
Energy: 1.0505799597749237
Energy: 1.050427235124664
Energy: 1.0505799597717653
Energy: 1.0504272351242332
Energy: 1.0616270968553343
Energy: 1.658885874292351
Energy: 1.061334759642892
Energy: 1.6588858742919204
Energy: 1.0616270968556931
Energy: 1.6588858742915613
Energy: 1.6244863880924367
Energy: 1.0780593189611782
Energy: 1.6244863880927958
Energy: 1.0780593189603886
Energy: 1.6244863880924367
Energy: 1.0780593189607472
Energy: 1.128958756005331
Energy: 1.110175974020672
Energy: 1.1289587560057615
Energy: 1.1101759740211026
Energy: 1.128958756005331
Energy: 1.110175974020672
Energy: 1.0876074830240536
Energy: 1.1097989742026844
Energy: 1.087607483023264
Energy: 1.1097989742026844
Energy: 1.0876074830236226
Energy: 1.1097989742030432
Energy: 1.3446090583358195
Energy: 1.117430701617347
Energy: 1.344390858303945
Energy: 1.117430701617347
Energy: 1.3446090583358195
Energy: 1.1174307016169165
Energy: 1.0611295203134934
Energy: 1.606952076383058
Energy: 1.0611295203134934
Energy: 1.606952076383058
Energy: 1.0611295203130628
Energy: 1.6069520763826988
Energy: 1.102658547966661
Energy: 1.0501045242656757
Energy: 1.102658547966661
Energy: 1.0501045242656757
Energy: 1.102658547966661
Energy: 1.0501045242652451
Energy: 1.1037268281024728
Energy: 1.4079107802985968
Energy: 1.1037248971032518
Energy: 1.407910780298238
Energy: 1.1037268281029036
Energy: 1.4079107802985968
Energy: 1.0564140231893862
Energy: 1.3521328752882023
Energy: 1.056414023189027
Energy: 1.3521328752877715
Energy: 1.056414023189027
Energy: 1.3521328752882023
Energy: 1.1193272850354037
Energy: 1.0548587617894005
Energy: 1.1193272850354037
Energy: 1.0548587617897593
Energy: 1.1193272850349731
Energy: 1.0548587617897593
Energy: 1.1913158332840748
Energy: 1.0355594093248583
Energy: 1.191315833285295
Energy: 1.0355594093248583
Energy: 1.1913158332864433
Energy: 1.0355594093248583
Energy: 1.081922779677689
Energy: 1.3560297422521954
Energy: 1.0819227796784785
Energy: 1.3560297422529852
Energy: 1.081922779679268
Energy: 1.3560297422526262
Energy: 1.0036989907880252
Energy: 1.082937562947919
Energy: 1.0036989907860152
Energy: 1.0829375629483498
Energy: 1.003698990786446
Energy: 1.0829375629483498
Energy: 1.0611771993414032
Energy: 1.1045894660206377
Energy: 1.061178288759349
Energy: 1.1045894660202067
Energy: 1.0611771993409724
Energy: 1.1045894660202067
Energy: 1.4099313228156973
Energy: 1.2342591829424523
Energy: 1.4099313228161283
Energy: 1.2342591829424523
Energy: 1.4099313228137595
Energy: 1.234259182943242
Energy: 1.0327486941173716
Energy: 1.1385996847463682
Energy: 1.0327486941178021
Energy: 1.1385996847475166
Energy: 1.0327486941170125
Energy: 1.1385996847479474

minimum gb energy = 1.0036989907860152 eV
minimum distance =  2.32383798199127 Angstroms
sigma value = 67


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

Energy: 1.0992755741604985
Energy: 1.0204672822230527
Energy: 1.0992755741604985
Energy: 1.0204672822230527
Energy: 1.0992755741604985
Energy: 1.0204672822230527
Energy: 1.0678761341076628
Energy: 0.9920448045647855
Energy: 1.0678761341076628
Energy: 0.992044804567424
Energy: 1.0678761341076628
Energy: 0.992044804567424
Energy: 1.041344636404216
Energy: 1.285963961079373
Energy: 1.041344636404216
Energy: 1.285963961079373
Energy: 1.041344636404216
Energy: 1.285963961079373
Energy: 1.0678891511916047
Energy: 0.9920557284660572
Energy: 1.0678891511916047
Energy: 0.9920557284660572
Energy: 1.0678891511916047
Energy: 0.9920557284660572
Energy: 1.0992755741604985
Energy: 1.0204672822230527
Energy: 1.09927557415786
Energy: 1.0204672822230527
Energy: 1.09927557415786
Energy: 1.0204672822230527
Energy: 1.0678761341076628
Energy: 0.992044804567424
Energy: 1.0678761341076628
Energy: 0.992044804567424
Energy: 1.0678761341076628
Energy: 0.992044804567424
Energy: 1.041344636404216
Energy: 1.285963961079373
Energy: 1.041344636404216
Energy: 1.285963961079373
Energy: 1.041344636404216
Energy: 1.285963961079373

minimum gb energy = 0.9920448045647855 eV
minimum distance =  2.31967193156951 Angstroms
sigma value = 3


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

Energy: 1.591374711542508
Energy: 1.1546250417327244
Energy: 1.5913747115460988
Energy: 1.1546250417327244
Energy: 1.5913747115460988
Energy: 1.1546250417327244
Energy: 1.180259453756352
Energy: 1.0834142427208158
Energy: 1.180259453756352
Energy: 1.0834142427208158
Energy: 1.1802594537599427
Energy: 1.0834142427208158
Energy: 1.2818402216521503
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Energy: 1.2233824058870462
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Energy: 1.4211334263575874
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Energy: 1.2837938073510964
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Energy: 1.2139830793906201
Energy: 1.1109334341134913
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Energy: 1.1109334341099006
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Energy: 1.4196773982649988
Energy: 1.1116989118455316
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Energy: 1.162615558992907
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Energy: 1.1226347215380208
Energy: 1.296020440484001
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Energy: 1.296020440484001
Energy: 1.1226347215416115
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Energy: 1.1719023364315158
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Energy: 1.0841151065197099
Energy: 1.3476677233586196
Energy: 1.0841151065197099
Energy: 1.3476677233586196
Energy: 1.0841151065197099
Energy: 1.3476677233586196
Energy: 1.276464500153622
Energy: 1.1808392511211605
Energy: 1.276464500153622
Energy: 1.1808392511211605
Energy: 1.276464500153622
Energy: 1.1808392511211605
Energy: 1.1068218995132872
Energy: 1.3465722021595798
Energy: 1.1068218995132872
Energy: 1.3465722021595798
Energy: 1.1068218995132872
Energy: 1.3465722021595798
Energy: 1.5635229307149012
Energy: 1.0784503191779555
Energy: 1.5635229307149012
Energy: 1.0784503191779555
Energy: 1.5635229307149012
Energy: 1.0784503191779555
Energy: 1.1656395421738068
Energy: 1.4508341862831762
Energy: 1.1656395421738068
Energy: 1.4508341862831762
Energy: 1.1656395421738068
Energy: 1.4508341862831762
Energy: 1.3106687438719298
Energy: 1.0847269788477207
Energy: 1.3106687438719298
Energy: 1.0847269788477207
Energy: 1.3106687438719298
Energy: 1.0847269788477207
Energy: 1.2159336759974564
Energy: 1.1622335826381724
Energy: 1.215933675990275
Energy: 1.1622335826381724
Energy: 1.2159336759938657
Energy: 1.1622335826381724
Energy: 1.3480400644772292
Energy: 1.0916130182532187
Energy: 1.34804006448082
Energy: 1.0916130182532187
Energy: 1.3480400644772292
Energy: 1.0916130182532187
Energy: 1.2358957590640174
Energy: 1.3017459847018915
Energy: 1.2358957590640174
Energy: 1.3017459847018915
Energy: 1.2358957590640174
Energy: 1.3017459846983008
Energy: 1.2258674537441083
Energy: 1.1674190167707634
Energy: 1.2258674537441083
Energy: 1.1674190167707634
Energy: 1.2258674537441083
Energy: 1.1674190167671727
Energy: 1.1066355283922298
Energy: 1.2323222203135349
Energy: 1.1066355283922298
Energy: 1.2323222203135349
Energy: 1.1066355283922298
Energy: 1.2323222203099442
Energy: 1.184225135421339
Energy: 1.1862963170257255
Energy: 1.1842251354177484
Energy: 1.1862963170221348
Energy: 1.184225135471608
Energy: 1.1862963170221348
Energy: 1.1656801587076602
Energy: 1.1767183211859003
Energy: 1.1656801587040695
Energy: 1.176718321189491
Energy: 1.1656801587040695
Energy: 1.1767183211823098

minimum gb energy = 1.0730764956529433 eV
minimum distance =  2.2840523094614 Angstroms
sigma value = 81


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

Energy: 1.5988557706015565
Energy: 1.2386155282224616
Energy: 1.4355646535693998
Energy: 1.2386155282224616
Energy: 1.5988557706015565
Energy: 1.2386155282224616
Energy: 1.235242526968448
Energy: 1.2503661812355653
Energy: 1.235242526968448
Energy: 1.4000006739595043
Energy: 1.235242526968448
Energy: 1.250366181236058
Energy: 1.1627952717766195
Energy: 1.046758470245445
Energy: 1.3135291251501864
Energy: 1.046758470245445
Energy: 1.1627952717761267
Energy: 1.046758470245938
Energy: 1.122257283008856
Energy: 1.2789283826217583
Energy: 1.122257283008856
Energy: 1.2789283826207727
Energy: 1.1222572830083632
Energy: 1.278928382623237
Energy: 1.2765664582481664
Energy: 1.2006888683054804
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Energy: 1.2006888683054804
Energy: 1.276566458248659
Energy: 1.2006888683054804
Energy: 1.1778388068894443
Energy: 1.1689713818933778
Energy: 1.1778388068894443
Energy: 1.0419828124471993
Energy: 1.1778388068889514
Energy: 1.1689713818933778
Energy: 1.0151075605047717
Energy: 1.211877875682965
Energy: 1.0151075605037863
Energy: 1.048148889659056
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Energy: 1.2010999245675242
Energy: 1.0418637496041263
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Energy: 1.169247818233339
Energy: 1.2714520796744635
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Energy: 1.236760634137374
Energy: 1.367142281503614
Energy: 1.236760634137374
Energy: 1.3667761783882966
Energy: 1.2367606341378667
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Energy: 1.270230951340959
Energy: 1.1756346829469668
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Energy: 1.1756346829474598
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Energy: 1.1756346829479525
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Energy: 1.1272940395346596
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Energy: 1.1272940395351525
Energy: 1.3000868866837922
Energy: 1.1272940395351525
Energy: 1.1727877169694594
Energy: 1.1234556098775639
Energy: 1.1727877169694594
Energy: 1.1234556098770712
Energy: 1.172787716969952
Energy: 1.1234556098770712
Energy: 1.37384159393235
Energy: 1.042330152200636
Energy: 1.37384159393235
Energy: 1.169264285072087
Energy: 1.37384159393235
Energy: 1.0423301522011288
Energy: 1.195480930538496
Energy: 1.3182019797943512
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Energy: 1.3182019797938582
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Energy: 1.3182019797938582
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Energy: 1.2839684768967228
Energy: 1.2786437283766148
Energy: 1.3690812403861377
Energy: 1.2786437283756291
Energy: 1.3690812403861377
Energy: 1.2786437283741507
Energy: 1.3690812403861377
Energy: 1.1002903731882379
Energy: 1.1745575256470664
Energy: 1.1002903731882379
Energy: 1.1745575256475593
Energy: 1.100290373187745
Energy: 1.1745575256470664
Energy: 1.2326729925762718
Energy: 1.2027355359801597
Energy: 1.0427862161166965
Energy: 1.2027355359801597
Energy: 1.2326729925762718
Energy: 1.2027355359806524
Energy: 1.2677125154640125
Energy: 1.016329130724194
Energy: 1.0418196865676947
Energy: 1.016329130724687
Energy: 1.2677125154640125
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Energy: 1.414161111421007
Energy: 1.2591031487772886
Energy: 1.4141611114200214
Energy: 1.2597566441090937
Energy: 1.4141611114200214
Energy: 1.2591031487777813
Energy: 1.2673581072418685
Energy: 1.3232228079859822
Energy: 1.2673581072413755
Energy: 1.3232228079854895
Energy: 1.2673581072418685
Energy: 1.3232228079864752
Energy: 1.301064050742501
Energy: 1.586538719407341
Energy: 1.3010640507415154
Energy: 1.586538719407341
Energy: 1.301064050742501
Energy: 1.586538719407341
Energy: 1.1954060560224933
Energy: 1.1205661773485367
Energy: 1.1954060560224933
Energy: 1.120566177358841
Energy: 1.1954060560224933
Energy: 1.1205661773583482
Energy: 1.2384501278318092
Energy: 1.3931597326238643
Energy: 1.2384501278327948
Energy: 1.0440190718555258
Energy: 1.2384501278327948
Energy: 1.3931597326238643
Energy: 1.1730919157523905
Energy: 1.2359072726947988
Energy: 1.1726934116228067
Energy: 1.2359072726947988
Energy: 1.1730919157528832
Energy: 1.2359072726947988
Energy: 1.2163127629614496
Energy: 1.1298312965327548
Energy: 1.216312762960957
Energy: 1.1308525084604863
Energy: 1.216312762960957
Energy: 1.1298312965327548
Energy: 1.27844675338398
Energy: 1.3010125107374402
Energy: 1.27844675338398
Energy: 1.3010125107374402
Energy: 1.27844675338398
Energy: 1.3010125107374402
Energy: 1.2231437726112009
Energy: 1.259096852510695
Energy: 1.2231437726107082
Energy: 1.2590968525111879
Energy: 1.2231437726112009
Energy: 1.259096852510695
Energy: 1.0418541842718925
Energy: 1.3737783786435076
Energy: 1.169355305158536
Energy: 1.3737783786435076
Energy: 1.0418541842718925
Energy: 1.3737783786435076
Energy: 1.0429701888652487
Energy: 1.013342875748022
Energy: 1.169623003824286
Energy: 1.013342875748022
Energy: 1.042970188864756
Energy: 1.013342875748022
Energy: 1.2941378464592916
Energy: 1.6869111761018336
Energy: 1.2948391679060511
Energy: 1.6869111761013411
Energy: 1.2941378464597844
Energy: 1.6869111761018336
Energy: 1.5450235885169608
Energy: 1.2783638966228004
Energy: 1.5450235885169608
Energy: 1.2783638966213218
Energy: 1.5450235885169608
Energy: 1.2783638966228004
Energy: 1.1744360669868612
Energy: 1.0967794959872024
Energy: 1.1744360669863683
Energy: 1.0967794959886807
Energy: 1.1744360669858755
Energy: 1.0967794959881878
Energy: 1.202820453176393
Energy: 1.0482857966940264
Energy: 1.2028204531759001
Energy: 1.1694919248953617
Energy: 1.2028204531759001
Energy: 1.0482857966940264

