Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978306989
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.018146670577867105
Energy: 0.018404690554358265
Energy: 1.4669378425447377
Energy: 0.018404690554358265
Energy: 0.018404690554358265
Energy: 1.2243205973738365
Energy: 0.01840469055369726
Energy: 1.2243205973738365
Energy: 1.4669378425434525
Energy: 0.01840469055369726
Energy: 0.018146670577867105
Energy: 0.01840469055369726
Energy: 0.01840469055369726
Energy: 1.2243205973738365
Energy: 0.018404690554358265
Energy: 1.2243205973744606

minimum gb energy = 0.018146670577867105 eV
minimum distance =  2.42645588159877 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.568371489924679
Energy: 1.5483789040982423
Energy: 1.4556494192914984
Energy: 1.548378904099044
Energy: 1.4453902480493686
Energy: 1.494993415077116
Energy: 1.453057378856195
Energy: 1.494993415077116
Energy: 1.4030913627105879
Energy: 1.5344869281604103
Energy: 1.4888373875925571
Energy: 1.534486928159609
Energy: 1.4369781592731194
Energy: 1.5070866174184354
Energy: 1.4015838073035192
Energy: 1.5070866174200388
Energy: 1.4090089985679068
Energy: 1.5545762011050224
Energy: 1.470248579185346
Energy: 1.5545762011042208
Energy: 1.3783673412687378
Energy: 1.7187146597752156
Energy: 1.3768916286176327
Energy: 1.718714659776819
Energy: 1.449358186633948
Energy: 1.5319393097711766
Energy: 1.3800390952662835
Energy: 1.5319393097711766
Energy: 1.3209132902598806
Energy: 1.557599669556337
Energy: 1.3764567520105364
Energy: 1.5575996695547336
Energy: 1.400739427232341
Energy: 1.7368681571327715
Energy: 1.4607688591295074
Energy: 1.7368681571319697
Energy: 1.3650356244137252
Energy: 1.5331768496170493
Energy: 1.3130181102033958
Energy: 1.5331768496170493
Energy: 1.4731104762655096
Energy: 1.5133800140153137
Energy: 1.4006977740073727
Energy: 1.5133800140153137
Energy: 1.4634862166703289
Energy: 1.5548716236847968
Energy: 1.380843173597262
Energy: 1.5548716236855984
Energy: 1.4509485562233881
Energy: 1.5305676165476654
Energy: 1.4479435108214882
Energy: 1.5305676165492685
Energy: 1.4173348687410743
Energy: 1.5392512647202115
Energy: 1.3897760154141556
Energy: 1.5392512647210133
Energy: 1.4310051946869213
Energy: 1.549359556612157
Energy: 1.4450631995991983
Energy: 1.5493595566105536
Energy: 1.4291542101510937
Energy: 1.5488487948571865
Energy: 1.4444826303299525
Energy: 1.5488487948571865
Energy: 1.4890310555322026
Energy: 1.534485556246496
Energy: 1.3589374026773104
Energy: 1.5344855562480995
Energy: 1.4530421435580059
Energy: 1.5033812351896805
Energy: 1.4838668408069269
Energy: 1.5033812351888787
Energy: 1.334896349279836
Energy: 1.554155227139801
Energy: 1.3792822230409632
Energy: 1.554155227139801
Energy: 1.4836325216008843
Energy: 1.7155819295599852
Energy: 1.4031586384256511
Energy: 1.7155819295591836
Energy: 1.3798982490289768
Energy: 1.5345799352670098
Energy: 1.325899884732013
Energy: 1.534579935266208
Energy: 1.4010575923420234
Energy: 1.424940815984379
Energy: 1.462799789322684
Energy: 1.4249408159851806
Energy: 1.4312391515392278
Energy: 1.5545557169848117
Energy: 1.3633971887162364
Energy: 1.5545557169856132
Energy: 1.4138019884639783
Energy: 1.5303544373839675
Energy: 1.3783084655419748
Energy: 1.530354437384769
Energy: 1.3800304988117957
Energy: 1.718926698041892
Energy: 1.4481582270456264
Energy: 1.7189266980402889
Energy: 1.4057785002341867
Energy: 1.5554626306983916
Energy: 1.3946161135156614
Energy: 1.5554626306983916
Energy: 1.4406070340898895
Energy: 1.747217498491535
Energy: 1.4006293897888056
Energy: 1.7472174984907332
Energy: 1.3913185052040067
Energy: 1.5305487992435056
Energy: 1.5459706921740701
Energy: 1.5305487992435056
Energy: 1.4442150247437373
Energy: 1.4913145171811604
Energy: 1.4477476086323506
Energy: 1.4913145171803588
Energy: 1.5149433384952584
Energy: 1.550037170037087
Energy: 1.4633156235249918
Energy: 1.550037170037087
Energy: 1.4494429296650964
Energy: 1.5378073418755258
Energy: 1.4509127289402364
Energy: 1.5378073418755258
Energy: 1.4157010951877251
Energy: 1.5297164821844278
Energy: 1.4168168938312518
Energy: 1.5297164821836262
Energy: 1.4087944140471886
Energy: 1.5076951664464062
Energy: 1.4060161903378863
Energy: 1.5076951664456046

minimum gb energy = 1.3130181102033958 eV
minimum distance =  2.24139114736319 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.6646000939425014
Energy: 1.647410499351492
Energy: 1.5480361459745233
Energy: 1.647410499351492
Energy: 1.4951014312104274
Energy: 1.5878676897453101
Energy: 1.5109115900391417
Energy: 1.5878676897453101
Energy: 1.4562655564956921
Energy: 1.6505577920024126
Energy: 1.5317090450370778
Energy: 1.6505577919987564
Energy: 1.4486912860541923
Energy: 1.4632441143449926
Energy: 1.4332300015963289
Energy: 1.4632441143449926
Energy: 1.448783449827424
Energy: 1.6198577019009093
Energy: 1.5048645656208173
Energy: 1.6198577019027371
Energy: 1.550567122784112
Energy: 1.6199917501790528
Energy: 1.532075219252893
Energy: 1.619991750177225
Energy: 1.4950700599890743
Energy: 1.4636722177982757
Energy: 1.4528654724641628
Energy: 1.4636722177982757
Energy: 1.3669791910806106
Energy: 1.651101413877949
Energy: 1.4208422283619266
Energy: 1.6511014138788627
Energy: 1.4493771982425883
Energy: 2.080612712640429
Energy: 1.5504652280482318
Energy: 2.080612712642257
Energy: 1.437371540926147
Energy: 1.650635229171276
Energy: 1.5061583415554751
Energy: 1.650635229171276
Energy: 1.4962239645911959
Energy: 1.56781881103858
Energy: 1.5180949040531502
Energy: 1.56781881103858
Energy: 1.4093943595662655
Energy: 1.6319499654193386
Energy: 1.4787007727390984
Energy: 1.6319499654202527
Energy: 1.5349502424781565
Energy: 1.6144916826120281
Energy: 1.500771166313742
Energy: 1.6144916826138562
Energy: 1.5348695083262278
Energy: 1.6145150180164374
Energy: 1.4600954970830693
Energy: 1.6145150180182652
Energy: 1.4092308170374828
Energy: 1.6319306583788875
Energy: 1.5734538408463434
Energy: 1.6319306583798017
Energy: 1.4960842883081062
Energy: 1.5676703995372798
Energy: 1.5107644836126561
Energy: 1.5676703995363657
Energy: 1.4376101228205902
Energy: 1.6503653845465691
Energy: 1.3902416748553579
Energy: 1.6503653845465691
Energy: 1.4495406837484417
Energy: 2.08066991162676
Energy: 1.550366415666782
Energy: 2.0806699116258467
Energy: 1.3669609986782225
Energy: 1.6504151047718714
Energy: 1.4208915585610433
Energy: 1.6504151047700433
Energy: 1.495024724969306
Energy: 1.463493490789532
Energy: 1.433010392599825
Energy: 1.4634934907877042
Energy: 1.550476685912399
Energy: 1.620015705366976
Energy: 1.4027788436320916
Energy: 1.620015705368804
Energy: 1.4490225975266289
Energy: 1.6198841248300009
Energy: 1.5061873608687786
Energy: 1.619884124831829
Energy: 1.4488517160350576
Energy: 1.4631822077991106
Energy: 1.4303165245200085
Energy: 1.4631822077991106
Energy: 1.456273375317702
Energy: 1.650576267434627
Energy: 1.5765075696401964
Energy: 1.6505762674355406
Energy: 1.4952525918272057
Energy: 1.593714948705465
Energy: 1.5106720430450704
Energy: 1.5937149487027227
Energy: 1.6646000939425014
Energy: 1.647410499351492
Energy: 1.5480361459745233
Energy: 1.647410499351492
Energy: 1.4951014312104274
Energy: 1.5878676897443964
Energy: 1.5109115900400554
Energy: 1.5878676897453101
Energy: 1.4562655564947782
Energy: 1.6505577920024126
Energy: 1.4788942988455964
Energy: 1.6505577919978425
Energy: 1.4486912860541923
Energy: 1.4632441143449926
Energy: 1.4332300015972428
Energy: 1.4632441143468207