minimum gb energy = 1.013342875748022 eV
minimum distance =  2.33843832997885 Angstroms
sigma value = 43


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

Energy: 1.6289644702370316
Energy: 1.1733948018484421
Energy: 1.6289644702370316
Energy: 1.1733948018478368
Energy: 1.6289644702370316
Energy: 1.1733948018478368
Energy: 1.3105181329525228
Energy: 1.0937910141689307
Energy: 1.3105181329525228
Energy: 1.0937910141689307
Energy: 1.3105181329525228
Energy: 1.0937910141701412
Energy: 1.1887092474418806
Energy: 1.3877024359236103
Energy: 1.1887092474418806
Energy: 1.3877024359223997
Energy: 1.2645157459005931
Energy: 1.387702435923005
Energy: 1.2679028250420556
Energy: 1.15757020316685
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Energy: 1.2480733083212892
Energy: 1.223995243313719
Energy: 1.2480733083218947
Energy: 1.223995243313719
Energy: 1.2480733083225
Energy: 1.2239952433131136
Energy: 1.1391356083334676
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Energy: 1.1391356083328623
Energy: 1.169996699528226
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Energy: 1.3024414544094058
Energy: 1.374657754036659
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Energy: 1.1338713310091548
Energy: 1.287114245376944
Energy: 1.1338713310097603
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Energy: 1.1338713310097603
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Energy: 1.371829853899856
Energy: 1.0693943729074458
Energy: 1.3718298539004612
Energy: 1.069394372908051
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Energy: 1.069394372908051
Energy: 1.1537896724827312
Energy: 1.3636921339004322
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Energy: 1.363692133899827
Energy: 1.1537896724827312
Energy: 1.3636921338992216
Energy: 1.3281075602843389
Energy: 1.1092687887265924
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Energy: 1.109268788724171
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Energy: 1.109268788725987
Energy: 1.134822591324188
Energy: 1.2211655925848257
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Energy: 1.2211655925866416
Energy: 1.134822591324188
Energy: 1.2211655925860363
Energy: 1.2913757790396982
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Energy: 1.2913757790403035
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Energy: 1.0719355095552552
Energy: 1.3678830001622806
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Energy: 1.36788300016107
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Energy: 1.36788300016107
Energy: 1.2383765837257372
Energy: 1.2191747956160899
Energy: 1.2383765837245264
Energy: 1.2191747956160899
Energy: 1.2383765837245264
Energy: 1.2191747956160899
Energy: 1.1777710482368102
Energy: 1.2718279263966559
Energy: 1.1777710482368102
Energy: 1.2718279263972614
Energy: 1.1777710482368102
Energy: 1.2718279263966559
Energy: 1.3030829623939533
Energy: 1.093809026496355
Energy: 1.3030829623939533
Energy: 1.093809026496355
Energy: 1.3030829623945586
Energy: 1.093809026496355
Energy: 1.3232360640090866
Energy: 1.1626247236962297
Energy: 1.3232360640072707
Energy: 1.1626247236962297
Energy: 1.323236064007876
Energy: 1.1626247236962297
Energy: 1.36412918650631
Energy: 1.1165937004956714
Energy: 1.36412918650631
Energy: 1.1165937004956714
Energy: 1.36412918650631
Energy: 1.1165937004956714
Energy: 1.3083529158127263
Energy: 1.0942460529611424
Energy: 1.3083529158133318
Energy: 1.0942460529605373
Energy: 1.3083529158133318
Energy: 1.0942460529605373
Energy: 1.1780852299057851
Energy: 1.2230804698716757
Energy: 1.1780852299057851
Energy: 1.2230804698722813
Energy: 1.1780852299057851
Energy: 1.2230804698722813
Energy: 1.3795877591710584
Energy: 1.2516342885795015
Energy: 1.3795877591710584
Energy: 1.2516342885795015
Energy: 1.3795877591710584
Energy: 1.2516342885795015
Energy: 1.0720174639261195
Energy: 1.3455196852809403
Energy: 1.0720174639255142
Energy: 1.3455196852809403
Energy: 1.0720174639261195
Energy: 1.3455196852809403
Energy: 1.2714158755854148
Energy: 1.588229392940519
Energy: 1.2714158755854148
Energy: 1.588229392940519
Energy: 1.2714158755854148
Energy: 1.588229392940519
Energy: 1.1340560063873766
Energy: 1.1421108798894541
Energy: 1.1340560063873766
Energy: 1.1421108798912702
Energy: 1.1340560063873766
Energy: 1.1421108798876383
Energy: 1.3670814143211443
Energy: 1.2676875154910412
Energy: 1.3670814143211443
Energy: 1.2676875154910412
Energy: 1.3670814143217496
Energy: 1.2676875154904361
Energy: 1.2083670344447606
Energy: 1.2474657277676744
Energy: 1.2083670344453659
Energy: 1.247465727767069
Energy: 1.2083670344453659
Energy: 1.2474657277676744
Energy: 1.5319033146186063
Energy: 1.0697305552819398
Energy: 1.531903314618001
Energy: 1.0697305552825453
Energy: 1.5319033146186063
Energy: 1.0697305552819398
Energy: 1.1339803972295857
Energy: 1.2884217498668649
Energy: 1.1339803972295857
Energy: 1.2884217498662593
Energy: 1.1339803972295857
Energy: 1.2884217498668649
Energy: 1.226813571585167
Energy: 1.288504850940569
Energy: 1.226813571585167
Energy: 1.2885048509399637
Energy: 1.226813571585167
Energy: 1.288504850940569
Energy: 1.277065099625833
Energy: 1.1932613586562573
Energy: 1.277065099625833
Energy: 1.1932613586568626
Energy: 1.277065099625833
Energy: 1.1932613586568626

minimum gb energy = 1.0693943729074458 eV
minimum distance =  2.30022823820966 Angstroms
sigma value = 57


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

Energy: 1.5278338392748585
Energy: 1.1139383085362997
Energy: 1.5278338392748585
Energy: 1.1139383085362997
Energy: 1.5278338392756419
Energy: 1.1139383085362997
Energy: 1.1991016536154344
Energy: 1.0515483744695322
Energy: 1.1991016536154344
Energy: 1.0515483744695322
Energy: 1.1991016536154344
Energy: 1.051548374470316
Energy: 1.2735391773291616
Energy: 1.3560617459721307
Energy: 1.2735391773291616
Energy: 1.356061745971347
Energy: 1.2735391773299454
Energy: 1.3560617459721307
Energy: 1.5915689679456972
Energy: 1.244583885197846
Energy: 1.5915689679456972
Energy: 1.244583885197846
Energy: 1.591568967946481
Energy: 1.244583885197846
Energy: 1.6140702094304284
Energy: 1.2876239168336838
Energy: 1.6140702094304284
Energy: 1.2876239168336838
Energy: 1.6140702094304284
Energy: 1.2876239168336838
Energy: 1.27371995144128
Energy: 1.119476220233377
Energy: 1.2737199514428477
Energy: 1.119476220233377
Energy: 1.2737199514397126
Energy: 1.1194762202325934
Energy: 1.2721588659046439
Energy: 1.313022034522639
Energy: 1.2721588659046439
Energy: 1.3130220345218555
Energy: 1.2721588659046439
Energy: 1.313022034522639
Energy: 1.3649749141887364
Energy: 1.2574791194981307
Energy: 1.3649749141887364
Energy: 1.2574791194981307
Energy: 1.3649749141887364
Energy: 1.2574791194973471
Energy: 1.4436704264964957
Energy: 1.0513701970162106
Energy: 1.4436704264972793
Energy: 1.051370197015427
Energy: 1.4436704264964957
Energy: 1.051370197014643
Energy: 1.0530120687139428
Energy: 1.2023229778785705
Energy: 1.0530120687131594
Energy: 1.2023229778785705
Energy: 1.0530120687131594
Energy: 1.2023229778785705
Energy: 1.2698344132160655
Energy: 1.2464854354562511
Energy: 1.2698344132160655
Energy: 1.2464854354562511
Energy: 1.2698344132160655
Energy: 1.2464854354562511
Energy: 1.4620795133473539
Energy: 1.4491183241236545
Energy: 1.46207951334657
Energy: 1.4491183241236545
Energy: 1.46207951334657
Energy: 1.4491183241236545
Energy: 1.250941884537891
Energy: 1.0514631734792483
Energy: 1.250941884537891
Energy: 1.0514631734800324
Energy: 1.250941884537107
Energy: 1.0514631734800324
Energy: 1.3765975280277027
Energy: 1.0610620782019202
Energy: 1.3765975280284866
Energy: 1.0610620782019202
Energy: 1.3765975280277027
Energy: 1.0610620782019202
Energy: 1.2585381250747434
Energy: 1.2518610266672068
Energy: 1.2585381250747434
Energy: 1.2518610266679908
Energy: 1.2585381250747434
Energy: 1.2518610266672068
Energy: 1.2021741609704366
Energy: 1.4454404173542708
Energy: 1.2021741609704366
Energy: 1.4454404173542708
Energy: 1.2021741609696528
Energy: 1.4454404173542708
Energy: 1.062047600194573
Energy: 1.1999301528447839
Energy: 1.062047600194573
Energy: 1.199930152844
Energy: 1.062047600193789
Energy: 1.1999301528447839
Energy: 1.2664193808650768
Energy: 1.0627278516805179
Energy: 1.266419380864293
Energy: 1.0627278516805179
Energy: 1.266419380864293
Energy: 1.062727851679734
Energy: 1.0621065025290912
Energy: 1.199839083856416
Energy: 1.0621065025283074
Energy: 1.199839083856416
Energy: 1.0621065025290912
Energy: 1.199839083856416
Energy: 1.2020971279166772
Energy: 1.445475450681055
Energy: 1.2020971279158932
Energy: 1.445475450681055
Energy: 1.2020971279166772
Energy: 1.445475450681055
Energy: 1.2572562583116995
Energy: 1.251878653058096
Energy: 1.257256258310916
Energy: 1.251878653058096
Energy: 1.2572562583116995
Energy: 1.25187865305888
Energy: 1.3761192017644681
Energy: 1.204626861315901
Energy: 1.3761192017644681
Energy: 1.2046268613143336
Energy: 1.3761192017644681
Energy: 1.204626861315901
Energy: 1.252120036189674
Energy: 1.0525075468061176
Energy: 1.252120036189674
Energy: 1.0525075468053338
Energy: 1.252120036189674
Energy: 1.0525075468069014
Energy: 1.461885252245938
Energy: 1.4490387312642736
Energy: 1.461885252246722
Energy: 1.4490387312642736
Energy: 1.461885252246722
Energy: 1.4490387312642736

minimum gb energy = 1.051370197014643 eV
minimum distance =  2.2562425615846 Angstroms
sigma value = 17


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

Energy: 1.2014415537656125
Energy: 1.0619578135189147
Energy: 1.201441553764504
Energy: 1.0619578135189147
Energy: 1.2014415537656125
Energy: 1.0619578135189147
Energy: 1.0184570043619965
Energy: 1.0020460555833786
Energy: 1.0184570043619965
Energy: 1.0020460555833786
Energy: 1.0184570043619965
Energy: 1.0020460555833786
Energy: 1.16896773075747
Energy: 1.177154064674668
Energy: 1.16896773075747
Energy: 1.1771540646757763
Energy: 1.1689677307585784
Energy: 1.177154064674668
Energy: 0.9583577570423076
Energy: 1.2136006061295521
Energy: 0.9583577570411991
Energy: 1.213600606128444
Energy: 0.9583577570411991
Energy: 1.213600606128444
Energy: 1.2038350780824383
Energy: 1.1660251891120197
Energy: 1.2038350780846552
Energy: 1.1660251891120197
Energy: 1.2038350780824383
Energy: 1.1660251891120197
Energy: 1.1293241941958985
Energy: 1.1675087733028051
Energy: 1.1293241941958985
Energy: 1.1675087733028051
Energy: 1.1293241941958985
Energy: 1.1675087733039136
Energy: 1.1229442499842452
Energy: 1.0185613492116925
Energy: 1.1229442499842452
Energy: 1.018561349210584
Energy: 1.1229442499864621
Energy: 1.0185613492116925
Energy: 0.9578741990682322
Energy: 1.1978187928263784
Energy: 0.9578741990693408
Energy: 1.1978187928274866
Energy: 0.9578741990693408
Energy: 1.1978187928274866
Energy: 1.1817713125088012
Energy: 1.0021662416017758
Energy: 1.1817713125088012
Energy: 1.0021662416006676
Energy: 1.1817713125088012
Energy: 1.0021662416006676
Energy: 1.0632711961445211
Energy: 1.0205808119662882
Energy: 1.0632711961445211
Energy: 1.0205808119662882
Energy: 1.0632711961445211
Energy: 1.0205808119662882
Energy: 1.061764607828579
Energy: 1.209253825582088
Energy: 1.061764607828579
Energy: 1.209253825582088
Energy: 1.0617646078296872
Energy: 1.209253825582088
Energy: 1.1683814270731236
Energy: 1.1405533971752846
Energy: 1.1683814270731236
Energy: 1.1405533971752846
Energy: 1.1683814270731236
Energy: 1.1405533971752846
Energy: 0.958008671627
Energy: 1.1649309566564217
Energy: 0.958008671627
Energy: 1.16493095665753
Energy: 0.958008671627
Energy: 1.16493095665753
Energy: 1.0800776115220883
Energy: 1.2082256244477165
Energy: 1.0800776115220883
Energy: 1.2082256244477165
Energy: 1.0800776115231965
Energy: 1.2082256244477165
Energy: 1.1285966895494315
Energy: 1.389653160067968
Energy: 1.1285966895494315
Energy: 1.389653160067968
Energy: 1.128596689548323
Energy: 1.389653160067968
Energy: 1.127164578105481
Energy: 1.4078148189957318
Energy: 1.127164578105481
Energy: 1.4078148189946234
Energy: 1.127164578105481
Energy: 1.4078148189946234
Energy: 1.0777213261193166
Energy: 1.2338431408773898
Energy: 1.0777213261193166
Energy: 1.2338431408784982
Energy: 1.0777213261193166
Energy: 1.2338431408784982

minimum gb energy = 0.9578741990682322 eV
minimum distance =  2.29141558492865 Angstroms
sigma value = 17


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

Energy: 1.0760946582360853
Energy: 0.9615556116772555
Energy: 1.0760946582348012
Energy: 0.9615556116776834
Energy: 1.076094658235229
Energy: 0.9615556116772555
Energy: 1.1429886100387605
Energy: 1.0062064418614984
Energy: 1.1429886100383326
Energy: 1.0062064418610703
Energy: 1.1429886100387605
Energy: 1.0062064418610703
Energy: 1.09722531491528
Energy: 1.0266248976699788
Energy: 1.09722531491528
Energy: 1.0266248976712629
Energy: 1.097225314915708
Energy: 1.0266248976699788
Energy: 1.265939405937263
Energy: 1.0505234565692696
Energy: 1.265939405937263
Energy: 1.0505234565692696
Energy: 1.265939405937263
Energy: 1.0505234565688415
Energy: 1.3941054921968683
Energy: 1.1572491094186195
Energy: 1.3941054921968683
Energy: 1.1572491094181914
Energy: 1.39410549219644
Energy: 1.1572491094186195
Energy: 1.0561720663689498
Energy: 0.969174646188279
Energy: 1.056172066368522
Energy: 0.969174646188279
Energy: 1.056172066368522
Energy: 0.9691746461878508
Energy: 1.1287763536268918
Energy: 0.9990321959673261
Energy: 1.1287763536264634
Energy: 0.9990321959673261
Energy: 1.1287763536281756
Energy: 0.999032195968182
Energy: 1.26315975313278
Energy: 1.248267346470675
Energy: 1.26315975313278
Energy: 1.248267346470675
Energy: 1.26315975313278
Energy: 1.248267346470675
Energy: 1.033938286608744
Energy: 1.0164276905682912
Energy: 1.0339382866108842
Energy: 1.0164276905674352
Energy: 1.033938286610028
Energy: 1.016427690567863
Energy: 0.970578689091111
Energy: 0.8819142478422229
Energy: 0.970578689091111
Energy: 0.8819142478417951
Energy: 0.9705786890906829
Energy: 0.8819142478413668
Energy: 0.8910239266542135
Energy: 1.2253054413857967
Energy: 0.8910239266542135
Energy: 1.2253054413853688
Energy: 0.8910239266533574
Energy: 1.2253054413862248
Energy: 1.1048259884376075
Energy: 0.9376963342382508
Energy: 1.1048259884371794
Energy: 0.9376963342369669
Energy: 1.1048259884371794
Energy: 0.9376963342365389
Energy: 1.1653964088560818
Energy: 0.9837352695046896
Energy: 1.1653964088565096
Energy: 0.9837352695046896
Energy: 1.1653964088565096
Energy: 0.9837352695055458
Energy: 0.9825165158937125
Energy: 1.0958396486345336
Energy: 0.9825165158941405
Energy: 1.095839648634962
Energy: 0.9825165158941405
Energy: 1.0958396486345336
Energy: 1.0645785314154013
Energy: 1.299946481086731
Energy: 1.064578531415829
Energy: 1.299946481086731
Energy: 1.0645785314149732
Energy: 1.299946481086731
Energy: 0.8917631958380081
Energy: 1.152918065611625
Energy: 0.8917631958380081
Energy: 1.1529180656111966
Energy: 0.8917631958384361
Energy: 1.1529180656111966
Energy: 0.9806133645070663
Energy: 1.0476294357269722
Energy: 0.9806133645074944
Energy: 1.0476294357269722
Energy: 0.9806133645074944
Energy: 1.0476294357269722
Energy: 1.061020479995571
Energy: 1.2677491518780788
Energy: 1.061020479995999
Energy: 1.2677491518780788
Energy: 1.061020479995571
Energy: 1.2677491518780788
Energy: 1.0153032215588482
Energy: 1.4031489307651779
Energy: 1.0153032215597042
Energy: 1.4031489307651779
Energy: 1.0153032215584201
Energy: 1.4031489307651779
Energy: 0.9793364625633365
Energy: 0.9173110855408424
Energy: 0.9793364625629085
Energy: 0.9173110855408424
Energy: 0.9793364625641926
Energy: 0.9173110855408424
Energy: 1.0149674474178803
Energy: 1.4030098413311178
Energy: 1.0149674474178803
Energy: 1.4030098413311178
Energy: 1.0149674474174522
Energy: 1.4030098413311178
Energy: 1.0601170707334362
Energy: 1.26771524679875
Energy: 1.060117070733864
Energy: 1.26771524679875
Energy: 1.0601170707342924
Energy: 1.2677152467983221
Energy: 0.9806501217935503
Energy: 1.0474327669089127
Energy: 0.9806501217935503
Energy: 1.0474327669093404
Energy: 0.9806501217935503
Energy: 1.0474327669093404
Energy: 0.8920568785473416
Energy: 1.25024955737621
Energy: 0.8920568785469134
Energy: 1.2502495573766381
Energy: 0.8920568785469134
Energy: 1.2502495573757821
Energy: 1.0638758810524638
Energy: 1.299733968373826
Energy: 1.063875881052036
Energy: 1.2997339683742541
Energy: 1.0638758810507518
Energy: 1.2997339683742541
Energy: 0.9827376406005975
Energy: 1.095815506816015
Energy: 0.9827376406010256
Energy: 1.095815506815587
Energy: 0.9827376406010256
Energy: 1.095815506816015
Energy: 1.1654055626226372
Energy: 0.9840308686289371
Energy: 1.1654055626230655
Energy: 0.9840308686285089
Energy: 1.1654055626230655
Energy: 0.9840308686289371
Energy: 1.1042405389349228
Energy: 1.2829235481819001
Energy: 1.1042405389353507
Energy: 1.2829235481819001
Energy: 1.1042405389349228
Energy: 1.282923548182328
Energy: 0.8907076826676275
Energy: 1.2253398341338395
Energy: 0.8907076826676275
Energy: 1.2253398341342676
Energy: 0.8907076826659153
Energy: 1.2253398341342676
Energy: 0.9720080710549857
Energy: 0.881493786555685
Energy: 0.9720080710541296
Energy: 0.881493786555257
Energy: 0.9720080710537016
Energy: 0.881493786555257
Energy: 1.2437065314619287
Energy: 1.016039845579289
Energy: 1.2437065314623568
Energy: 1.0160398455784325
Energy: 1.2437065314619287
Energy: 1.016039845579289
Energy: 1.263139112005503
Energy: 1.248211975866068
Energy: 1.263139112005503
Energy: 1.248211975866496
Energy: 1.2631391120050752
Energy: 1.248211975866068
Energy: 1.1282404040599496
Energy: 0.9991904704184956
Energy: 1.1282404040599496
Energy: 0.9991904704193516
Energy: 1.1282404040599496
Energy: 0.9991904704189237
Energy: 1.0561876356065294
Energy: 0.9363423766769191
Energy: 1.0561876356065294
Energy: 0.9363423766764911
Energy: 1.0561876356065294
Energy: 0.9363423766769191
Energy: 1.3941024275930765
Energy: 1.1572925706271322
Energy: 1.3941024275926484
Energy: 1.1572925706275603
Energy: 1.3941024275926484
Energy: 1.1572925706271322
Energy: 1.265758073518614
Energy: 1.2722977946234617
Energy: 1.265758073518614
Energy: 1.2722977946234617
Energy: 1.265758073518614
Energy: 1.2722977946230338
Energy: 1.0972438987430029
Energy: 1.0269755665254312
Energy: 1.0972438987425748
Energy: 1.0269755665245752
Energy: 1.0972438987425748
Energy: 1.0269755665262874
Energy: 1.1430622651336295
Energy: 0.9347494690966798
Energy: 1.1430622651336295
Energy: 0.9347494690966798
Energy: 1.1430622651336295
Energy: 0.9347494690962518
Energy: 1.076094658235229
Energy: 0.9615556116776834
Energy: 1.0760946582356572
Energy: 0.9615556116772555
Energy: 1.076094658235229
Energy: 0.9615556116776834
Energy: 1.1429886100383326
Energy: 0.9299218700824697
Energy: 1.1429886100387605
Energy: 0.9299218700828977
Energy: 1.1429886100383326
Energy: 0.9299218700833258
Energy: 1.097225314916136
Energy: 1.0266248976712629
Energy: 1.097225314914852
Energy: 1.0266248976712629
Energy: 1.09722531491528
Energy: 1.0266248976712629
Energy: 1.2659394059364069
Energy: 1.0505234565696975
Energy: 1.2659394059364069
Energy: 1.0505234565701256
Energy: 1.2659394059364069
Energy: 1.0505234565692696
Energy: 1.394105492197296
Energy: 1.1572491094190474
Energy: 1.394105492197296
Energy: 1.1572491094190474
Energy: 1.394105492197724
Energy: 1.1572491094181914

minimum gb energy = 0.881493786555257 eV
minimum distance =  2.25020600207906 Angstroms
sigma value = 57