minimum gb energy = 1.3669609986782225 eV
minimum distance =  2.23887868236109 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5624149452324883
Energy: 1.7144424846929789
Energy: 1.7057429458002926
Energy: 1.7144424846929789
Energy: 1.5882809305400674
Energy: 1.6419887660259953
Energy: 1.5242916894340304
Energy: 1.6419887660259953
Energy: 1.5304770691238898
Energy: 1.769518466427483
Energy: 1.5312302119143708
Energy: 1.769518466427483
Energy: 1.53279933120987
Energy: 1.5399586956650388
Energy: 1.4860514272803003
Energy: 1.5399586956650388
Energy: 1.4869602438155585
Energy: 1.7421490656018563
Energy: 1.5840018438004075
Energy: 1.742149065602919
Energy: 1.6386377458194503
Energy: 1.7677288011451366
Energy: 1.7469650259035787
Energy: 1.767728801144074
Energy: 1.5862494756253167
Energy: 1.5252151417679252
Energy: 1.524657486725812
Energy: 1.5252151417689876
Energy: 1.7452772932953728
Energy: 1.721708293833234
Energy: 1.4439306165440635
Energy: 1.721708293833234
Energy: 1.524525728177683
Energy: 1.6414989663325659
Energy: 1.58602906348353
Energy: 1.6414989663325659
Energy: 1.5267794129323276
Energy: 1.7682966392812451
Energy: 1.4762761455227826
Energy: 1.7682966392823076
Energy: 1.5833009884195477
Energy: 1.712076351893971
Energy: 1.5859808998430402
Energy: 1.7120763518918463
Energy: 1.5487289467904182
Energy: 1.7142927830516577
Energy: 1.5230926534698217
Energy: 1.7142927830527201
Energy: 1.5309616287071726
Energy: 1.6616344536407484
Energy: 1.474323162941056
Energy: 1.6616344536407484
Energy: 1.5241216039676437
Energy: 1.6301773637059163
Energy: 1.5979079235791227
Energy: 1.6301773637059163
Energy: 1.5847902953074227
Energy: 1.723916194113857
Energy: 1.4426105021312798
Energy: 1.723916194113857
Energy: 1.5865781059800934
Energy: 1.53384529784183
Energy: 1.4861194531566848
Energy: 1.53384529784183
Energy: 1.4222971464918326
Energy: 1.7697316532460465
Energy: 1.4221422097541447
Energy: 1.7697316532460465
Energy: 1.48564505755552
Energy: 1.6517114968509012
Energy: 1.585344268099533
Energy: 1.6517114968498385
Energy: 1.5177316953513966
Energy: 1.6725382993909104
Energy: 1.4867874754847021
Energy: 1.6725382993898477
Energy: 1.5984662299847863
Energy: 1.7673046489668822
Energy: 1.5329648425214515
Energy: 1.7673046489668822
Energy: 1.5341926744645333
Energy: 1.6411615801581652
Energy: 1.52323202508683
Energy: 1.6411615801581652
Energy: 1.563652281250218
Energy: 1.7156557313561978
Energy: 1.650003990057424
Energy: 1.7156557313561978
Energy: 1.5863812494194225
Energy: 1.6520827296125349
Energy: 1.5230933301061371
Energy: 1.6520827296125349
Energy: 1.5283395757371092
Energy: 1.7679286293023766
Energy: 1.5270271036596654
Energy: 1.7679286293023766
Energy: 1.5869083906204682
Energy: 1.539620817202557
Energy: 1.4870162983700665
Energy: 1.5396208172036194

minimum gb energy = 1.4221422097541447 eV
minimum distance =  2.23553491300255 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.629864465553844
Energy: 1.6301337883924167
Energy: 1.8793085444712951
Energy: 1.6301337883924167
Energy: 1.5688721246043658
Energy: 1.7266206094755534
Energy: 1.5892061368702985
Energy: 1.7266206094755534
Energy: 1.6050786334523643
Energy: 1.64696427496889
Energy: 1.6226381635029747
Energy: 1.646964274966355
Energy: 1.8990643379647998
Energy: 1.6144300283220065
Energy: 1.519727403692501
Energy: 1.614430028320739
Energy: 1.7338353610593034
Energy: 1.727770863783235
Energy: 1.8787202442892568
Energy: 1.7277708637845024
Energy: 1.4686375004213132
Energy: 1.6459948699471243
Energy: 1.64049635602943
Energy: 1.6459948699483917
Energy: 1.5841629210890822
Energy: 1.5189121110652568
Energy: 1.5199471681382664
Energy: 1.5189121110652568
Energy: 1.6666368760235246
Energy: 1.6458976622568013
Energy: 1.5021241497054514
Energy: 1.6458976622555341
Energy: 1.5850084920708827
Energy: 1.7265399923881195
Energy: 1.687926072570767
Energy: 1.7265399923881195
Energy: 1.6231175388856762
Energy: 1.6307670918190593
Energy: 1.6408475336903214
Energy: 1.6307670918177917
Energy: 1.5284112440348105
Energy: 1.743261281328061
Energy: 1.6055901644841584
Energy: 1.743261281328061
Energy: 1.6247110356644443
Energy: 1.7165456991963028
Energy: 1.51991425825893
Energy: 1.7165456991950354
Energy: 1.4683433502085534
Energy: 1.6470653543375005
Energy: 1.6646526406512694
Energy: 1.6470653543375005
Energy: 1.6027309789144144
Energy: 1.6014942278458133
Energy: 1.5881939538323289
Energy: 1.6014942278470807
Energy: 1.4683545860649558
Energy: 1.647080175889483
Energy: 1.666948188292823
Energy: 1.6470801758907507
Energy: 1.6248073586949987
Energy: 1.7164354496474739
Energy: 1.5201381217532133
Energy: 1.7164354496474739
Energy: 1.5286521161822977
Energy: 1.743285833533083
Energy: 1.620077278248148
Energy: 1.7432858335343504
Energy: 1.6231515077875571
Energy: 1.63057785230153
Energy: 1.641006250438538
Energy: 1.6305778523027976
Energy: 1.584822330888655
Energy: 1.7268996330210966
Energy: 1.5893719431254316
Energy: 1.7268996330198294
Energy: 1.6668167460425798
Energy: 1.646140386773622
Energy: 1.5021202909287055
Energy: 1.6461403867748898
Energy: 1.5840349450148563
Energy: 1.5190117050281389
Energy: 1.520134006581232
Energy: 1.5190117050281389

minimum gb energy = 1.4683433502085534 eV
minimum distance =  2.32865479864655 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5413556883819926
Energy: 1.8897300256145604
Energy: 1.7424839178938818
Energy: 1.8897300256145604
Energy: 1.5136640680824973
Energy: 1.5554247224193218
Energy: 1.4939002553461405
Energy: 1.5554247224193218
Energy: 1.704079312590678
Energy: 1.795853300203702
Energy: 1.494283349410275
Energy: 1.79585330021154
Energy: 1.539874175817495
Energy: 1.7782963886706378
Energy: 1.7532810897680846
Energy: 1.7782963886675025
Energy: 1.7526503583746498
Energy: 1.5133344380997655
Energy: 1.493809431417447
Energy: 1.5133344380997655
Energy: 1.4934117487797662
Energy: 1.7943756046490191
Energy: 1.7026366995083746
Energy: 1.7943756046490191
Energy: 1.4951193592108862
Energy: 1.7350541682487521
Energy: 1.4933523374739988
Energy: 1.7350541682503198
Energy: 1.7325647766018313
Energy: 1.6297548715204182
Energy: 1.5403715501198139
Energy: 1.6297548715173187
Energy: 1.494184927646853
Energy: 1.6329953199635483
Energy: 1.5159387606941168
Energy: 1.6329953199635483
Energy: 1.7931328926373549
Energy: 1.6616476976956915
Energy: 1.7023599960386857
Energy: 1.6616476976941237
Energy: 1.6473419197452248
Energy: 1.7774711547473316
Energy: 1.9858500808763377
Energy: 1.7774711547473316
Energy: 1.493766352230382
Energy: 1.5623126766256465
Energy: 1.7939583763012623
Energy: 1.5623126766256465
Energy: 1.7423759019781213
Energy: 1.7948993523175314
Energy: 1.4933178733380998
Energy: 1.7948993523175314
Energy: 1.4940648737930933
Energy: 1.759941479949482
Energy: 1.7501798838591396
Energy: 1.7599414799479143
Energy: 1.4936820083578508
Energy: 1.7573278435675936
Energy: 1.7325513505498902
Energy: 1.7573278435675936
Energy: 1.5133394934480975
Energy: 1.662091460207854
Energy: 1.4935132858975713
Energy: 1.662091460204719
Energy: 1.4934204282332761
Energy: 1.6379693811973652
Energy: 1.7934976484660736
Energy: 1.6379693811973652