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

Energy: 0.9832795123657235
Energy: 0.8827388373558752
Energy: 0.9832795123664206
Energy: 0.8827388373558752
Energy: 0.9832795123664206
Energy: 0.882738837356572
Energy: 1.0283038236591395
Energy: 0.8673203801333037
Energy: 1.0283038236584425
Energy: 0.8673203801340008
Energy: 1.0283038236584425
Energy: 0.8673203801333037
Energy: 1.0327584805028571
Energy: 0.9450772036900505
Energy: 1.0327584805028571
Energy: 0.9450772036900505
Energy: 1.0327584805028571
Energy: 0.9450772036900505
Energy: 1.176954718869788
Energy: 0.9893853279444554
Energy: 1.1769547188704852
Energy: 0.9893853279458493
Energy: 1.176954718869788
Energy: 0.9893853279451524
Energy: 1.2407261882897207
Energy: 0.8603614981375421
Energy: 1.2407261882897207
Energy: 0.8603614981375421
Energy: 1.2407261882897207
Energy: 0.8603614981375421
Energy: 1.0331413243646934
Energy: 0.8665824829364882
Energy: 1.0331413243653902
Energy: 0.8665824829371852
Energy: 1.0331413243646934
Energy: 0.8665824829371852
Energy: 1.1781000911745734
Energy: 0.959500163577073
Energy: 1.1781000911752704
Energy: 0.9595001635756791
Energy: 1.1781000911752704
Energy: 0.9595001635735884
Energy: 1.1484707890578583
Energy: 1.1813859685238606
Energy: 1.1484707890578583
Energy: 1.1813859685245576
Energy: 1.1484707890578583
Energy: 1.1813859685245576
Energy: 0.9038045199751304
Energy: 0.8694075635641342
Energy: 0.9038045199751304
Energy: 0.8694075635641342
Energy: 0.9038045199751304
Energy: 0.8694075635641342
Energy: 1.0286531026826997
Energy: 0.9175313839297528
Energy: 1.028653102683397
Energy: 0.9175313839304496
Energy: 1.028653102683397
Energy: 0.9175313839304496
Energy: 1.1507387677736072
Energy: 1.1537087963687438
Energy: 1.1507387677729104
Energy: 1.1537087963687438
Energy: 1.1507387677729104
Energy: 1.1537087963687438
Energy: 0.9460934054022453
Energy: 1.1808276173529966
Energy: 0.9460934054022453
Energy: 1.1808276173529966
Energy: 0.9460934054022453
Energy: 1.1808276173529966
Energy: 1.0289931646724855
Energy: 1.0307696237193302
Energy: 1.0289931646717887
Energy: 1.0307696237193302
Energy: 1.0289931646717887
Energy: 1.030769623720027
Energy: 1.0290627588266428
Energy: 1.059741152292757
Energy: 1.0290627588266428
Energy: 1.059741152291363
Energy: 1.0290627588259458
Energy: 1.0597411522920597
Energy: 1.0100342427874787
Energy: 1.198193816213782
Energy: 1.0100342427874787
Energy: 1.198193816214479
Energy: 1.0100342427881757
Energy: 1.198193816213782
Energy: 1.0582222331614959
Energy: 1.0515943882269894
Energy: 1.0582222331614959
Energy: 1.0515943882269894
Energy: 1.0582222331628897
Energy: 1.0515943882269894
Energy: 0.9057419578413185
Energy: 1.02690438189027
Energy: 0.9057419578413185
Energy: 1.02690438189027
Energy: 0.9057419578448033
Energy: 1.02690438189027
Energy: 1.1080983345806226
Energy: 1.2095092427623857
Energy: 1.1080983345813193
Energy: 1.2095092427623857
Energy: 1.1080983345813193
Energy: 1.209509242761689
Energy: 0.8369800981452042
Energy: 1.0779981213655863
Energy: 0.836980098147295
Energy: 1.0779981213655863
Energy: 0.836980098147992
Energy: 1.0779981213648893
Energy: 1.0319037658315215
Energy: 0.9911288940232861
Energy: 1.0319037658308245
Energy: 0.9911288940239831
Energy: 1.0319037658315215
Energy: 0.9911288940239831
Energy: 0.9910163699508228
Energy: 1.1776174154405459
Energy: 0.991016369948732
Energy: 1.1776174154412427
Energy: 0.9910163699494289
Energy: 1.1776174154412427
Energy: 0.8261011527376488
Energy: 1.0817297566541315
Energy: 0.826101152736255
Energy: 1.0817297566541315
Energy: 0.826101152736255
Energy: 1.0817297566541315
Energy: 0.9029701298718352
Energy: 0.9458649491011024
Energy: 0.9029701298725321
Energy: 0.9458649491011024
Energy: 0.9029701298718352
Energy: 0.9458649491011024
Energy: 0.9296379898238396
Energy: 1.3104139489971414
Energy: 0.9296379898238396
Energy: 1.3104139489964446
Energy: 0.9296379898245366
Energy: 1.3104139489971414
Energy: 0.9353319393720061
Energy: 1.1755520278498122
Energy: 0.9353319393720061
Energy: 1.1755520278505092
Energy: 0.9353319393727032
Energy: 1.1755520278505092
Energy: 0.8821519471737577
Energy: 0.9454834716431842
Energy: 0.8821519471730607
Energy: 0.9454834716424874
Energy: 0.8821519471730607
Energy: 0.9454834716424874
Energy: 0.8262888476962231
Energy: 1.0779458301752107
Energy: 0.8262888476955261
Energy: 1.0779458301752107
Energy: 0.8262888476962231
Energy: 1.0779458301752107

minimum gb energy = 0.826101152736255 eV
minimum distance =  2.26555673142996 Angstroms
sigma value = 43


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

Energy: 1.121940447483327
Energy: 0.7954385426313377
Energy: 1.121940447483327
Energy: 0.7954385426313377
Energy: 1.1219404474828194
Energy: 0.7954385426313377
Energy: 0.8899530755578771
Energy: 0.931890441234233
Energy: 0.8899530755578771
Energy: 0.9318904412347407
Energy: 0.8899530755578771
Energy: 0.931890441234233
Energy: 0.8784738323935559
Energy: 0.9322936371284076
Energy: 0.8784738323935559
Energy: 0.9322936371289153
Energy: 0.8784738323940636
Energy: 0.9322936371289153
Energy: 1.0637640530819035
Energy: 0.8514407630487187
Energy: 1.0637640530819035
Energy: 0.8514407630492267
Energy: 1.0637640530813957
Energy: 0.851440763048211
Energy: 1.037355421970543
Energy: 0.8903893180224997
Energy: 1.037355421970543
Energy: 0.8903893180219916
Energy: 1.037355421970543
Energy: 0.8903893180230074
Energy: 0.8714384274309614
Energy: 0.8882668443567672
Energy: 0.8714384274309614
Energy: 0.8882668443572749
Energy: 0.8714384274309614
Energy: 0.8882668443567672
Energy: 0.9996552320569181
Energy: 0.9466953288768227
Energy: 0.9996552320564102
Energy: 0.9466953288768227
Energy: 0.9996552320564102
Energy: 0.9466953288768227
Energy: 1.0866231063857505
Energy: 0.993272340474221
Energy: 1.086623106385243
Energy: 0.9932723404747287
Energy: 1.0866231063847347
Energy: 0.9932723404747287
Energy: 0.84493644226694
Energy: 0.8781716207175999
Energy: 0.84493644226694
Energy: 0.8781716207170922
Energy: 0.84493644226694
Energy: 0.8781716207175999
Energy: 0.8936575051176833
Energy: 0.7888025513578929
Energy: 0.8936575051176833
Energy: 0.7888025513578929
Energy: 0.8936575051176833
Energy: 0.7888025513573852
Energy: 0.9811839547470342
Energy: 0.9912858773178839
Energy: 0.9811839547485577
Energy: 0.9912858773178839
Energy: 0.9811839547470342
Energy: 0.9912858773178839
Energy: 0.7594685761211972
Energy: 0.8775685013968391
Energy: 0.759468576121705
Energy: 0.8775685013963311
Energy: 0.759468576121705
Energy: 0.8775685013968391
Energy: 0.8932223580621559
Energy: 0.7556621079009515
Energy: 0.8932223580621559
Energy: 0.7556621079009515
Energy: 0.8932223580621559
Energy: 0.7556621079009515
Energy: 1.0069116535266343
Energy: 0.9921458751321479
Energy: 1.0069116535266343
Energy: 0.9921458751326556
Energy: 1.0069116535266343
Energy: 0.9921458751326556
Energy: 0.9087518320303957
Energy: 0.8764837789897737
Energy: 0.9087518320303957
Energy: 0.8764837789892658
Energy: 0.9087518320303957
Energy: 0.8764837789897737
Energy: 0.9145713754794921
Energy: 0.8707104591763996
Energy: 0.9145713754794921
Energy: 0.8707104591769075
Energy: 0.9145713754794921
Energy: 0.8707104591763996
Energy: 1.0224644289017073
Energy: 0.9722582425116248
Energy: 1.0224644289017073
Energy: 0.9722582425116248
Energy: 1.0224644289022151
Energy: 0.9722582425116248
Energy: 0.8129173311545789
Energy: 0.8770658132612769
Energy: 0.8129173311545789
Energy: 0.877065813263308
Energy: 0.8129173311550866
Energy: 0.8770658132602612
Energy: 0.8888998135406112
Energy: 0.8834055405288637
Energy: 0.8888998135406112
Energy: 0.8834055405293716
Energy: 0.8888998135406112
Energy: 0.8834055405293716
Energy: 1.0546216714717642
Energy: 1.0264467987697683
Energy: 1.0546216714717642
Energy: 1.0264467987697683
Energy: 1.0546216714717642
Energy: 1.0264467987702761
Energy: 0.8683340762305676
Energy: 1.0313758307092642
Energy: 0.8683340762305676
Energy: 1.0313758307092642
Energy: 0.8683340762305676
Energy: 1.0313758307082486
Energy: 0.9415795373046214
Energy: 0.904274033748174
Energy: 0.9415795373046214
Energy: 0.904274033748174
Energy: 0.9415795373046214
Energy: 0.904274033748174
Energy: 0.9388660824352837
Energy: 0.8804571632210367
Energy: 0.9388660824362991
Energy: 0.8804571632210367
Energy: 0.9388660824357914
Energy: 0.8804571632210367
Energy: 0.9422527914694732
Energy: 1.0766813834881486
Energy: 0.9422527914694732
Energy: 1.0766813834886564
Energy: 0.9422527914699809
Energy: 1.0766813834886564
Energy: 0.8902350860708615
Energy: 0.8688176701589464
Energy: 0.8902350860713696
Energy: 0.8688176701589464
Energy: 0.8902350860708615
Energy: 0.8688176701589464
Energy: 0.8893042097513136
Energy: 0.8510742882598591
Energy: 0.8893042097513136
Energy: 0.8510742882598591
Energy: 0.8893042097513136
Energy: 0.8510742882598591
Energy: 0.8653529039385168
Energy: 1.0269556694093744
Energy: 0.8371911732650839
Energy: 1.0269556694093744
Energy: 0.8371911732650839
Energy: 1.0269556694093744
Energy: 0.8608244460920522
Energy: 0.8627237083312934
Energy: 0.8608244460920522
Energy: 0.8627237083312934
Energy: 0.8608244460920522
Energy: 0.8627237083312934
Energy: 0.8721668435669537
Energy: 0.8139853568258495
Energy: 0.8721668435679694
Energy: 0.8139853568258495
Energy: 0.8721668435679694
Energy: 0.8139853568253415
Energy: 0.7845074235708066
Energy: 0.9976535829278433
Energy: 0.7845074235713143
Energy: 0.9976535829278433
Energy: 0.7845074235702987
Energy: 0.9976535829278433
Energy: 0.8698223322794001
Energy: 1.0908782995520212
Energy: 0.8698223322794001
Energy: 1.090878299552529
Energy: 0.8698223322794001
Energy: 1.090878299552529
Energy: 0.8725026636552269
Energy: 0.7841493605328214
Energy: 0.8725026636552269
Energy: 0.7841493605333292
Energy: 0.8725026636552269
Energy: 0.7841493605328214
Energy: 0.7567022864217862
Energy: 0.8684528900294399
Energy: 0.7567022864217862
Energy: 0.868452890021823
Energy: 0.7567022864222941
Energy: 0.8684528900157296
Energy: 1.000175385136023
Energy: 0.990169627644254
Energy: 1.000175385136023
Energy: 0.9901696276437463
Energy: 1.000175385136023
Energy: 0.990169627644254
Energy: 0.8973862905386846
Energy: 0.8793540690034869
Energy: 0.8973862905386846
Energy: 0.8793540690029791
Energy: 0.8973862905386846
Energy: 0.8793540690034869
Energy: 0.68447632841936
Energy: 0.8671639131086867
Energy: 0.68447632841936
Energy: 0.8671639131086867
Energy: 0.68447632841936
Energy: 0.8671639131086867

minimum gb energy = 0.68447632841936 eV
minimum distance =  2.2620640657222 Angstroms
sigma value = 81


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

Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679236723
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679236723
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.050070564638734265
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679236723
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.8889023728076533
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8889023728057874
Energy: 0.05007056464060002
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.8888882906376637
Energy: 0.05007054922886118
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679050149
Energy: 0.04894595979717792
Energy: 0.10198550679236723

minimum gb energy = 0.04894595979717792 eV
minimum distance =  2.46592278387417 Angstroms
sigma value = 3