minimum gb energy = 1.4933178733380998 eV
minimum distance =  2.32101767092926 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.6731341188958742
Energy: 1.6736668901387273
Energy: 2.0282981817615435
Energy: 1.6736668901387273
Energy: 1.763404969476839
Energy: 1.704843440534303
Energy: 1.526760495207001
Energy: 1.704843440534303
Energy: 1.9351891530851553
Energy: 1.664840801063944
Energy: 1.525404979081561
Energy: 1.664840801063056
Energy: 1.5278589043348216
Energy: 1.8661098374732696
Energy: 1.6836195383890449
Energy: 1.8661098374732696
Energy: 1.8239183920852289
Energy: 1.644549415636957
Energy: 1.6010343907862452
Energy: 1.6445494156378448
Energy: 1.5449738902706918
Energy: 1.6965621323438753
Energy: 1.9025407865101052
Energy: 1.696562132344763
Energy: 1.527875035758995
Energy: 1.7024884856244438
Energy: 1.6149340263268979
Energy: 1.7024884856244438
Energy: 1.9341083523050189
Energy: 1.6953000400110967
Energy: 1.5430748654306357
Energy: 1.695300040009321
Energy: 1.544245244826483
Energy: 1.6982255165465339
Energy: 1.8178722291068163
Energy: 1.6982255165456464
Energy: 1.9249764969981937
Energy: 1.6431262519899794
Energy: 1.526207720830172
Energy: 1.6431262519899794
Energy: 1.5315836320509257
Energy: 1.7083305655629786
Energy: 1.9316125891056923
Energy: 1.7083305655620906
Energy: 1.544597724649818
Energy: 1.7004912428947092
Energy: 1.54477280075482
Energy: 1.7004912428947092
Energy: 1.7554258290897384
Energy: 1.6736265983903174
Energy: 1.6799328702860936
Energy: 1.6736265983903174
Energy: 1.5254907043903936
Energy: 1.7227582447158738
Energy: 1.7653965464686685
Energy: 1.722758244698118
Energy: 1.6972010068640904
Energy: 1.7034133858628526
Energy: 1.544251884080361
Energy: 1.7034133858637404
Energy: 1.7595298223349862
Energy: 1.6948162833168554
Energy: 1.7941653908187059
Energy: 1.6948162833159677
Energy: 1.61422645617756
Energy: 1.7650869608747939
Energy: 1.9347051013497847
Energy: 1.7650869608747939
Energy: 1.8749476329968693
Energy: 1.6688038051969916
Energy: 1.5447971202396054
Energy: 1.6688038051996548
Energy: 1.6944010827334195
Energy: 1.7616971209546444
Energy: 1.632578754156
Energy: 1.7616971209546444
Energy: 1.6133471648771616
Energy: 1.8670244067427908
Energy: 1.6629716594836423
Energy: 1.8670244067427908
Energy: 1.6587808539841093
Energy: 1.6637406408541116
Energy: 1.788542272650012
Energy: 1.6637406408541116
Energy: 1.6135197592496089
Energy: 1.8469694185707946
Energy: 1.9603983213393497
Energy: 1.8469694185707946
Energy: 1.8092162854657559
Energy: 1.6739911526773845
Energy: 1.5247858369356229
Energy: 1.6739911526773845
Energy: 1.5448996137098017
Energy: 1.761571765656313
Energy: 1.9156468243443021
Energy: 1.761571765657201
Energy: 1.6418490300077455
Energy: 1.6640520836631398
Energy: 1.9201041639858958
Energy: 1.6640520836631398
Energy: 1.8101361525208148
Energy: 1.7086982997006044
Energy: 1.5268349365740235
Energy: 1.7086982997006044
Energy: 1.5674946474341382
Energy: 1.774285428996073
Energy: 1.9916379227973822
Energy: 1.774285428996073
Energy: 1.7564621216203011
Energy: 1.6951899259867935
Energy: 1.7902569317128014
Energy: 1.6951899259859058
Energy: 1.8993168768374442
Energy: 1.8113709931976099
Energy: 1.5271836273799588
Energy: 1.8113709931976099
Energy: 1.5427064092279479
Energy: 1.7591644864128413
Energy: 1.8735989103821384
Energy: 1.7591644864128413

minimum gb energy = 1.5247858369356229 eV
minimum distance =  2.21524851294282 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4290652430710258
Energy: 1.4287323261374973
Energy: 1.9726633372642384
Energy: 1.4287323261374973
Energy: 1.7944557512952346
Energy: 1.6216730366148255
Energy: 1.7908445463604414
Energy: 1.6216730366148255
Energy: 1.4606050288682169
Energy: 1.428612843986958
Energy: 1.7673138816169807
Energy: 1.428612843986958
Energy: 1.4607120459119738
Energy: 1.428711714847154
Energy: 1.6583406243911782
Energy: 1.4287117148491977
Energy: 1.7945205413210426
Energy: 1.6216163694873247
Energy: 1.7358205473444517
Energy: 1.6216163694873247
Energy: 1.4290652430710258
Energy: 1.4287323261374973
Energy: 1.9726620999620326
Energy: 1.428732326139541
Energy: 1.7944557512952346
Energy: 1.6216730366168692
Energy: 1.7908445463583975
Energy: 1.6216730366148255
Energy: 1.4606050288682169
Energy: 1.428612843986958
Energy: 1.7673138816190246
Energy: 1.428612843986958
Energy: 1.4607120459140177
Energy: 1.428711714847154
Energy: 1.6313286322578642
Energy: 1.4287117148491977
Energy: 1.7945205413210426
Energy: 1.6216163694852805
Energy: 1.7301242280886981
Energy: 1.6216163694852805
Energy: 1.4290652430689819
Energy: 1.4287323261374973
Energy: 2.1463577136300493
Energy: 1.4287323261374973
Energy: 1.7944557512931907
Energy: 1.6216730366148255
Energy: 1.7908445463604414
Energy: 1.6216730366168692
Energy: 1.4606050288682169
Energy: 1.428612843986958
Energy: 1.7673138816169807
Energy: 1.428612843986958

minimum gb energy = 1.428612843986958 eV
minimum distance =  2.29632181071597 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.6367986138754547
Energy: 1.798129265078405
Energy: 2.19544957022861
Energy: 1.7981292650806744
Energy: 1.9738047171354378
Energy: 1.7238813964195234
Energy: 1.6146094400098532
Energy: 1.72388139642028
Energy: 1.6350464549315946
Energy: 1.5544240781461947
Energy: 1.5774615715292772
Energy: 1.5544240781484642
Energy: 1.8882888592615021
Energy: 1.8867006568503564
Energy: 1.63127647256822
Energy: 1.8867006568503564
Energy: 1.9464060430614558
Energy: 1.6730776819150863
Energy: 1.6156580220958197
Energy: 1.67307768191433
Energy: 1.6178385755651077
Energy: 1.6197073143012506
Energy: 1.9129184336624698
Energy: 1.6197073142974685
Energy: 2.174261430385688
Energy: 1.6398616204268635
Energy: 1.6473590724406157
Energy: 1.6398616204253507
Energy: 1.6465792444451763
Energy: 1.8957599730550116
Energy: 1.818041431965879
Energy: 1.8957599730587937
Energy: 1.6388202673860857
Energy: 1.8928380814216872
Energy: 1.617582884651989
Energy: 1.8928380814254695
Energy: 1.672924739706735
Energy: 1.7094674705060595
Energy: 1.6775177037645772
Energy: 1.709467470506816
Energy: 1.6310257955837768
Energy: 1.7600217604654982
Energy: 2.109550135044564
Energy: 1.7600217604647417
Energy: 1.8997920160370383
Energy: 1.7532077720630386
Energy: 1.6518037083278678
Energy: 1.7532077720645516
Energy: 1.620564865655151
Energy: 1.6821499782482485
Energy: 1.967712663962673
Energy: 1.6821499782474922
Energy: 1.8861601481749275
Energy: 1.7978739131907342
Energy: 1.581102478220416
Energy: 1.797873913192247
Energy: 1.620087201492785
Energy: 1.7537595420940695
Energy: 1.8592333711294957
Energy: 1.7537595420948262
Energy: 1.6249053073921929
Energy: 1.8913078555132883
Energy: 1.8477192074538065
Energy: 1.8913078555102623
Energy: 1.7557615378711349
Energy: 1.8603025974823328
Energy: 1.6213840917196263
Energy: 1.8603025974823328
Energy: 1.6317233331131527
Energy: 1.6402286071578438
Energy: 1.9460170996661668
Energy: 1.6402286071593566
Energy: 1.9981561711375269
Energy: 1.74519395649694
Energy: 1.6216757924279142
Energy: 1.7451939564976966
Energy: 1.6154478697834973
Energy: 1.698715602779419
Energy: 1.864494449022098
Energy: 1.698715602777906
Energy: 1.825819206069293
Energy: 1.884268208462126
Energy: 1.8383207575799545
Energy: 1.8842682084659084
Energy: 1.7656214173350917
Energy: 1.580400985005767
Energy: 1.6426230675157707
Energy: 1.5804009850065233
Energy: 1.6170959950838417
Energy: 1.7120735825670153
Energy: 1.722451760898064
Energy: 1.7120735825677718
Energy: 2.0762445020371803
Energy: 1.7591968649178542
Energy: 1.626562730712244
Energy: 1.7591968649163414
Energy: 1.6170908052903383
Energy: 1.763245095216432
Energy: 2.0902380059807277
Energy: 1.7632450952141625
Energy: 1.7154956272322393
Energy: 1.5541453473433147
Energy: 1.6160945443767727
Energy: 1.5541453473440714
Energy: 1.7460605129837985
Energy: 1.8567744476009218
Energy: 1.8768546105502515
Energy: 1.8567744476016783
Energy: 1.6374688753232174
Energy: 1.8274721708442765
Energy: 1.8879943047508478
Energy: 1.8274721708457893
Energy: 1.7302756214789432
Energy: 1.5529729598147162
Energy: 1.6146081381195982
Energy: 1.5529729598147162
Energy: 1.6165991624215827
Energy: 1.7870347671871902
Energy: 2.0889219536652384
Energy: 1.7870347671856774
Energy: 1.9874093963532484
Energy: 1.7204023113451528
Energy: 1.625023738057752
Energy: 1.7204023113436397
Energy: 1.619983854161634
Energy: 1.7069754027262658
Energy: 1.6999316287677215
Energy: 1.7069754027239965
Energy: 1.6723936115821545
Energy: 1.7771491325545503
Energy: 1.6428197254309114
Energy: 1.7771491325537938
Energy: 1.8443728474103676
Energy: 1.9250505804088875
Energy: 1.8282420525465488
Energy: 1.9250505804088875
Energy: 1.6113136095883838
Energy: 1.9660201620280724
Energy: 2.099957612740214
Energy: 1.9660201620280724