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

Energy: 0.9492880197200366
Energy: 0.7948129045717998
Energy: 0.9492880197200366
Energy: 0.7948129045717998
Energy: 0.9492880197200366
Energy: 0.7948129045717998
Energy: 0.7898405910616189
Energy: 0.8742509001933908
Energy: 0.7898405910621771
Energy: 0.874250900193949
Energy: 0.7898405910610604
Energy: 0.874250900193949
Energy: 0.8144120974755856
Energy: 0.9021060505171734
Energy: 0.8144120974755856
Energy: 0.9021060505171734
Energy: 0.8144120974755856
Energy: 0.9021060505171734
Energy: 0.8849657942606177
Energy: 0.8416304371144011
Energy: 0.8849657942606177
Energy: 0.8416304371138429
Energy: 0.884965794261176
Energy: 0.8416304371138429
Energy: 0.6860401907108676
Energy: 0.8414082304637949
Energy: 0.6860401907108676
Energy: 0.8414082304632364
Energy: 0.6860401907103093
Energy: 0.8414082304632364
Energy: 0.8214735822290511
Energy: 0.850205163163002
Energy: 0.8214735822290511
Energy: 0.850205163163002
Energy: 0.8214735822290511
Energy: 0.8502051631635603
Energy: 0.8364215758724424
Energy: 0.9001497004420065
Energy: 0.8364215758730007
Energy: 0.9001497004420065
Energy: 0.8364215758724424
Energy: 0.9001497004425649
Energy: 0.6860368020436911
Energy: 0.8406315739487626
Energy: 0.6860368020431328
Energy: 0.8406315739476461
Energy: 0.6860368020431328
Energy: 0.8406315739476461
Energy: 0.8340671468609863
Energy: 0.8379799633363916
Energy: 0.8340671468604279
Energy: 0.837979963335833
Energy: 0.8340671468604279
Energy: 0.8379799633363916
Energy: 0.8195506319486456
Energy: 0.8333069830445862
Energy: 0.8195506319486456
Energy: 0.8333069830445862
Energy: 0.8195506319475292
Energy: 0.8333069830445862
Energy: 0.73998252037259
Energy: 0.8147768133300792
Energy: 0.7399825203720316
Energy: 0.8147768133300792
Energy: 0.7399825203720316
Energy: 0.8147768133306376
Energy: 0.8599831195002702
Energy: 0.868954323030044
Energy: 0.8599831195002702
Energy: 0.868954323030044
Energy: 0.8599831195013866
Energy: 0.868954323030044
Energy: 0.8428677026006804
Energy: 0.6907487435846896
Energy: 0.8428677026006804
Energy: 0.6907487435846896
Energy: 0.8428677026012388
Energy: 0.6907487435846896
Energy: 0.8676451179469693
Energy: 0.8472006544100377
Energy: 0.8676451179469693
Energy: 0.8472006544094793
Energy: 0.8676451179469693
Energy: 0.8472006544100377
Energy: 0.8671522097549199
Energy: 0.8385669142875798
Energy: 0.8671522097549199
Energy: 0.8385669142875798
Energy: 0.8671522097549199
Energy: 0.8385669142881382
Energy: 0.8440196394845658
Energy: 0.6822821669991297
Energy: 0.8440196394840074
Energy: 0.6822821669991297
Energy: 0.8440196394845658
Energy: 0.6822821669991297
Energy: 0.8775765648076143
Energy: 0.871599600001126
Energy: 0.8775765648081726
Energy: 0.871599600001126
Energy: 0.8775765648081726
Energy: 0.871599600001126
Energy: 0.8690349724822402
Energy: 0.8116995411271272
Energy: 0.8690349724822402
Energy: 0.8116995411288022
Energy: 0.8690349724827986
Energy: 0.8116995411282439
Energy: 0.8936232310887062
Energy: 0.9171166901941725
Energy: 0.893623231088148
Energy: 0.9171166901941725
Energy: 0.893623231088148
Energy: 0.9171166901941725
Energy: 0.7849607502632504
Energy: 0.9263785163305842
Energy: 0.7849607502632504
Energy: 0.9263785163317008
Energy: 0.7849607502632504
Energy: 0.9263785163300258
Energy: 0.8879100253889487
Energy: 0.7959097022347422
Energy: 0.8879100253889487
Energy: 0.795909702234184
Energy: 0.8879100253889487
Energy: 0.7959097022347422
Energy: 0.9431827784726583
Energy: 0.7915556065718659
Energy: 0.9431827784721001
Energy: 0.7915556065713076
Energy: 0.9431827784726583
Energy: 0.7915556065718659
Energy: 0.812178093224438
Energy: 0.9040091416330085
Energy: 0.8121780932249963
Energy: 0.9040091416341252
Energy: 0.8121780932249963
Energy: 0.9040091416330085
Energy: 0.9153188996963256
Energy: 0.7751685544503537
Energy: 0.915318899696884
Energy: 0.7751685544497954
Energy: 0.915318899696884
Energy: 0.7751685544503537
Energy: 0.8657226495387245
Energy: 0.8156657894962408
Energy: 0.8657226495381661
Energy: 0.8156657894962408
Energy: 0.8657226495387245
Energy: 0.8156657894967991
Energy: 0.7789328443370931
Energy: 0.8609874776495595
Energy: 0.7789328443365348
Energy: 0.8609874776490012
Energy: 0.7789328443365348
Energy: 0.860987477648443
Energy: 0.935493131306135
Energy: 0.7865153838353459
Energy: 0.935493131306135
Energy: 0.7865153838353459
Energy: 0.935493131306135
Energy: 0.7865153838353459
Energy: 0.836400032129245
Energy: 0.833089247407633
Energy: 0.836400032129245
Energy: 0.833089247407633
Energy: 0.8364000321298032
Energy: 0.833089247407633
Energy: 0.7527227789178217
Energy: 0.8410857777786309
Energy: 0.75272277891838
Energy: 0.8410857777791892
Energy: 0.75272277891838
Energy: 0.8410857777786309
Energy: 0.9505385648782849
Energy: 0.9070295699181394
Energy: 0.9505385648782849
Energy: 0.9070295699175811
Energy: 0.9505385648782849
Energy: 0.9070295699181394
Energy: 0.8573496068739918
Energy: 0.8617785529362401
Energy: 0.8573496068745503
Energy: 0.8617785529367982
Energy: 0.8573496068745503
Energy: 0.8617785529367982
Energy: 0.8289033447019951
Energy: 0.8338423845194507
Energy: 0.8289033447019951
Energy: 0.8338423845205675
Energy: 0.8289033447014368
Energy: 0.8338423845194507
Energy: 0.8359585756632638
Energy: 0.9186817181277631
Energy: 0.8359585756632638
Energy: 0.9186817181277631
Energy: 0.8359585756632638
Energy: 0.9186817181277631

minimum gb energy = 0.6822821669991297 eV
minimum distance =  2.33545123366263 Angstroms
sigma value = 67


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

Energy: 1.0913434106557922
Energy: 0.9883627979635968
Energy: 1.0913434106557922
Energy: 0.9883627979643923
Energy: 1.0913434106557922
Energy: 0.9883627979635968
Energy: 0.9675212823305179
Energy: 1.0437378404882522
Energy: 0.9675212823297223
Energy: 1.043737840487457
Energy: 0.9675212823297223
Energy: 1.043737840487457
Energy: 1.0253522469936407
Energy: 1.0588202838652754
Energy: 1.0253522469944363
Energy: 1.0588202838644798
Energy: 1.0253522469944363
Energy: 1.0588202838652754
Energy: 1.0438105103935282
Energy: 0.9735974080062195
Energy: 1.0438105103935282
Energy: 0.9735974080062195
Energy: 1.0438105103935282
Energy: 0.9735974080062195
Energy: 0.9427453618401384
Energy: 0.9558923035151365
Energy: 0.9427453618377516
Energy: 0.9558923035143411
Energy: 0.9427453618369561
Energy: 0.9558923035151365
Energy: 1.0280159472791264
Energy: 1.020599505624468
Energy: 1.0280159472783308
Energy: 1.020599505624468
Energy: 1.0280159472791264
Energy: 1.020599505624468
Energy: 0.9674898946271208
Energy: 1.067652226906416
Energy: 0.9674898946263253
Energy: 1.067652226906416
Energy: 0.9674898946263253
Energy: 1.067652226906416
Energy: 1.1013227871978053
Energy: 0.9554767468737286
Energy: 1.1013227871986009
Energy: 0.9554767468729329
Energy: 1.1013227871986009
Energy: 0.9554767468737286
Energy: 1.0457002923753427
Energy: 1.0651790904517684
Energy: 1.0457002923761383
Energy: 1.0651790904517684
Energy: 1.0457002923753427
Energy: 1.0651790904517684
Energy: 1.02109999000839
Energy: 0.8925287214938599
Energy: 1.021099990007594
Energy: 0.8925287214930644
Energy: 1.021099990007594
Energy: 0.8925287214930644
Energy: 1.0345355900737718
Energy: 1.0198794560083588
Energy: 1.0345355900737718
Energy: 1.0198794560083588
Energy: 1.0345355900745676
Energy: 1.0198794560083588
Energy: 1.0050117860062708
Energy: 1.0127873713344782
Energy: 1.0050117860062708
Energy: 1.0127873713344782
Energy: 1.0050117860070666
Energy: 1.0127873713344782
Energy: 0.9930953456423546
Energy: 1.1233023132784954
Energy: 0.99309534564315
Energy: 1.1233023132784954
Energy: 0.9930953456423546
Energy: 1.1233023132784954
Energy: 0.9936649000136122
Energy: 1.0506560467116863
Energy: 0.9936649000144078
Energy: 1.0506560467108905
Energy: 0.9936649000136122
Energy: 1.0506560467108905
Energy: 0.980557423046959
Energy: 0.9682375503960932
Energy: 0.980557423046959
Energy: 0.9682375503952976
Energy: 0.980557423046959
Energy: 0.9682375503960932
Energy: 1.0861760655698458
Energy: 0.9913813064820889
Energy: 1.0861760655698458
Energy: 0.9913813064820889
Energy: 1.0861760655698458
Energy: 0.9913813064812932
Energy: 1.0064449125396324
Energy: 1.0398893129256441
Energy: 1.0064449125396324
Energy: 1.0398893129248488
Energy: 1.0064449125396324
Energy: 1.0398893129256441
Energy: 1.001974085846014
Energy: 0.9500209241704248
Energy: 1.001974085846014
Energy: 0.9500209241704248
Energy: 1.0019740858452182
Energy: 0.9500209241704248
Energy: 1.0174910844336649
Energy: 1.0284765274028032
Energy: 1.0174910844336649
Energy: 1.0284765274028032
Energy: 1.0174910844336649
Energy: 1.0284765274028032
Energy: 1.1391045015989334
Energy: 1.0442283529958323
Energy: 1.1391045015989334
Energy: 1.044228352995037
Energy: 1.1391045015989334
Energy: 1.044228352995037
Energy: 1.1267257677699851
Energy: 0.9669617386456022
Energy: 1.1267257677699851
Energy: 0.9669617386448067
Energy: 1.1267257677699851
Energy: 0.9669617386456022
Energy: 1.0474703673171906
Energy: 1.0885426356226096
Energy: 1.0474703673171906
Energy: 1.0885426356226096
Energy: 1.0474703673171906
Energy: 1.0885426356226096
Energy: 1.0136058657667402
Energy: 1.0437540789403736
Energy: 1.0136058657659446
Energy: 1.0437540789403736
Energy: 1.0136058657667402
Energy: 1.0437540789395783

minimum gb energy = 0.8925287214930644 eV
minimum distance =  2.32119999126266 Angstroms
sigma value = 33