minimum gb energy = 1.5529729598147162 eV
minimum distance =  2.23936044165525 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.6672657251525673
Energy: 1.667311088523188
Energy: 2.0515934722115
Energy: 1.667311088523188
Energy: 1.7137553319623218
Energy: 1.703891318374679
Energy: 1.553407292658355
Energy: 1.703891318374679
Energy: 1.6783864181671604
Energy: 1.665664779383011
Energy: 1.5908581522741867
Energy: 1.6656647793818107
Energy: 1.6868381991259063
Energy: 1.7995152022588254
Energy: 1.598628713720818
Energy: 1.7995152022600256
Energy: 1.6952704006983268
Energy: 1.7215876098047551
Energy: 1.5895323097164926
Energy: 1.7215876098035552
Energy: 1.629523709527134
Energy: 1.6003058339773788
Energy: 2.099203430384537
Energy: 1.6003058339761786
Energy: 2.173650701810335
Energy: 1.8136265034814407
Energy: 1.6534667649295083
Energy: 1.8136265034802406
Energy: 1.6588773017523584
Energy: 1.5530769400192803
Energy: 1.9314315660702455
Energy: 1.5530769400180802
Energy: 2.0965378375117205
Energy: 1.5534973891936077
Energy: 1.5535503173657852
Energy: 1.5534973891948076
Energy: 1.553922708876524
Energy: 1.7753646277119166
Energy: 1.5526326589514772
Energy: 1.7753646277119166
Energy: 1.6122395923427704
Energy: 1.5534301042564842
Energy: 1.9737803006627868
Energy: 1.5534301042564842
Energy: 1.7854712726276045
Energy: 1.7991946463137285
Energy: 1.6441706949333728
Energy: 1.7991946463113553
Energy: 1.6277074178663304
Energy: 1.6759701028841385
Energy: 1.9101225201069318
Energy: 1.6759701028841385
Energy: 2.0767802137704967
Energy: 1.781592414751838
Energy: 1.6829468508219598
Energy: 1.781592414751838
Energy: 1.6337086510860215
Energy: 1.8137557704500766
Energy: 1.996959139213832
Energy: 1.8137557704500766
Energy: 1.9988772559802668
Energy: 1.5532774451289693
Energy: 1.6562711223949877
Energy: 1.5532774451289693
Energy: 1.6656308962583235
Energy: 1.6677965949397668
Energy: 1.553982294030215
Energy: 1.667796594940967
Energy: 1.666333239062479
Energy: 1.7987279207963085
Energy: 1.651997973935568
Energy: 1.7987279207963085
Energy: 1.7943221026820788
Energy: 1.5528858717849123
Energy: 1.6548239089315098
Energy: 1.5528858717861125
Energy: 1.6365167412185955
Energy: 1.7501017676468515
Energy: 2.050343174611669
Energy: 1.7501017676468515
Energy: 2.0873470859378314
Energy: 1.6003799434483832
Energy: 1.6836672588995902
Energy: 1.6003799434495836
Energy: 1.598591370678214
Energy: 1.7144127018159185
Energy: 1.8609282825764208
Energy: 1.7144127018147182

minimum gb energy = 1.5526326589514772 eV
minimum distance =  2.25083122221696 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.5805069299753776
Energy: 1.581604541212385
Energy: 2.158855085398142
Energy: 1.5816045412149309
Energy: 2.032485977956258
Energy: 1.7298444409951745
Energy: 1.6105046998933048
Energy: 1.7298444409951745
Energy: 1.6327181303177545
Energy: 1.822995832046196
Energy: 1.590026242892217
Energy: 1.822995832044499
Energy: 1.5885262573830854
Energy: 1.687461282991616
Energy: 1.610495370917183
Energy: 1.6874612829958595
Energy: 1.6290430612979032
Energy: 1.6852028248413233
Energy: 1.5758258062594255
Energy: 1.6852028248404747
Energy: 1.6284308942861336
Energy: 1.5805329810152897
Energy: 2.048147679435468
Energy: 1.5805329810161386
Energy: 1.7536762912625423
Energy: 1.8313481068423552
Energy: 1.5908780453273796
Energy: 1.8313481068423552
Energy: 1.628916389389471
Energy: 1.5810604130398336
Energy: 2.1286661286681796
Energy: 1.5810604130398336
Energy: 1.7780865307450473
Energy: 1.6719752735883266
Energy: 1.636846492791816
Energy: 1.6719752735866293
Energy: 1.6085208208686452
Energy: 1.6882446850797503
Energy: 1.7499688539519727
Energy: 1.688244685075507
Energy: 1.5865131974285125
Energy: 1.8228888276444362
Energy: 1.5752282010285348
Energy: 1.8228888276461335
Energy: 1.5817821779836052
Energy: 1.6845990734197822
Energy: 1.5754331507434625
Energy: 1.6845990734197822
Energy: 1.5810540328904532
Energy: 1.5838213618528039
Energy: 1.5765101133205162
Energy: 1.5838213618528039
Energy: 1.5902613629975975
Energy: 1.5747223082625093
Energy: 1.638092930990933
Energy: 1.574722308267601
Energy: 1.6093807453290927
Energy: 1.8831354701458891
Energy: 1.8063609796328592
Energy: 1.8831354701450407
Energy: 2.2053438138502686
Energy: 1.572627437397298
Energy: 1.6532517678423932
Energy: 1.5726274373981466
Energy: 1.608569833808712
Energy: 1.6855046195635388
Energy: 1.7818080664198053
Energy: 1.6855046195660845
Energy: 1.5986884099874967
Energy: 1.863519795559221
Energy: 1.6379904881568712
Energy: 1.8635197955583724
Energy: 1.6084402358023093
Energy: 1.8232494054082025
Energy: 1.6398744369033906
Energy: 1.8232494054082025
Energy: 1.6095656764134563
Energy: 1.6867850714790285
Energy: 1.573854921140333
Energy: 1.6867850714807258
Energy: 1.5866694398942165
Energy: 1.820589470509534
Energy: 1.637967548599659
Energy: 1.8205894705078365
Energy: 1.6281009197657963
Energy: 1.8192205856540609
Energy: 1.740996732682901
Energy: 1.8192205856532122
Energy: 2.0447122845130177
Energy: 1.6745793289443711
Energy: 1.6304301078240462
Energy: 1.6745793289452202
Energy: 1.5868486303690104
Energy: 1.5811192366299565
Energy: 2.070491954678588
Energy: 1.5811192366274107
Energy: 1.6099743030100278
Energy: 1.6875709010909543
Energy: 1.5947988641449824
Energy: 1.6875709010943492
Energy: 1.5863000338873707
Energy: 1.819553193742553
Energy: 1.5750026204149743
Energy: 1.8195531937450993
Energy: 1.6297634504140035
Energy: 1.6891572296256752
Energy: 1.5960555148240243
Energy: 1.68915722962907
Energy: 1.6644664618303284
Energy: 1.6846015249379613
Energy: 1.610673863079178
Energy: 1.6846015249388098
Energy: 1.641947046591698
Energy: 1.5818701240225523
Energy: 1.7840537196116857
Energy: 1.5818701240225523
Energy: 1.5851188598151977
Energy: 1.6336543527607257
Energy: 1.6087554703821445
Energy: 1.6336543527573308
Energy: 1.6419505301954949
Energy: 1.581402058013233
Energy: 2.0166302343083515
Energy: 1.581402058013233

minimum gb energy = 1.572627437397298 eV
minimum distance =  2.23170628804304 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4820434474511475
Energy: 1.4745941715527044
Energy: 1.9442787712544771
Energy: 1.4745941715527044
Energy: 1.424454819394633
Energy: 1.48318870548589
Energy: 1.4798540378368956
Energy: 1.4831887054853314
Energy: 1.5990095532003468
Energy: 1.5505804490489759
Energy: 1.732881686265808
Energy: 1.5505804490489759
Energy: 1.4800336981255673
Energy: 1.424818557521669
Energy: 1.4801170149481984
Energy: 1.4248185575219647
Energy: 1.4824341239525236
Energy: 1.5228933929116288
Energy: 1.733138915912132
Energy: 1.5228933929116288
Energy: 1.475240899975748
Energy: 1.551523154952221
Energy: 1.4752697834745752
Energy: 1.5515231549519255
Energy: 1.4752946593753102
Energy: 1.5230335337438903
Energy: 1.4824240058051072
Energy: 1.5230335337441863
Energy: 1.4801722901710137
Energy: 1.4246845458268385
Energy: 1.4797262348153266
Energy: 1.4246845458268385
Energy: 1.732850922546542
Energy: 1.5505708999118148
Energy: 1.7329000851453378
Energy: 1.5505708999118148