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

Energy: 1.2038205991154207
Energy: 1.0799270990715337
Energy: 1.2038205991154207
Energy: 1.079927099072543
Energy: 1.2038205991159254
Energy: 1.0799270990720384
Energy: 1.0804119757376565
Energy: 1.1528779265973104
Energy: 1.0804119757376565
Energy: 1.1528779265968057
Energy: 1.0804119757376565
Energy: 1.1528779265973104
Energy: 1.1524501220567658
Energy: 1.1536852878107735
Energy: 1.1524501220567658
Energy: 1.1536852878107735
Energy: 1.1524501220567658
Energy: 1.153685287811278
Energy: 1.1532727683042678
Energy: 1.0887247887893543
Energy: 1.1532727683037631
Energy: 1.0887247887893543
Energy: 1.1532727683042678
Energy: 1.0887247887893543
Energy: 1.09367135359329
Energy: 1.2137465320270355
Energy: 1.09367135359329
Energy: 1.2137465320265308
Energy: 1.0936713535927853
Energy: 1.2137465320270355
Energy: 1.3363324024772136
Energy: 1.1819268551678126
Energy: 1.3363324024772136
Energy: 1.1819268551678126
Energy: 1.3363324024772136
Energy: 1.1819268551678126
Energy: 1.0868989395808466
Energy: 1.1455290882175198
Energy: 1.0868989395813513
Energy: 1.1455290882175198
Energy: 1.0868989395818562
Energy: 1.145529088217015
Energy: 1.1628700842882413
Energy: 1.1442731297443782
Energy: 1.1628700842877366
Energy: 1.1442731297438735
Energy: 1.1628700842882413
Energy: 1.1442731297443782
Energy: 1.13386653458011
Energy: 1.1543437798547065
Energy: 1.1338665345806147
Energy: 1.1543437798547065
Energy: 1.13386653458011
Energy: 1.1543437798547065
Energy: 1.2114612119955808
Energy: 1.1640851978659834
Energy: 1.2114612119945714
Energy: 1.1640851978654787
Energy: 1.2114612119955808
Energy: 1.1640851978659834
Energy: 1.1555574085156657
Energy: 1.1573999837714848
Energy: 1.1555574085161704
Energy: 1.1573999837714848
Energy: 1.1555574085156657
Energy: 1.1573999837719895
Energy: 1.0797106713792965
Energy: 1.0877301409634483
Energy: 1.0797106713798013
Energy: 1.0877301409644575
Energy: 1.0797106713792965
Energy: 1.087730140963953
Energy: 1.1959211599168613
Energy: 1.1046846666334056
Energy: 1.1959211599163568
Energy: 1.1046846666334056
Energy: 1.1959211599168613
Energy: 1.1046846666334056
Energy: 1.091256306514906
Energy: 1.1519769378875493
Energy: 1.0912563065144012
Energy: 1.1519769378875493
Energy: 1.0912563065144012
Energy: 1.1519769378875493
Energy: 1.1205413443514696
Energy: 1.1143270654336828
Energy: 1.1205413443514696
Energy: 1.1143270654336828
Energy: 1.1205413443514696
Energy: 1.1143270654341872
Energy: 1.1530968194502154
Energy: 1.22542807402873
Energy: 1.1530968194502154
Energy: 1.22542807402873
Energy: 1.1530968194502154
Energy: 1.22542807402873
Energy: 1.0772703116277633
Energy: 1.1553577426155452
Energy: 1.0772703116272586
Energy: 1.1553577426155452
Energy: 1.077270311628268
Energy: 1.1553577426155452
Energy: 1.1789724781804194
Energy: 1.266506819139774
Energy: 1.1789724781804194
Energy: 1.2665068191402786
Energy: 1.1789724781804194
Energy: 1.266506819139774
Energy: 1.077087089221326
Energy: 1.182678589162413
Energy: 1.077087089221326
Energy: 1.1826785891629177
Energy: 1.0770870892218307
Energy: 1.182678589162413
Energy: 1.2347383128264768
Energy: 1.204771836338978
Energy: 1.2347383128264768
Energy: 1.204771836338978
Energy: 1.2347383128264768
Energy: 1.2047718363394828
Energy: 1.157935282208229
Energy: 1.1671150490246986
Energy: 1.1579352822087337
Energy: 1.1671150490246986
Energy: 1.157935282208229
Energy: 1.1671150490246986
Energy: 1.1192185260229555
Energy: 1.0648430622931175
Energy: 1.1192185260219463
Energy: 1.0648430622931175
Energy: 1.1192185260229555
Energy: 1.0648430622931175
Energy: 1.110405819363191
Energy: 1.1573002634388951
Energy: 1.110405819363191
Energy: 1.1573002634388951
Energy: 1.110405819363191
Energy: 1.1573002634393998
Energy: 1.2181182388589988
Energy: 1.0894430863150901
Energy: 1.2181182388589988
Energy: 1.0894430863155948
Energy: 1.2181182388589988
Energy: 1.0894430863150901
Energy: 1.0791995049541139
Energy: 1.0895941333804373
Energy: 1.0791995049546186
Energy: 1.0895941333804373
Energy: 1.0791995049536092
Energy: 1.0895941333799326
Energy: 1.1109101444759204
Energy: 1.1551768867136916
Energy: 1.1109101444759204
Energy: 1.1551768867136916
Energy: 1.1109101444759204
Energy: 1.1551768867136916
Energy: 1.086617753671604
Energy: 1.0631327298194735
Energy: 1.086617753671604
Energy: 1.0631327298194735
Energy: 1.086617753671604
Energy: 1.0631327298199782
Energy: 1.1809442341505594
Energy: 1.2225582318429766
Energy: 1.1809442341505594
Energy: 1.2225582318429766
Energy: 1.1809442341500545
Energy: 1.222558231842472
Energy: 1.2339880069747156
Energy: 1.1933853198724642
Energy: 1.2339880069742108
Energy: 1.193385319872969
Energy: 1.2339880069747156
Energy: 1.193385319872969
Energy: 1.076210463234996
Energy: 1.0547031790201806
Energy: 1.076210463234996
Energy: 1.054703179020685
Energy: 1.076210463234996
Energy: 1.054703179020685
Energy: 1.224116615410362
Energy: 1.2116822527256494
Energy: 1.2241166154098573
Energy: 1.2116822527261542
Energy: 1.224116615410362
Energy: 1.2116822527261542
Energy: 1.0963909594024646
Energy: 1.1525143841656245
Energy: 1.0963909594024646
Energy: 1.1525143841661292
Energy: 1.0963909594024646
Energy: 1.1525143841646153
Energy: 1.1498933474321749
Energy: 1.225518823473733
Energy: 1.1498933474321749
Energy: 1.225518823473733
Energy: 1.1498933474321749
Energy: 1.225518823473733
Energy: 1.118159418816305
Energy: 1.2050935259348443
Energy: 1.118159418816305
Energy: 1.2050935259348443
Energy: 1.1181594188168098
Energy: 1.2050935259348443
Energy: 1.0906999429496418
Energy: 1.1537831621499541
Energy: 1.090699942949137
Energy: 1.1537831621504588
Energy: 1.0906999429496418
Energy: 1.1537831621509635
Energy: 1.2071129817313102
Energy: 1.1037715876705319
Energy: 1.207112981731815
Energy: 1.1037715876720458
Energy: 1.207112981731815
Energy: 1.1037715876710363
Energy: 1.0813073028950404
Energy: 1.109650948895219
Energy: 1.0813073028950404
Energy: 1.109650948895219
Energy: 1.0813073028950404
Energy: 1.109650948895219

minimum gb energy = 1.0547031790201806 eV
minimum distance =  2.30774748854515 Angstroms
sigma value = 41


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

Energy: 1.3368090274825386
Energy: 1.2870515161441514
Energy: 1.3368090274825386
Energy: 1.2870515161427734
Energy: 1.3368090274825386
Energy: 1.2870515161427734
Energy: 1.2510515498288377
Energy: 1.3317055773128657
Energy: 1.251051549830216
Energy: 1.3317055773128657
Energy: 1.251051549830216
Energy: 1.3317055773128657
Energy: 1.4979770705628657
Energy: 1.3292623532028172
Energy: 1.5053751290419
Energy: 1.3292623532028172
Energy: 1.447648758393773
Energy: 1.3292623532028172
Energy: 1.3868014517589045
Energy: 1.3474376058150426
Energy: 1.3868014517589045
Energy: 1.3474376058136648
Energy: 1.3868014517589045
Energy: 1.3474376058136648
Energy: 1.3603242501441974
Energy: 1.3368462476843381
Energy: 1.3603242501441974
Energy: 1.336846247685716
Energy: 1.3603242501441974
Energy: 1.336846247685716
Energy: 1.4789824657379238
Energy: 1.3808001598386876
Energy: 1.4789824657393018
Energy: 1.3808001598386876
Energy: 1.4789824657393018
Energy: 1.3808001598386876
Energy: 1.4527590605978538
Energy: 1.2415954190390495
Energy: 1.4527590605978538
Energy: 1.2415954190404275
Energy: 1.4527590605978538
Energy: 1.2415954190390495
Energy: 1.325826910772268
Energy: 1.2983345125733687
Energy: 1.325826910772268
Energy: 1.2983345125733687
Energy: 1.325826910772268
Energy: 1.2983345125733687
Energy: 1.257234292808612
Energy: 1.2444887071266832
Energy: 1.257234292808612
Energy: 1.2444887071266832
Energy: 1.257234292808612
Energy: 1.2444887071266832
Energy: 1.3397093077654922
Energy: 1.318256823597996
Energy: 1.3397093077654922
Energy: 1.318256823597996
Energy: 1.3397093077654922
Energy: 1.318256823599374
Energy: 1.2540013503077572
Energy: 1.329591469966095
Energy: 1.2540013503077572
Energy: 1.329591469966095
Energy: 1.2540013503077572
Energy: 1.329591469966095
Energy: 1.3305524317731607
Energy: 1.3314723697316417
Energy: 1.3305524317731607
Energy: 1.3314723697316417
Energy: 1.3305524317731607
Energy: 1.3314723697316417
Energy: 1.3628060951120593
Energy: 1.3454629456189577
Energy: 1.3628060951120593
Energy: 1.3454629456189577
Energy: 1.3628060951120593
Energy: 1.3454629456189577
Energy: 1.3460881941649354
Energy: 1.3316681219604567
Energy: 1.3460881941649354
Energy: 1.3316681219604567
Energy: 1.3460881941649354
Energy: 1.3316681219604567

minimum gb energy = 1.2415954190390495 eV
minimum distance =  2.26697166622176 Angstroms
sigma value = 11


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

Energy: 1.59275855518525
Energy: 1.5712777018577735
Energy: 1.59275855518525
Energy: 1.5712777018577735
Energy: 1.59275855518525
Energy: 1.5712777018577735
Energy: 1.3713211642441345
Energy: 1.5427893369437145
Energy: 1.3713211642447398
Energy: 1.5427893369437145
Energy: 1.3713211642441345
Energy: 1.5427893369437145
Energy: 1.5524073331680817
Energy: 1.4603889629257325
Energy: 1.531145067549525
Energy: 1.4603889629257325
Energy: 1.5524073331680817
Energy: 1.4603889629257325
Energy: 1.4576244094618074
Energy: 1.374208916997272
Energy: 1.4576244094618074
Energy: 1.374208916997877
Energy: 1.4576244094618074
Energy: 1.374208916997272
Energy: 1.5077478704580336
Energy: 1.4486938663674283
Energy: 1.5077478704580336
Energy: 1.4486938663674283
Energy: 1.5077478704580336
Energy: 1.4486938663674283
Energy: 1.4578135127414897
Energy: 1.4926368368058012
Energy: 1.4578135127408842
Energy: 1.4926368368058012
Energy: 1.4578135127408842
Energy: 1.4926368368058012
Energy: 1.4472485951899994
Energy: 1.4484270860661155
Energy: 1.4472485951899994
Energy: 1.4484270860667208
Energy: 1.4472485951899994
Energy: 1.4484270860667208
Energy: 1.440897654639512
Energy: 1.456219522308363
Energy: 1.440897654639512
Energy: 1.456219522308363
Energy: 1.440897654639512
Energy: 1.456219522308363
Energy: 1.4594319567749032
Energy: 1.4589961571517078
Energy: 1.4594319567749032
Energy: 1.4589961571504972
Energy: 1.4594319567749032
Energy: 1.4589961571517078
Energy: 1.4473491783089956
Energy: 1.450915506486748
Energy: 1.4473491783096009
Energy: 1.4509155064879589
Energy: 1.4473491783089956
Energy: 1.450915506486143
Energy: 1.4523193385268534
Energy: 1.5202928740434842
Energy: 1.4523193385268534
Energy: 1.5202928740434842
Energy: 1.4523193385274586
Energy: 1.5202928740434842
Energy: 1.473648152374005
Energy: 1.5097147283377554
Energy: 1.473648152374005
Energy: 1.5097147283383607
Energy: 1.473648152374005
Energy: 1.5097147283383607
Energy: 1.4688258287056652
Energy: 1.450401863189564
Energy: 1.4688258287062708
Energy: 1.450401863189564
Energy: 1.4688258287056652
Energy: 1.450401863189564
Energy: 1.4747594137795321
Energy: 1.484300683601602
Energy: 1.4747594137795321
Energy: 1.484300683601602
Energy: 1.4747594137795321
Energy: 1.484300683601602
Energy: 1.4113770808972317
Energy: 1.4410798742580158
Energy: 1.411377080897837
Energy: 1.4410798742580158
Energy: 1.411377080897837
Energy: 1.4410798742580158
Energy: 1.5174055605663526
Energy: 1.4556644964720202
Energy: 1.5174055605663526
Energy: 1.4556644964720202
Energy: 1.5174055605663526
Energy: 1.4556644964720202
Energy: 1.4075937203426967
Energy: 1.4899218934978944
Energy: 1.4075937203426967
Energy: 1.4899218934972889
Energy: 1.4075937203426967
Energy: 1.4899218934966836
Energy: 1.5343768433050886
Energy: 1.5542917660577913
Energy: 1.5343768433050886
Energy: 1.5542917660577913
Energy: 1.5343768433050886
Energy: 1.5542917660577913
Energy: 1.4312784779834158
Energy: 1.4011945265347336
Energy: 1.4312784779840213
Energy: 1.4011945265347336
Energy: 1.4312784779840213
Energy: 1.4011945265347336
Energy: 1.4619102540953068
Energy: 1.5067927996405999
Energy: 1.4619102540953068
Energy: 1.5067927996405999
Energy: 1.4619102540953068
Energy: 1.5067927996405999
Energy: 1.3954007831525361
Energy: 1.4116561658804907
Energy: 1.3954007831525361
Energy: 1.4116561658804907
Energy: 1.3954007831525361
Energy: 1.4116561658804907
Energy: 1.5406976571661608
Energy: 1.5704862408394737
Energy: 1.540697657166766
Energy: 1.5704862408394737
Energy: 1.5406976571661608
Energy: 1.5704862408394737
Energy: 1.4572306849879402
Energy: 1.466153000493883
Energy: 1.4572306849879402
Energy: 1.466153000493883
Energy: 1.4572306849885455
Energy: 1.466153000493883
Energy: 1.5017868329794195
Energy: 1.505324978301681
Energy: 1.5017868329794195
Energy: 1.505324978301681
Energy: 1.5017868329794195
Energy: 1.505324978301681
Energy: 1.4540634011843545
Energy: 1.4477403345384643
Energy: 1.4540634011843545
Energy: 1.4477403345384643
Energy: 1.4540634011843545
Energy: 1.4477403345390696
Energy: 1.4012143124805245
Energy: 1.507636368267648
Energy: 1.4012143124805245
Energy: 1.507636368267648
Energy: 1.4012143124805245
Energy: 1.507636368267648
Energy: 1.4426838801187158
Energy: 1.5356050686502958
Energy: 1.4426838801181108
Energy: 1.5356050686502958
Energy: 1.4426838801187158
Energy: 1.5356050686502958
Energy: 1.469056229473326
Energy: 1.4069220928629027
Energy: 1.4690562294739313
Energy: 1.4069220928629027
Energy: 1.469056229473326
Energy: 1.4069220928629027
Energy: 1.4648602287017012
Energy: 1.4764528313344505
Energy: 1.4648602287017012
Energy: 1.4764528313350558
Energy: 1.4648602287017012
Energy: 1.4764528313350558
Energy: 1.4152057320318567
Energy: 1.3693401960430145
Energy: 1.4152057320318567
Energy: 1.3693401960436198
Energy: 1.4152057320318567
Energy: 1.3693401960430145
Energy: 1.447906271026588
Energy: 1.5227010806407242
Energy: 1.447906271026588
Energy: 1.5227010806407242
Energy: 1.447906271026588
Energy: 1.5227010806407242

minimum gb energy = 1.3693401960430145 eV
minimum distance =  2.24477908227265 Angstroms
sigma value = 57