minimum gb energy = 1.424454819394633 eV
minimum distance =  2.29297430672376 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.4894779316097744
Energy: 1.4945151804111998
Energy: 1.8695158182302551
Energy: 1.4945151804111998
Energy: 1.7290746992598585
Energy: 1.58128838807926
Energy: 1.507068463185882
Energy: 1.58128838807926
Energy: 1.4617441891753937
Energy: 1.4881998160095504
Energy: 1.7641051203639944
Energy: 1.4881998160103518
Energy: 1.5098562062269998
Energy: 1.570405861419179
Energy: 1.4670770434475147
Energy: 1.5704058614183773
Energy: 1.4869100012406606
Energy: 1.5765634600333789
Energy: 1.7119634126852665
Energy: 1.5765634600325773
Energy: 1.5861290912776018
Energy: 1.4963718148051603
Energy: 1.4608171733236293
Energy: 1.4963718148043588
Energy: 1.4632214295669432
Energy: 1.5739868655736509
Energy: 1.4511623143072572
Energy: 1.5739868655736509
Energy: 1.45721756897175
Energy: 1.4970204168165617
Energy: 1.4696253956107475
Energy: 1.4970204168157601
Energy: 1.4625064967834989
Energy: 1.5748724830791823
Energy: 1.494279740565362
Energy: 1.5748724830799838
Energy: 1.462354196234888
Energy: 1.5747558342662025
Energy: 1.5099288514687657
Energy: 1.5747558342654009
Energy: 1.5165591208826434
Energy: 1.5714291028770668
Energy: 1.4643652802046483
Energy: 1.5714291028778684
Energy: 1.5118233627671849
Energy: 1.4799989569237637
Energy: 1.4944585117475404
Energy: 1.4799989569221603
Energy: 1.6594280022478611
Energy: 1.4961017338544464
Energy: 1.4933558371128903
Energy: 1.4961017338544464
Energy: 1.4846952891479204
Energy: 1.4956344155913623
Energy: 1.4797818996555934
Energy: 1.4956344155929655
Energy: 1.8304139819340268
Energy: 1.5689760427266566
Energy: 1.4644509176324965
Energy: 1.5689760427266566
Energy: 1.4649762220007525
Energy: 1.4882108288895917
Energy: 1.8425830546424797
Energy: 1.4882108288895917
Energy: 1.7107545959342878
Energy: 1.48123148930596
Energy: 1.4880378311720075
Energy: 1.4812314893067615
Energy: 1.4699399766273076
Energy: 1.4953164738772888
Energy: 1.99048442935935
Energy: 1.495316473876487
Energy: 1.5467299878391543
Energy: 1.5768625180306415
Energy: 1.4575945679970972
Energy: 1.5768625180322449
Energy: 1.482290114244434
Energy: 1.5911815645869805
Energy: 1.473544657451937
Energy: 1.5911815645877823
Energy: 1.478557105422166
Energy: 1.5683249134993371
Energy: 1.462585582664712
Energy: 1.5683249134993371
Energy: 1.515730243315767
Energy: 1.5747586308412664
Energy: 1.4633975147221763
Energy: 1.5747586308412664
Energy: 1.5011695654664305
Energy: 1.4962760708661407
Energy: 1.5147443220935521
Energy: 1.4962760708661407
Energy: 1.4938894108918457
Energy: 1.5057853795859724
Energy: 1.508333884208701
Energy: 1.5057853795859724
Energy: 1.4935956249046183
Energy: 1.4885253816005761
Energy: 1.4689406996399044
Energy: 1.4885253816005761
Energy: 1.5218258901642485
Energy: 1.4947752776614494
Energy: 1.4894298098696173
Energy: 1.494775277662251
Energy: 1.467032212187044
Energy: 1.4537216938643203
Energy: 1.5571737588058554
Energy: 1.4537216938635185
Energy: 1.8674677150607308
Energy: 1.5815942325380004
Energy: 1.4646928076424917
Energy: 1.5815942325355954
Energy: 1.4765613581858357
Energy: 1.469289242617524
Energy: 1.7693075507731257
Energy: 1.4692892426167221
Energy: 1.9988936034830325
Energy: 1.6396328715055577
Energy: 1.4698133224682393
Energy: 1.6396328715047563
Energy: 1.4590003769927586
Energy: 1.4735496858190487
Energy: 1.7413321479378592
Energy: 1.4735496858190487
Energy: 1.7127085699373912
Energy: 1.5743848119241428
Energy: 1.4772231138784422
Energy: 1.5743848119249444
Energy: 1.467919663516892
Energy: 1.8054107454568242
Energy: 1.5103869040775948
Energy: 1.8054107454568242

minimum gb energy = 1.4511623143072572 eV
minimum distance =  2.21786842107505 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.5978566295623808
Energy: 1.5989254756456723
Energy: 1.965891595464709
Energy: 1.5989254756467808
Energy: 1.5683367680887388
Energy: 1.5504699666964181
Energy: 1.4322221352601794
Energy: 1.55046996669531
Energy: 1.4161870508550458
Energy: 1.4413991471277006
Energy: 1.691543572094419
Energy: 1.441399147128809
Energy: 1.4557064885966646
Energy: 1.547504159373614
Energy: 1.4317412138156196
Energy: 1.5475041593747227
Energy: 1.4272703476173616
Energy: 1.4414262152105366
Energy: 1.76544457520066
Energy: 1.441426215209428
Energy: 1.4035019005858265
Energy: 1.4451094942357146
Energy: 1.4320098989390846
Energy: 1.4451094942334974
Energy: 1.4159342845971628
Energy: 1.593138475436505
Energy: 1.434751926386894
Energy: 1.593138475436505
Energy: 1.4129289432182321
Energy: 1.4449446743526835
Energy: 1.429423371907155
Energy: 1.4449446743504664
Energy: 1.440881375933535
Energy: 1.4516631147018861
Energy: 1.4587547016796303
Energy: 1.451663114700778
Energy: 1.4411518472995863
Energy: 1.4526772873586549
Energy: 1.484377585099954
Energy: 1.452677287356438
Energy: 1.4134316261469098
Energy: 1.4450776480897471
Energy: 1.458948549642153
Energy: 1.4450776480886385
Energy: 1.4166861069101861
Energy: 1.5768479944047067
Energy: 1.6403649175277213
Energy: 1.5768479944047067
Energy: 1.4047343132604062
Energy: 1.4446594492413207
Energy: 1.4338010306574476
Energy: 1.4446594492413207
Energy: 1.4289855113494112
Energy: 1.448599227946461
Energy: 1.4418534718390852
Energy: 1.4485992279475695
Energy: 1.5873677112663567
Energy: 1.5436792557534993
Energy: 1.4341237415476282
Energy: 1.5436792557523908
Energy: 1.4159586237183395
Energy: 1.4418827406312966
Energy: 1.8107263072347428
Energy: 1.4418827406312966
Energy: 2.025221477925901
Energy: 1.4717653661492043
Energy: 1.428981898573469
Energy: 1.4717653661492043
Energy: 1.5978566295612724
Energy: 1.5989254756445639
Energy: 1.9658860822336397
Energy: 1.5989254756456723
Energy: 1.5683367680887388
Energy: 1.5504699666974764
Energy: 1.4322221352601794
Energy: 1.5504699666964181
Energy: 1.4161870508561543
Energy: 1.4413991471277006
Energy: 1.691543572094419
Energy: 1.4413991471277006
Energy: 1.455706488597773
Energy: 1.547504159373614
Energy: 1.4317412138156196
Energy: 1.5475041593747227
Energy: 1.4272703476173616
Energy: 1.441426215209428
Energy: 1.7654445751995516
Energy: 1.441426215209428
Energy: 1.403501900584718
Energy: 1.4451094942357146
Energy: 1.432009898937976
Energy: 1.4451094942346059
Energy: 1.4159342845982708
Energy: 1.593138475436505
Energy: 1.4347519263880022
Energy: 1.5931384754353963

minimum gb energy = 1.403501900584718 eV
minimum distance =  2.23947080031691 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4340081969456582
Energy: 1.434850371325688
Energy: 1.8327519559455825
Energy: 1.434850371325688
Energy: 1.6315667925060222
Energy: 1.4231127945911275
Energy: 1.4073713195729067
Energy: 1.423112794590442
Energy: 1.4040551932793734
Energy: 1.4195379116011202
Energy: 1.7569459740642466
Energy: 1.4195379116004354
Energy: 1.5694264813552468
Energy: 1.6964478932081448
Energy: 1.4016952578302904
Energy: 1.6964478932081448
Energy: 1.4052115446367552
Energy: 1.4348382557607897
Energy: 1.8095560564066657
Energy: 1.4348382557621597
Energy: 1.4440290357256624
Energy: 1.9106514322024932
Energy: 1.4169853443445455
Energy: 1.910651432203178
Energy: 1.4343833879419994
Energy: 1.50469110438766
Energy: 1.419254541250904
Energy: 1.50469110438766
Energy: 1.4300708105783646
Energy: 1.715441547232559
Energy: 1.4014317108029115
Energy: 1.7154415472332438
Energy: 1.43495031716599
Energy: 1.715576518871603
Energy: 1.4811899672185445
Energy: 1.715576518871603
Energy: 1.4200408457753495
Energy: 1.714643877802442
Energy: 1.4165142055552307
Energy: 1.7146438778031272
Energy: 1.3959871411377052
Energy: 1.6919077443050168
Energy: 1.4112899596447728
Energy: 1.6919077443057016
Energy: 1.3947251966485088
Energy: 1.4997764337223167
Energy: 1.3939390155204192
Energy: 1.4997764337230022
Energy: 1.4381482968915116
Energy: 1.7072973602688526
Energy: 1.4057081363316617
Energy: 1.7072973602695376
Energy: 1.4351209456444443
Energy: 1.5237926158923216
Energy: 1.4330276525245342
Energy: 1.5237926158923216
Energy: 1.4270016823005052
Energy: 1.6995547694868156
Energy: 1.4466070627108096
Energy: 1.6995547694868156
Energy: 1.410879164571823
Energy: 1.420631541337485
Energy: 1.777335002344278
Energy: 1.420631541337485
Energy: 1.4702887593275051
Energy: 1.7003737990321062
Energy: 1.4056795585114399
Energy: 1.7003737990286807
Energy: 1.3955811455457827
Energy: 1.5657052803059939
Energy: 1.7037942737156093
Energy: 1.565705280306679
Energy: 1.6303951295246017
Energy: 1.6959876980842452
Energy: 1.406892238037554
Energy: 1.6959876980842452
Energy: 1.4108348621700988
Energy: 1.4197365132732573
Energy: 1.5739303386487662
Energy: 1.4197365132746276
Energy: 1.5067571352063058
Energy: 1.41308020667836
Energy: 1.4316186187477744
Energy: 1.4130802066790453
Energy: 1.432145881164879
Energy: 1.5668589967463937
Energy: 1.5095251291748468
Energy: 1.5668589967457087
Energy: 1.6344877222029501
Energy: 1.7078266125996715
Energy: 1.4132017954977711
Energy: 1.7078266125989863
Energy: 1.4074115604737245
Energy: 1.4133504417905742
Energy: 1.6317808673834797
Energy: 1.413350441789889
Energy: 1.4994951434805603
Energy: 1.5652287949292119
Energy: 1.3980538384174017
Energy: 1.5652287949285266
Energy: 1.4088251186422784
Energy: 1.5256895866910383
Energy: 1.4722943230840022
Energy: 1.525689586690353
Energy: 1.6218490301814585
Energy: 1.4892296527081013
Energy: 1.4136420974035613
Energy: 1.4892296527081013
Energy: 1.4460994579330393
Energy: 1.6991895695525392
Energy: 1.4269104108286852
Energy: 1.6991895695525392
Energy: 1.4331419096810252
Energy: 1.5230348770714537
Energy: 1.4291202875011577
Energy: 1.523034877072139
Energy: 1.4056206299959673
Energy: 1.7053414321257003
Energy: 1.4935951251381332
Energy: 1.7053414321257003
Energy: 1.3936473917195462
Energy: 1.5228212001817716
Energy: 1.3949532974892718
Energy: 1.5228212001810864
Energy: 1.4091644556992036
Energy: 1.6951207717800292
Energy: 1.4050712015772497
Energy: 1.6951207717807144
Energy: 1.413770847568223
Energy: 1.495940756064923
Energy: 1.6322152587441545
Energy: 1.495940756064923
Energy: 1.4848732104262774
Energy: 1.7202875226682601
Energy: 1.4200444468899491
Energy: 1.7202875226675751
Energy: 1.3990896270510516
Energy: 1.4357713301880959
Energy: 1.470291902062502
Energy: 1.4357713301880959
Energy: 1.4190676174158618
Energy: 1.507484714724531
Energy: 1.4324424215624387
Energy: 1.5074847147265864
Energy: 1.413151585944516
Energy: 1.9083917179103342
Energy: 1.4295703346130115
Energy: 1.9083917179096495
Energy: 1.8065112625847417
Energy: 1.5262874745451394
Energy: 1.4109330695852247
Energy: 1.5262874745444543