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

Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.495076011321401
Energy: 1.4089263540874744
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.5280026316146067
Energy: 1.4081475372725614
Energy: 1.400670513436849
Energy: 1.3680895899471075
Energy: 1.400670513436849
Energy: 1.3680895899471075
Energy: 1.400670513436849
Energy: 1.3680895899471075
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.527757609946953
Energy: 1.4080392808680866
Energy: 1.4951047925485101
Energy: 1.468148612810053
Energy: 1.4951047925485101
Energy: 1.4601142801379399
Energy: 1.4951047925485101
Energy: 1.345136321914727
Energy: 1.3844392725830297
Energy: 1.322159822161031
Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.5280026316146067
Energy: 1.4081475372725614
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.400670513436849
Energy: 1.3065775315184864
Energy: 1.400670513436849
Energy: 1.3065775315184864
Energy: 1.400670513437926
Energy: 1.3065775315184864
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.4951047925485101
Energy: 1.345136321915804
Energy: 1.4951047925485101
Energy: 1.345136321914727
Energy: 1.4951047925485101
Energy: 1.345136321914727
Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.3844392725830297
Energy: 1.322159822162108
Energy: 1.3844392725830297
Energy: 1.322159822161031
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.4950760113203725
Energy: 1.4089263540863972
Energy: 1.495076011321401
Energy: 1.4089263540863972
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.5280026316146067
Energy: 1.4081475372736385
Energy: 1.400670513436849
Energy: 1.3065775315184864
Energy: 1.400670513436849
Energy: 1.3065775315184864
Energy: 1.400670513436849
Energy: 1.3065775315184864
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.5277576099458758
Energy: 1.4080392808680866
Energy: 1.527757609946953
Energy: 1.4080392808680866

minimum gb energy = 1.3065775315184864 eV
minimum distance =  2.27736172534855 Angstroms
sigma value = 9


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

Energy: 1.5531815005782588
Energy: 1.5927289114421777
Energy: 1.5531815005782588
Energy: 1.5927289114421777
Energy: 1.5531815005782588
Energy: 1.5927289114412981
Energy: 1.4662012737303567
Energy: 1.4678606785303756
Energy: 1.4662012737303567
Energy: 1.4678606785303756
Energy: 1.4662012737303567
Energy: 1.4678606785303756
Energy: 1.504891157063786
Energy: 1.4865422911441573
Energy: 1.504891157063786
Energy: 1.4865422911441573
Energy: 1.5048911570646657
Energy: 1.4865422911450368
Energy: 1.4684975746510778
Energy: 1.5568064766771272
Energy: 1.4684975746501983
Energy: 1.5568064766771272
Energy: 1.4684975746501983
Energy: 1.5568064766771272
Energy: 1.4789988164255317
Energy: 1.525856816562569
Energy: 1.4789988164255317
Energy: 1.525856816562569
Energy: 1.4789988164246521
Energy: 1.5258568165616897
Energy: 1.4883674193996272
Energy: 1.5106022426495025
Energy: 1.4883674193996272
Energy: 1.5106022426495025
Energy: 1.4883674193996272
Energy: 1.5106022426495025
Energy: 1.482816853506298
Energy: 1.5154865899249759
Energy: 1.482816853506298
Energy: 1.5154865899249759
Energy: 1.482816853506298
Energy: 1.5154865899249759
Energy: 1.4513627759564234
Energy: 1.5195669913201033
Energy: 1.4513627759564234
Energy: 1.5195669913201033
Energy: 1.4513627759564234
Energy: 1.5195669913201033
Energy: 1.5585561037713687
Energy: 1.5145857798115405
Energy: 1.5585561037713687
Energy: 1.514585779810661
Energy: 1.558556103772248
Energy: 1.5145857798097815
Energy: 1.4799014373345318
Energy: 1.506077391888259
Energy: 1.4799014373354114
Energy: 1.506077391888259
Energy: 1.4799014373345318
Energy: 1.506077391888259
Energy: 1.4504906475225248
Energy: 1.470733821260171
Energy: 1.4504906475225248
Energy: 1.470733821260171
Energy: 1.4504906475225248
Energy: 1.4707338212592915
Energy: 1.531611979139048
Energy: 1.5063657229706793
Energy: 1.531611979139048
Energy: 1.5063657229706793
Energy: 1.531611979139048
Energy: 1.5063657229706793
Energy: 1.453827335432849
Energy: 1.4989854083704337
Energy: 1.453827335432849
Energy: 1.4989854083704337
Energy: 1.453827335432849
Energy: 1.4989854083704337
Energy: 1.4609313972120734
Energy: 1.476136673585043
Energy: 1.460931397211194
Energy: 1.476136673585043
Energy: 1.4609313972120734
Energy: 1.476136673585043
Energy: 1.5681264236624883
Energy: 1.4882667927949833
Energy: 1.5681264236624883
Energy: 1.4882667927941038
Energy: 1.5681264236624883
Energy: 1.4882667927941038
Energy: 1.5675842758428893
Energy: 1.5605649484169428
Energy: 1.5675842758428893
Energy: 1.5605649484169428
Energy: 1.5675842758428893
Energy: 1.5605649484169428
Energy: 1.5852509277461826
Energy: 1.576834221796614
Energy: 1.5852509277470619
Energy: 1.5768342217974933
Energy: 1.5852509277461826
Energy: 1.5768342217974933
Energy: 1.6178103389934901
Energy: 1.500421262008776
Energy: 1.6178103389943694
Energy: 1.500421262008776
Energy: 1.6178103389934901
Energy: 1.500421262008776
Energy: 1.4620622436770356
Energy: 1.4805844275869604
Energy: 1.462062243676156
Energy: 1.4805844275869604
Energy: 1.462062243676156
Energy: 1.4805844275878401
Energy: 1.4748754466301237
Energy: 1.5171571888232038
Energy: 1.4748754466301237
Energy: 1.5171571888232038
Energy: 1.4748754466301237
Energy: 1.5171571888232038
Energy: 1.5307160544757983
Energy: 1.4915966400132683
Energy: 1.5307160544757983
Energy: 1.4915966400132683
Energy: 1.5307160544757983
Energy: 1.4915966400132683

minimum gb energy = 1.4504906475225248 eV
minimum distance =  2.24140607360781 Angstroms
sigma value = 27


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

Energy: 1.4705434719879669
Energy: 1.3557854672092393
Energy: 1.4705434719887083
Energy: 1.3557854672092393
Energy: 1.4705434719887083
Energy: 1.3557854672092393
Energy: 1.383763857300842
Energy: 1.4387782484580642
Energy: 1.383763857300842
Energy: 1.4387782484580642
Energy: 1.383763857300842
Energy: 1.4387782484580642
Energy: 1.4484617940002489
Energy: 1.4922685413230914
Energy: 1.4484617940002489
Energy: 1.4922685413230914
Energy: 1.4484617940002489
Energy: 1.4922685413230914
Energy: 1.4399218419449467
Energy: 1.4494979794334224
Energy: 1.4399218419449467
Energy: 1.4494979794334224
Energy: 1.4399218419456878
Energy: 1.4494979794341636
Energy: 1.4389813715426674
Energy: 1.4321971142339862
Energy: 1.4389813715426674
Energy: 1.4321971142339862
Energy: 1.4389813715434085
Energy: 1.4321971142339862
Energy: 1.3574387622884732
Energy: 1.474046853669476
Energy: 1.357438762287732
Energy: 1.474046853669476
Energy: 1.357438762287732
Energy: 1.474046853669476
Energy: 1.4698633879532148
Energy: 1.3647485775359263
Energy: 1.4698633879532148
Energy: 1.3647485775359263
Energy: 1.4698633879532148
Energy: 1.3647485775366677
Energy: 1.5224250733964273
Energy: 1.509858232130856
Energy: 1.522425073397169
Energy: 1.509858232132339
Energy: 1.5224250733964273
Energy: 1.5098582321315974
Energy: 1.3678584859204193
Energy: 1.4743086964725078
Energy: 1.3678584859211604
Energy: 1.4743086964725078
Energy: 1.3678584859196776
Energy: 1.4743086964725078
Energy: 1.4392801940050828
Energy: 1.364421240047338
Energy: 1.4392801940050828
Energy: 1.3644212400480793
Energy: 1.4392801940050828
Energy: 1.364421240047338
Energy: 1.4396999428067496
Energy: 1.364458774009206
Energy: 1.4396999428067496
Energy: 1.3644587740084646
Energy: 1.4396999428067496
Energy: 1.3644587740084646
Energy: 1.3679076125576646
Energy: 1.4734296414751014
Energy: 1.3679076125576646
Energy: 1.47342964147436
Energy: 1.3679076125576646
Energy: 1.47342964147436
Energy: 1.5227997873904722
Energy: 1.5093377071752831
Energy: 1.5227997873889894
Energy: 1.5093377071752831
Energy: 1.522799787388248
Energy: 1.5093377071752831
Energy: 1.4698278263083189
Energy: 1.3647364942295495
Energy: 1.4698278263075772
Energy: 1.3647364942295495
Energy: 1.4698278263083189
Energy: 1.3647364942295495
Energy: 1.357556149648971
Energy: 1.4739875123777633
Energy: 1.3575561496482293
Energy: 1.4739875123777633
Energy: 1.3575561496497122
Energy: 1.4739875123777633
Energy: 1.4391537464718562
Energy: 1.432232078136195
Energy: 1.4391537464718562
Energy: 1.432232078136195
Energy: 1.4391537464718562
Energy: 1.4322320781369364
Energy: 1.4398079389999296
Energy: 1.449197025898075
Energy: 1.4398079389991882
Energy: 1.449197025898075
Energy: 1.4398079389991882
Energy: 1.449197025898075
Energy: 1.4482245300062906
Energy: 1.4922439970141654
Energy: 1.4482245300062906
Energy: 1.492243997014907
Energy: 1.4482245300062906
Energy: 1.492243997014907
Energy: 1.3837414009129736
Energy: 1.438533077471157
Energy: 1.3837414009129736
Energy: 1.438533077471157
Energy: 1.3837414009129736
Energy: 1.438533077471157
Energy: 1.4705434719887083
Energy: 1.3557854672092393
Energy: 1.4705434719887083
Energy: 1.3557854672092393
Energy: 1.4705434719879669
Energy: 1.3557854672092393
Energy: 1.383763857300842
Energy: 1.4387782484580642
Energy: 1.383763857300842
Energy: 1.4387782484573228
Energy: 1.3837638573015834
Energy: 1.4387782484580642
Energy: 1.4484617939995073
Energy: 1.4922685413230914
Energy: 1.4484617940002489
Energy: 1.4922685413230914
Energy: 1.4484617939995073
Energy: 1.49226854132235
Energy: 1.4399218419449467
Energy: 1.4494979794311982
Energy: 1.4399218419449467
Energy: 1.4494979794319394
Energy: 1.4399218419449467
Energy: 1.4494979794326808
Energy: 1.4389813715434085
Energy: 1.4321971142339862
Energy: 1.4389813715426674
Energy: 1.4321971142339862
Energy: 1.4389813715426674
Energy: 1.4321971142339862
Energy: 1.357438762287732
Energy: 1.474046853669476
Energy: 1.357438762287732
Energy: 1.474046853669476
Energy: 1.357438762287732
Energy: 1.474046853669476

minimum gb energy = 1.3557854672092393 eV
minimum distance =  2.30357735555335 Angstroms
sigma value = 19