minimum gb energy = 1.3936473917195462 eV
minimum distance =  2.23583774088999 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.2778413474518349
Energy: 1.2779925090838247
Energy: 2.0783647460989365
Energy: 1.2779925090838247
Energy: 1.2783234143668432
Energy: 1.3159054064891738
Energy: 1.3008933768774238
Energy: 1.3159054064891738
Energy: 1.2971822221217457
Energy: 1.376374719389036
Energy: 2.2069603982629187
Energy: 1.376374719389036
Energy: 1.3217424547371883
Energy: 1.3162968678537355
Energy: 1.3004981956286286
Energy: 1.3162968678519427
Energy: 1.2967091097294356
Energy: 1.410147468574413
Energy: 2.124278101147037
Energy: 1.410147468574413
Energy: 1.296811228766741
Energy: 1.2787719495793701
Energy: 1.277476009359237
Energy: 1.2787719495793701
Energy: 1.2974143387758519
Energy: 1.5096296424664515
Energy: 1.277941408688744
Energy: 1.5096296424664515
Energy: 1.3187056232162735
Energy: 1.5090175638979562
Energy: 1.3010852132982467
Energy: 1.5090175638997487
Energy: 1.2968052081152102
Energy: 1.4098433238223025
Energy: 1.2836265385935073
Energy: 1.4098433238223025
Energy: 1.3153886782160626
Energy: 1.2789532001510604
Energy: 1.296666535413883
Energy: 1.278953200149268
Energy: 1.277630791210322
Energy: 1.3167800758415078
Energy: 1.296659672869515
Energy: 1.3167800758415078
Energy: 1.2777503343663155
Energy: 1.5105575729314311
Energy: 1.30068422803655
Energy: 1.5105575729332235
Energy: 1.2966766230377889
Energy: 1.2800927229185814
Energy: 1.3155979958881008
Energy: 1.2800927229167889
Energy: 1.2968691026465315
Energy: 1.4089754003525474
Energy: 1.29685078680427
Energy: 1.4089754003525474
Energy: 1.2835731093076077
Energy: 1.2800617502608425
Energy: 1.296676488229014
Energy: 1.2800617502608425

minimum gb energy = 1.277476009359237 eV
minimum distance =  2.25569726688659 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.2847506347116955
Energy: 1.251534260169487
Energy: 1.7278596792850534
Energy: 1.2515342601664816
Energy: 1.491629608732916
Energy: 1.6457248075057687
Energy: 1.2444472726623186
Energy: 1.6457248075057687
Energy: 1.252895944564009
Energy: 1.4372446653328412
Energy: 1.9304941239922913
Energy: 1.4372446652134483
Energy: 1.2456487456398055
Energy: 1.4667752345704503
Energy: 1.2423652478553282
Energy: 1.4667752345689475
Energy: 1.259538101418993
Energy: 1.5286489595403374
Energy: 1.3331414817249363
Energy: 1.5286489595433428
Energy: 1.2435970222401809
Energy: 1.284555115427408
Energy: 1.258687203208199
Energy: 1.284555115427408
Energy: 1.2596280285559194
Energy: 1.4508813124681548
Energy: 1.61749319535529
Energy: 1.4508813124674032
Energy: 1.2482994592293468
Energy: 1.4634258186700901
Energy: 1.2588252241841948
Energy: 1.4634258186723441
Energy: 1.2609148691432859
Energy: 1.3489885893912255
Energy: 1.474551045298296
Energy: 1.3489885893919769
Energy: 1.480157372388971
Energy: 1.5490882194167839
Energy: 1.2424265685897964
Energy: 1.5490882194160325
Energy: 1.2604103850666994
Energy: 1.3708654130669262
Energy: 1.243744802695433
Energy: 1.3708654130714342
Energy: 1.6122080666447398
Energy: 1.5487864058278515
Energy: 1.2504726950023317
Energy: 1.5487864058278515
Energy: 1.2938745998828307
Energy: 1.2663878640696555
Energy: 1.2583917720309499
Energy: 1.2663878640704072
Energy: 1.6246763569008504
Energy: 1.3707882976035213
Energy: 1.2504736079232635
Energy: 1.370788297600516
Energy: 1.2604128484466453
Energy: 1.2492113383828616
Energy: 1.2529601634998544
Energy: 1.249211338385867
Energy: 1.2412294229776797
Energy: 1.3707889779617721
Energy: 1.2394600467382604
Energy: 1.3707889779580154
Energy: 1.2568450180577957
Energy: 1.3364863282828998
Energy: 1.2389024424456243
Energy: 1.336486328281397
Energy: 1.2800743517922968
Energy: 1.3455820293861602
Energy: 1.2542134699357137
Energy: 1.3455820293876626
Energy: 1.257186847512405
Energy: 1.2678825736135595
Energy: 1.2543742488009362
Energy: 1.2678825736158135
Energy: 1.256793985566733
Energy: 1.2680117078911861
Energy: 1.2543525970657556
Energy: 1.2680117078949427
Energy: 1.2804988653368903
Energy: 1.345474766837018
Energy: 1.2544243027844286
Energy: 1.3454747668355151
Energy: 1.2567051069360196
Energy: 1.336490020877124
Energy: 1.2389447781363554
Energy: 1.3364900208756214
Energy: 1.2410761434190358
Energy: 1.3705978146446858
Energy: 1.2393027886847694
Energy: 1.3705978146461884
Energy: 1.2603754463235213
Energy: 1.24921477567949
Energy: 1.255317427398658
Energy: 1.2492147756787388
Energy: 1.6250460364125983
Energy: 1.5994700740110765
Energy: 1.2513563184096816
Energy: 1.5994700740110765
Energy: 1.294467820498211
Energy: 1.2664887086684768
Energy: 1.2561357173343686
Energy: 1.2664887086677257
Energy: 1.6118501456478722
Energy: 1.5489267510387192
Energy: 1.2509661426181289
Energy: 1.5489267510387192
Energy: 1.2597599117873552
Energy: 1.3710034956657586
Energy: 1.24282575144965
Energy: 1.3710034956650072
Energy: 1.4800907472278002
Energy: 1.5485756220791105
Energy: 1.2421008238058675
Energy: 1.5485756220783589
Energy: 1.2599260793213956
Energy: 1.348804925684118
Energy: 1.6936295133388852
Energy: 1.3488049256848695
Energy: 1.2477996951232566
Energy: 1.4638022684559904
Energy: 1.258791306564463
Energy: 1.4638022684567418
Energy: 1.2598467387303285
Energy: 1.4508330165305043
Energy: 1.801966804517158
Energy: 1.4508330165305043
Energy: 1.243988624786832
Energy: 1.2823004063818342
Energy: 1.2587749469735463
Energy: 1.2823004063863421
Energy: 1.2598823725722685
Energy: 1.5285913643185094
Energy: 1.3195900957615845
Energy: 1.5285913643147526
Energy: 1.2459727857593434
Energy: 1.4687045243994261
Energy: 1.2423674938238753
Energy: 1.4687045244114474

minimum gb energy = 1.2389024424456243 eV
minimum distance =  2.23452233636045 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.358858987488009
Energy: 1.3585572959877843
Energy: 1.1879466498899323
Energy: 1.3585572959877843
Energy: 1.4487269881719356
Energy: 1.5930295399256873
Energy: 1.1597324443552703
Energy: 1.5930295399243946
Energy: 1.1804693568450526
Energy: 1.629623664365504
Energy: 1.5698222523274645
Energy: 1.629623664365504
Energy: 1.3014127313521913
Energy: 1.3450380594831846
Energy: 1.1604063037797556
Energy: 1.345038059481892
Energy: 1.1592374795638634
Energy: 1.1847555003952264
Energy: 1.3012193599674138
Energy: 1.184755500396519
Energy: 1.1974725979521061
Energy: 1.7531842843603047
Energy: 1.3044834075888314
Energy: 1.7531842843603047
Energy: 1.175187923756148
Energy: 1.933872198096057
Energy: 1.635053027146227
Energy: 1.933872198096057
Energy: 1.1428458596399738
Energy: 1.1858019009236838
Energy: 1.1900198892598624
Energy: 1.1858019009236838
Energy: 1.160581973606083
Energy: 1.5924437529246036
Energy: 1.46667982306677
Energy: 1.5924437529246036
Energy: 1.5691750147674852
Energy: 1.6304608242534757
Energy: 1.3033806954123002
Energy: 1.6304608242534757
Energy: 1.1584406121233932
Energy: 1.8350406840279005
Energy: 1.3012249079224218
Energy: 1.8350406840279005
Energy: 1.5446027812005443
Energy: 1.1852884917234052
Energy: 1.16033586127011
Energy: 1.185288491724698
Energy: 1.3007334328950388
Energy: 1.5925295885788804
Energy: 1.365164377148466
Energy: 1.5925295885788804
Energy: 1.637146212203284
Energy: 1.9351351728324668
Energy: 1.1426806902348354
Energy: 1.9351351728324668
Energy: 1.3577307881058662
Energy: 1.3928950439039594
Energy: 1.142750770169272
Energy: 1.392895043905252
Energy: 1.358178629692965
Energy: 1.593120194791238
Energy: 1.1596638516889366
Energy: 1.593120194791238
Energy: 1.3006281540273898
Energy: 1.3301542260980004
Energy: 1.1607181569245226
Energy: 1.330154226099293
Energy: 1.3007667576412094
Energy: 1.836045805192208
Energy: 1.1583890886823622
Energy: 1.836045805192208
Energy: 1.158417001181175
Energy: 1.1866656837365614
Energy: 1.1585298648689153
Energy: 1.186665683735269
Energy: 1.1587074308515346
Energy: 1.5929808515442445
Energy: 1.300780725426755
Energy: 1.5929808515429518

minimum gb energy = 1.1426806902348354 eV
minimum distance =  2.22956770784721 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.2346444298816401
Energy: 1.7571111544080613
Energy: 1.0541528094737505
Energy: 1.7571111544070521
Energy: 1.4833010817825518
Energy: 1.2984251219928697
Energy: 1.0474653673268572
Energy: 1.2984251219938792
Energy: 1.1704363433652065
Energy: 1.1708671945424511
Energy: 1.3571668871902707
Energy: 1.1708671945434608
Energy: 1.2518573247664344
Energy: 1.4402817557960355
Energy: 1.0556213206113216
Energy: 1.4402817557950258
Energy: 1.0642215066860783
Energy: 1.2987424316502474
Energy: 1.1372227742414753
Energy: 1.2987424316512568
Energy: 1.1451859631084294
Energy: 1.2942749726210476
Energy: 1.0655812370020583
Energy: 1.2942749726190286
Energy: 1.0504247454953966
Energy: 1.0440467673748584
Energy: 1.2526385183077318
Energy: 1.044046767373849
Energy: 1.036833430627919
Energy: 1.448539969285903
Energy: 1.1727327079543928
Energy: 1.448539969286912
Energy: 1.0503737315362185
Energy: 1.2987622385490232
Energy: 1.628738330754723
Energy: 1.2987622385470043
Energy: 1.0237688678170511
Energy: 1.2807626121141233
Energy: 1.1053383257153138
Energy: 1.2807626121161417
Energy: 1.0503100864885413
Energy: 1.0439524814506231
Energy: 1.5330608222168203
Energy: 1.0439524814516323
Energy: 1.3585097825396943
Energy: 1.5998936105569566
Energy: 1.1729012913845471
Energy: 1.599893610557966
Energy: 1.0579104110993123
Energy: 1.210103490667638
Energy: 1.4067196499505457
Energy: 1.2101034906666286
Energy: 1.3475318417270192
Energy: 1.3919549119731827
Energy: 1.0659517950265602
Energy: 1.391954911974192
Energy: 1.0647239788828746
Energy: 1.041256263679284
Energy: 1.1440248104330282
Energy: 1.0412562636773113
Energy: 1.4426687739068123
Energy: 1.7074718571876046
Energy: 1.0491630622111312
Energy: 1.707471857188614
Energy: 1.1756179586810385
Energy: 1.4482786430342534
Energy: 1.0253709177531662
Energy: 1.4482786430332442
Energy: 1.4279801510333248
Energy: 1.1886220047109237
Energy: 1.047704160135313
Energy: 1.188622004709914
Energy: 1.233745917300659
Energy: 1.0618060977953492
Energy: 1.0240926973041289
Energy: 1.0618060977923212
Energy: 1.6748682518437517
Energy: 1.706628917376127
Energy: 1.0489735108840748
Energy: 1.7066289173771363
Energy: 1.1755847621706799
Energy: 1.7059250011022034
Energy: 1.0375836177254072
Energy: 1.7059250011042222
Energy: 1.1703487875547598
Energy: 1.440616139342571
Energy: 1.0594746331295921
Energy: 1.4406161393435803
Energy: 1.0645515578764189
Energy: 1.4252797759359987
Energy: 1.3493723194382536
Energy: 1.4252797759359987
Energy: 1.1438330074716243
Energy: 1.7698896138728129
Energy: 1.0646104313154612
Energy: 1.7698896138718034
Energy: 1.0478691114515968
Energy: 1.7068815358109362
Energy: 1.442689221832836
Energy: 1.7068815358119453
Energy: 1.031056302107714
Energy: 1.3304670776092107
Energy: 1.170177264586104
Energy: 1.3304670776092107

minimum gb energy = 1.0237688678170511 eV
minimum distance =  2.24079891943216 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.3499110498536706
Energy: 1.3508382810319075
Energy: 0.9558793151844219
Energy: 1.3508382810335626
Energy: 1.4173719319615061
Energy: 1.1453823756764303
Energy: 0.9446098763294415
Energy: 1.145382375675603
Energy: 0.972399384200809
Energy: 0.9421806715064106
Energy: 1.7185829116356697
Energy: 0.942180671505583
Energy: 1.2140201957460157
Energy: 1.339567691783613
Energy: 0.944326323379756
Energy: 1.339567691783613
Energy: 0.9379922624442694
Energy: 1.3708084222224863
Energy: 1.0175646872928072
Energy: 1.3708084222241415
Energy: 1.0103814144383876
Energy: 1.144510132527506
Energy: 0.9444686632408341
Energy: 1.144510132527506
Energy: 0.9430748812696081
Energy: 1.1451159089222855
Energy: 1.010887765455622
Energy: 1.1451159089222855
Energy: 0.9268818736144401
Energy: 1.1644887493372207
Energy: 0.9393847298843121
Energy: 1.1644887493388758
Energy: 0.9480033069268153
Energy: 1.5232339068717717
Energy: 1.315675531969727
Energy: 1.5232339068709444
Energy: 0.9292596265689412
Energy: 1.136083656064042
Energy: 0.9737109153228701
Energy: 1.136083656065697
Energy: 0.9432793662196409
Energy: 1.1477147656221687
Energy: 1.5413028576342334
Energy: 1.147714765681675
Energy: 0.9309098856135267
Energy: 1.3512671079727916
Energy: 1.3509354947864225
Energy: 1.3512671079727916
Energy: 0.9480765945546872
Energy: 1.523831107308332
Energy: 1.6624515994253453
Energy: 1.5238311073075044
Energy: 1.2037322327381184
Energy: 1.356081240947409
Energy: 0.9735193473064921
Energy: 1.356081240947409
Energy: 0.9433370280969909
Energy: 1.1478516528490872
Energy: 1.3451625268761205
Energy: 1.1478516528457774
Energy: 1.195349065261193
Energy: 1.3873150944041495
Energy: 0.9394516879457138
Energy: 1.3873150944033221
Energy: 0.947866520501265
Energy: 1.5236520014350015
Energy: 1.2481002987967353
Energy: 1.523652001434174
Energy: 1.1887802571629509
Energy: 1.3563598219227684
Energy: 0.9444928509201855
Energy: 1.3563598219227684
Energy: 0.943498851842915
Energy: 1.1627718644086718
Energy: 0.9263413967313257
Energy: 1.162771864402879
Energy: 1.1793221733675325
Energy: 1.3560497899519346
Energy: 0.9480318834019539
Energy: 1.3560497899502797
Energy: 0.9773785347514286
Energy: 1.52431767348719
Energy: 0.9302818098455876
Energy: 1.52431767348719
Energy: 1.5407536176297039
Energy: 1.685861338388085
Energy: 0.9446448096928062
Energy: 1.6858613383872576
Energy: 1.355063244407998
Energy: 1.3526974257850743
Energy: 0.9308808357707713
Energy: 1.3526974257859017
Energy: 1.3502595306180485
Energy: 1.5236963428462766
Energy: 0.9482217543602953
Energy: 1.523696342845449
Energy: 0.9773248140409515
Energy: 1.3360285062676918
Energy: 0.9354037337153787
Energy: 1.3360285062676918
Energy: 1.3325042304255146
Energy: 1.6785146162556834
Energy: 0.944465445140382
Energy: 1.6785146162556834
Energy: 0.943244594276707
Energy: 1.5275633622552318
Energy: 1.195027564481171
Energy: 1.5275633622552318
Energy: 0.9384673076096665
Energy: 1.5242267394506077
Energy: 0.9481174916671069
Energy: 1.524226739451435
Energy: 0.9483488861361021
Energy: 1.3365100779099337
Energy: 1.1889830019890213
Energy: 1.3365100779091061
Energy: 0.9259535956919173
Energy: 1.5672033399157046
Energy: 0.9494093308859428
Energy: 1.5672033399157046
Energy: 0.9437443425987567
Energy: 1.3572404867826091
Energy: 1.1792180499261609
Energy: 1.3572404867826091
Energy: 0.9308188111588456
Energy: 1.5251776853110846
Energy: 0.9829845807660459
Energy: 1.525177685311912