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

Energy: 1.459951229958258
Energy: 1.505552122179321
Energy: 1.459951229958258
Energy: 1.5055521221786814
Energy: 1.459951229958258
Energy: 1.5055521221786814
Energy: 1.4148522462853232
Energy: 1.4270300118331152
Energy: 1.4148522462853232
Energy: 1.4270300118324752
Energy: 1.4148522462859632
Energy: 1.4270300118331152
Energy: 1.576153658692806
Energy: 1.3939893767199096
Energy: 1.6431605459509686
Energy: 1.3939893767205496
Energy: 1.4779576144059212
Energy: 1.3939893767199096
Energy: 1.4046416296319095
Energy: 1.412534562970947
Energy: 1.4046416296319095
Energy: 1.412534562970947
Energy: 1.4046416296312696
Energy: 1.412534562970947
Energy: 1.4187831176685357
Energy: 1.4877827059286632
Energy: 1.4187831176678956
Energy: 1.4877827059286632
Energy: 1.4187831176685357
Energy: 1.4877827059286632
Energy: 1.4186809284569364
Energy: 1.416322636873967
Energy: 1.4186809284569364
Energy: 1.416322636873967
Energy: 1.4186809284562965
Energy: 1.4163226368733273
Energy: 1.385447668423408
Energy: 1.5514130095339265
Energy: 1.385447668423408
Energy: 1.5514130095339265
Energy: 1.385447668423408
Energy: 1.5514130095339265
Energy: 1.4272288927827115
Energy: 1.5852952468336718
Energy: 1.4272288927827115
Energy: 1.5852952468336718
Energy: 1.4272288927827115
Energy: 1.5852952468336718
Energy: 1.5280548525351332
Energy: 1.3856027238756694
Energy: 1.5280548525344932
Energy: 1.3856027238756694
Energy: 1.5280548525351332
Energy: 1.3856027238756694
Energy: 1.4785203130728846
Energy: 1.409527582240264
Energy: 1.4785203130728846
Energy: 1.409527582240264
Energy: 1.4785203130728846
Energy: 1.409527582240264
Energy: 1.3873977687651644
Energy: 1.5523371130906127
Energy: 1.3873977687645245
Energy: 1.5523371130906127
Energy: 1.3873977687645245
Energy: 1.5523371130906127
Energy: 1.4736421223494316
Energy: 1.4017348581764808
Energy: 1.4736421223500717
Energy: 1.4017348581771207
Energy: 1.4736421223494316
Energy: 1.4017348581771207
Energy: 1.450822416748104
Energy: 1.4347317849943668
Energy: 1.4508224167487438
Energy: 1.4347317849943668
Energy: 1.450822416748104
Energy: 1.4347317849943668
Energy: 1.4153963610100386
Energy: 1.410183063310561
Energy: 1.4153963610100386
Energy: 1.4101830633112007
Energy: 1.4153963610100386
Energy: 1.410183063310561
Energy: 1.443941853850855
Energy: 1.3701441425835954
Energy: 1.443941853850855
Energy: 1.3701441425842353
Energy: 1.443941853849575
Energy: 1.3701441425842353
Energy: 1.5372088867722051
Energy: 1.3901965589933414
Energy: 1.5372088867722051
Energy: 1.3901965589933414
Energy: 1.5372088867722051
Energy: 1.3901965589933414
Energy: 1.4228151591965168
Energy: 1.4254010902598129
Energy: 1.4228151591965168
Energy: 1.4254010902598129
Energy: 1.4228151591965168
Energy: 1.425401090259173
Energy: 1.4545781910120676
Energy: 1.5786087507075774
Energy: 1.4545781910120676
Energy: 1.5786087507075774
Energy: 1.4545781910127078
Energy: 1.5786087507075774
Energy: 1.4768529557262309
Energy: 1.4151895849377985
Energy: 1.4768529557262309
Energy: 1.4151895849377985
Energy: 1.476852955726871
Energy: 1.4151895849377985
Energy: 1.3990100524216829
Energy: 1.4456222947518262
Energy: 1.3990100524216829
Energy: 1.4456222947518262
Energy: 1.3990100524216829
Energy: 1.4456222947518262
Energy: 1.3639045935674265
Energy: 1.5710895076162834
Energy: 1.3639045935674265
Energy: 1.5710895076162834
Energy: 1.3639045935674265
Energy: 1.5710895076162834
Energy: 1.530220615337501
Energy: 1.3974577963953942
Energy: 1.5302206153362212
Energy: 1.3974577963953942
Energy: 1.5302206153368612
Energy: 1.3974577963953942
Energy: 1.5243441523669388
Energy: 1.4222289655853573
Energy: 1.5243441523662988
Energy: 1.4222289655847173
Energy: 1.5243441523650192
Energy: 1.4222289655853573
Energy: 1.4507096803406518
Energy: 1.5173714510745793
Energy: 1.4507096803412916
Energy: 1.5173714510745793
Energy: 1.4507096803406518
Energy: 1.5173714510739393
Energy: 1.4369825815216792
Energy: 1.4136185678083257
Energy: 1.4369825815216792
Energy: 1.4136185678083257
Energy: 1.4369825815216792
Energy: 1.4136185678083257
Energy: 1.4563566004624973
Energy: 1.3980898801669874
Energy: 1.4563566004624973
Energy: 1.3980898801676274
Energy: 1.4563566004624973
Energy: 1.3980898801676274
Energy: 1.379698368068748
Energy: 1.4213716730282557
Energy: 1.379698368068748
Energy: 1.4213716730282557
Energy: 1.379698368068108
Energy: 1.4213716730282557
Energy: 1.4851978185663388
Energy: 1.4063338960025076
Energy: 1.4851978185663388
Energy: 1.4063338960031475
Energy: 1.4851978185663388
Energy: 1.4063338960025076
Energy: 1.4379906438764316
Energy: 1.4082058482490032
Energy: 1.4379906438764316
Energy: 1.408205848248363
Energy: 1.4379906438764316
Energy: 1.4082058482490032

minimum gb energy = 1.3639045935674265 eV
minimum distance =  2.26732865823874 Angstroms
sigma value = 101


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

Energy: 1.3596386888965797
Energy: 1.4211434396203102
Energy: 1.3596386888965797
Energy: 1.4211434396208726
Energy: 1.3596386888960175
Energy: 1.4211434396208726
Energy: 1.4714969003683853
Energy: 1.3555463521903062
Energy: 1.4714969003683853
Energy: 1.3555463521908688
Energy: 1.4714969003683853
Energy: 1.3555463521897437
Energy: 1.3850579531859162
Energy: 1.335020468257332
Energy: 1.3850579531853537
Energy: 1.335020468257332
Energy: 1.3850579531859162
Energy: 1.335020468257332
Energy: 1.2990724572257049
Energy: 1.5467359221589605
Energy: 1.2990724572251424
Energy: 1.5467359221589605
Energy: 1.2990724572251424
Energy: 1.5467359221589605
Energy: 1.4101671552487132
Energy: 1.391310838089467
Energy: 1.4101671552492756
Energy: 1.391310838089467
Energy: 1.4101671552487132
Energy: 1.3913108380900294
Energy: 1.4127777643964854
Energy: 1.3179998136019357
Energy: 1.4127777643959227
Energy: 1.3179998136019357
Energy: 1.4127777643959227
Energy: 1.3179998136019357
Energy: 1.365248522544665
Energy: 1.4648034263966445
Energy: 1.3652485225441022
Energy: 1.4648034263966445
Energy: 1.365248522544665
Energy: 1.4648034263966445
Energy: 1.3206866685810161
Energy: 1.4944914840766859
Energy: 1.3206866685804535
Energy: 1.4144500941328373
Energy: 1.3206866685804535
Energy: 1.4144500941333997
Energy: 1.422467294905383
Energy: 1.319349712407572
Energy: 1.422467294905383
Energy: 1.319349712407572
Energy: 1.422467294905383
Energy: 1.319349712407572
Energy: 1.4073927760947447
Energy: 1.3860829052079657
Energy: 1.4073927760947447
Energy: 1.3860829052079657
Energy: 1.4073927760947447
Energy: 1.3860829052085282
Energy: 1.2971919915428496
Energy: 1.6070927956419647
Energy: 1.2971919915428496
Energy: 1.6070927956419647
Energy: 1.2971919915428496
Energy: 1.6070927956419647
Energy: 1.4702365321922672
Energy: 1.3566072441290664
Energy: 1.470236532190017
Energy: 1.356607244128504
Energy: 1.470236532190017
Energy: 1.356607244128504
Energy: 1.3851350007012926
Energy: 1.3194454284769135
Energy: 1.3851350007012926
Energy: 1.3194454284769135
Energy: 1.3851350007012926
Energy: 1.319445428477476
Energy: 1.3602808695360198
Energy: 1.454235498289635
Energy: 1.3602808695354573
Energy: 1.454235498289635
Energy: 1.3602808695360198
Energy: 1.454235498289635
Energy: 1.4584046487447286
Energy: 1.3668707550264168
Energy: 1.458404648744166
Energy: 1.3668707550264168
Energy: 1.458404648744166
Energy: 1.3668707550264168
Energy: 1.3849585021906505
Energy: 1.3380359625610525
Energy: 1.384958502191213
Energy: 1.3380359625610525
Energy: 1.384958502191213
Energy: 1.3380359625610525
Energy: 1.2991584075783262
Energy: 1.4779391470318732
Energy: 1.2991584075788887
Energy: 1.4779391470313106
Energy: 1.2991584075783262
Energy: 1.4779391470313106
Energy: 1.3087446196388453
Energy: 1.3895865088324806
Energy: 1.308744619639408
Energy: 1.389586508833043
Energy: 1.308744619639408
Energy: 1.3895865088324806
Energy: 1.4117400884555125
Energy: 1.3193851016950562
Energy: 1.4117400884555125
Energy: 1.3193851016950562
Energy: 1.4117400884555125
Energy: 1.3193851016956184
Energy: 1.3898691022964635
Energy: 1.4328321896198268
Energy: 1.3898691022970262
Energy: 1.4328321896192644
Energy: 1.3898691022970262
Energy: 1.4328321896198268
Energy: 1.3177520704048709
Energy: 1.5913310530319746
Energy: 1.3177520704048709
Energy: 1.5913310530319746
Energy: 1.3177520704043082
Energy: 1.5913310530319746
Energy: 1.4471663775245012
Energy: 1.31782991913418
Energy: 1.4471663775273138
Energy: 1.317829919135305
Energy: 1.447166377525626
Energy: 1.3178299191347425
Energy: 1.476400948298162
Energy: 1.3124207787487343
Energy: 1.476400948298162
Energy: 1.3124207787487343
Energy: 1.476400948298162
Energy: 1.3124207787492965
Energy: 1.2989841946447538
Energy: 1.4714697546448012
Energy: 1.2989841946441913
Energy: 1.471469754645364
Energy: 1.2989841946447538
Energy: 1.4714697546448012
Energy: 1.59528253818594
Energy: 1.3652440332963418
Energy: 1.595282538184815
Energy: 1.3652440332969045
Energy: 1.59528253818594
Energy: 1.3652440332969045
Energy: 1.3884933450998576
Energy: 1.3377985110525954
Energy: 1.3884933450998576
Energy: 1.3377985110525954
Energy: 1.3884933450998576
Energy: 1.337798511053158
Energy: 1.3600916786299304
Energy: 1.446015670057298
Energy: 1.360091678630493
Energy: 1.446015670057298
Energy: 1.360091678629368
Energy: 1.446015670057298
Energy: 1.3604729970194573
Energy: 1.362626442482301
Energy: 1.36047299702002
Energy: 1.3626264424817383
Energy: 1.36047299702002
Energy: 1.362626442482301
Energy: 1.4756159297393014
Energy: 1.3349137625837895
Energy: 1.4756159297398639
Energy: 1.3349137625837895
Energy: 1.4756159297393014
Energy: 1.3349137625837895
Energy: 1.3315713914473446
Energy: 1.445981245675711
Energy: 1.331571391447907
Energy: 1.445981245675711
Energy: 1.3315713914473446
Energy: 1.445981245675711
Energy: 1.2972942697740948
Energy: 1.4142513277035638
Energy: 1.2972942697740948
Energy: 1.4142513277035638
Energy: 1.2972942697735321
Energy: 1.4142513277041262
Energy: 1.5110259662864682
Energy: 1.3176474479759757
Energy: 1.5110259662864682
Energy: 1.3176474479759757
Energy: 1.511025966287031
Energy: 1.3176474479759757
Energy: 1.4713938320886837
Energy: 1.3449987944467616
Energy: 1.4713938320886837
Energy: 1.3449987944467616
Energy: 1.4713938320886837
Energy: 1.344998794447324

minimum gb energy = 1.2971919915428496 eV
minimum distance =  2.29240021184443 Angstroms
sigma value = 33


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

Energy: 0.020516927162615238
Energy: 1.1180116520908765
Energy: 0.020516927162615238
Energy: 1.1180116520904093
Energy: 0.020516927162615238
Energy: 1.118011652091292
Energy: 0.021419582621477664
Energy: 0.4350018733162333
Energy: 0.021419582621010264
Energy: 0.4350018733162333
Energy: 0.021419582621010264
Energy: 0.4350018733162333
Energy: 1.117760848331028
Energy: 0.43516629860387085
Energy: 1.1176042119954412
Energy: 0.4351663071343682
Energy: 1.117633150770051
Energy: 0.43516629573324517
Energy: 0.02141958262054286
Energy: 0.4350018733157659
Energy: 0.021419582621010264
Energy: 0.4350018733157659
Energy: 0.021419582621010264
Energy: 0.4350018733157659

minimum gb energy = 0.020516927162615238 eV
minimum distance =  2.48408830022491 Angstroms
sigma value = 1