minimum gb energy = 0.9259535956919173 eV
minimum distance =  2.23308953257829 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.2271345043595714
Energy: 1.5083396489680116
Energy: 1.6981833147168441
Energy: 1.5083396489673107
Energy: 1.5610418122590426
Energy: 1.363595339727094
Energy: 0.8840402960128227
Energy: 1.3635953397277951
Energy: 0.9136840857913775
Energy: 1.2061297196932166
Energy: 1.6166851700405787
Energy: 1.2061297196932166
Energy: 1.3748868021872171
Energy: 1.368905319939565
Energy: 0.8838757794591349
Energy: 1.3689053199388637
Energy: 0.8798053850668919
Energy: 1.5154044187758238
Energy: 0.8615075733863965
Energy: 1.5154044187758238
Energy: 1.0936503870602265
Energy: 1.3649017541032016
Energy: 0.8840175299564309
Energy: 1.3649017541025006
Energy: 0.8830481786819819
Energy: 1.2163255138529687
Energy: 0.9226181635501516
Energy: 1.2163255138529687
Energy: 0.922745286630886
Energy: 1.2186558613772362
Energy: 0.8839720360361565
Energy: 1.2186558613786387
Energy: 0.8864101602692089
Energy: 1.5253572433656981
Energy: 1.0929174931659555
Energy: 1.5253572433663993
Energy: 0.8535021222641886
Energy: 1.3661755679296141
Energy: 0.880824927503138
Energy: 1.3661755679296141
Energy: 0.8832141611745539
Energy: 1.36314794797095
Energy: 1.5277073334596416
Energy: 1.36314794797095
Energy: 0.8564393129486209
Energy: 1.2068098618198595
Energy: 0.9146220661076562
Energy: 1.2068098618170555
Energy: 0.8862786498694777
Energy: 1.519561775008154
Energy: 1.532754642547284
Energy: 1.5195617750088553
Energy: 0.8569588900225322
Energy: 1.5089203008450063
Energy: 1.227560715173403
Energy: 1.5089203008443055
Energy: 0.8831520963092755
Energy: 1.3633501716494645
Energy: 1.5559600635572362
Energy: 1.3633501716487633
Energy: 1.085876547855933
Energy: 1.2056367858340513
Energy: 0.9145385157484417
Energy: 1.20563678583335
Energy: 0.8863329335449913
Energy: 1.5193954388303614
Energy: 1.47603275792287
Energy: 1.5193954388296602
Energy: 1.0817395759456796
Energy: 1.514289462597113
Energy: 0.8807644878042784
Energy: 1.5142894625978143
Energy: 0.8832959654956006
Energy: 1.3651377225098107
Energy: 1.203636835173729
Energy: 1.3651377225098107
Energy: 1.077467604419494
Energy: 1.0500433682875074
Energy: 0.883923064915128
Energy: 1.0500433682868062
Energy: 0.8865393590716265
Energy: 1.3924323900818567
Energy: 1.1226305368963878
Energy: 1.3924323900825575
Energy: 1.0799230550234067
Energy: 1.3784666237190624
Energy: 0.8902759745676887
Energy: 1.3784666237183614
Energy: 0.8832880203904563
Energy: 1.0459250474176611
Energy: 0.8537904308234772
Energy: 1.0459250474064448
Energy: 1.4103657834916041
Energy: 1.0474708111862951
Energy: 0.8840757956004522
Energy: 1.0474708111827902
Energy: 0.9169207033132967
Energy: 1.3923795506032568
Energy: 0.8577456170107319
Energy: 1.3923795506046588
Energy: 1.394677776022579
Energy: 1.5226434206863895
Energy: 0.8902692259529428
Energy: 1.5226434206849873
Energy: 1.2301143544903557
Energy: 1.5061269478435453
Energy: 0.8572460641196844
Energy: 1.5061269478435453
Energy: 1.5510130417258088
Energy: 1.3635680939255486
Energy: 0.8840688456386251
Energy: 1.3635680939262493
Energy: 0.9168751162872496
Energy: 1.5472499715793906
Energy: 0.8631403439364976
Energy: 1.5472499715800916
Energy: 1.203589616718397
Energy: 1.5230039793093422
Energy: 0.8902437520201918
Energy: 1.523003979310043
Energy: 0.8832213820660773
Energy: 1.5087230304867925
Energy: 1.081529931631049
Energy: 1.5087230304874935
Energy: 1.1928034897586408
Energy: 1.3668481611390886
Energy: 0.884079103380263
Energy: 1.3668481611383871
Energy: 0.8863489245570132
Energy: 1.539352191490744
Energy: 1.077097219835144
Energy: 1.539352191490744
Energy: 0.8603928841729352
Energy: 1.3936936659285142
Energy: 0.8901637768480044
Energy: 1.3936936659285142
Energy: 0.8769505549506919
Energy: 1.508124509071361
Energy: 1.079379100358832
Energy: 1.508124509072062
Energy: 0.8532201549643412
Energy: 1.0454571107719206
Energy: 0.8872099741568107
Energy: 1.0454571107705184
Energy: 0.8866000159930079
Energy: 1.5393421544254704
Energy: 1.4098943175692298
Energy: 1.5393421544254704

minimum gb energy = 0.8532201549643412 eV
minimum distance =  2.26799722595372 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.1563707531136098
Energy: 1.4114191769144
Energy: 1.0683878365593442
Energy: 1.4114191769144
Energy: 1.6641348269708023
Energy: 1.269034436926294
Energy: 0.8112172084131163
Energy: 1.269034436926902
Energy: 1.1092047454483562
Energy: 1.1104797593501874
Energy: 1.068375126884632
Energy: 1.1104797593507953
Energy: 1.3834721378579171
Energy: 0.9798990579895662
Energy: 0.8108614060917874
Energy: 0.9798990579919983
Energy: 0.8502555057629507
Energy: 1.0777940788345723
Energy: 0.7708014543430993
Energy: 1.0777940788339644
Energy: 1.2300416358849784
Energy: 0.9837766450707884
Energy: 0.8108883979408663
Energy: 0.9837766450707884
Energy: 0.8069450148081789
Energy: 1.1317332762032086
Energy: 0.8909546977440906
Energy: 1.1317332762038166
Energy: 1.0723766741340195
Energy: 1.2688125641712633
Energy: 0.810940470879547
Energy: 1.2688125641706554
Energy: 0.8101240125738426
Energy: 1.0922278961877632
Energy: 1.0378899353517839
Energy: 1.092227896187155
Energy: 0.928290056356346
Energy: 1.13171846236261
Energy: 0.8078414177987376
Energy: 1.1317184623620018
Energy: 0.8105961426079545
Energy: 0.9836910664971575
Energy: 1.1843572927587294
Energy: 0.9836910664965495
Energy: 0.7715679147606997
Energy: 0.9805954939796192
Energy: 0.8511564801978118
Energy: 0.9805954939796192
Energy: 0.8104948172724568
Energy: 1.092609579331433
Energy: 1.3979293182599344
Energy: 1.092609579331433
Energy: 0.7743679096234067
Energy: 1.1100634075446447
Energy: 1.1102722561798744
Energy: 1.1100634075452527
Energy: 0.8105886896071471
Energy: 1.2686892940434198
Energy: 1.5207465929685953
Energy: 1.2686892940440275
Energy: 0.7734740156300769
Energy: 1.4118437081139754
Energy: 1.1572104362613143
Energy: 1.4118437081139754
Energy: 0.8102525941354216
Energy: 1.0927182795283668
Energy: 1.5214009478093589
Energy: 1.0927182795289747
Energy: 0.9776577867213155
Energy: 1.1100873863430576
Energy: 1.1102602648550788
Energy: 1.1100873863430576
Energy: 0.8106186045538143
Energy: 1.2685329367242046
Energy: 1.3831437766024441
Energy: 1.2685329367242046
Energy: 0.9683023741231822
Energy: 1.4365153367784795
Energy: 0.850977341211281
Energy: 1.4365153367784795
Energy: 0.8102025554781233
Energy: 1.0938835246907608
Energy: 1.22973183179259
Energy: 1.0938835246907608
Energy: 0.9664205067923609
Energy: 1.1359261467726147
Energy: 0.8078781662466522
Energy: 1.1359261467726147
Energy: 0.8104227244690255
Energy: 1.2688818518364127
Energy: 1.0729895107109497
Energy: 1.2688818518364127
Energy: 0.97224526536049
Energy: 1.0055356939529936
Energy: 0.810923144839336
Energy: 1.0055356932650372
Energy: 0.8103524915225273
Energy: 0.9798821586538259
Energy: 0.9258310579839342
Energy: 0.9798821586532179
Energy: 1.2624591593859251
Energy: 1.110321158678213
Energy: 0.8118662568120487
Energy: 1.1103211586769968
Energy: 0.8532882543761818
Energy: 0.9802600524167079
Energy: 0.7712404465080912
Energy: 0.9802600524167079
Energy: 1.257282197468847
Energy: 1.432569977930897
Energy: 0.8102558093536103
Energy: 1.432569977930897
Energy: 1.1125236569164574
Energy: 1.1105027456177596
Energy: 0.7745498140522344
Energy: 1.1105027456183674
Energy: 1.5212269210663247
Energy: 1.2683948177308768
Energy: 0.8119152791330035
Energy: 1.2683948177308768
Energy: 1.1594093070129818
Energy: 1.4129025868422989
Energy: 0.7738923376174871
Energy: 1.4129025868422989
Energy: 1.4064252718455348
Energy: 1.4324908253742024
Energy: 0.8110868763654431
Energy: 1.4324908253742024
Energy: 1.112777869940995
Energy: 1.110223862708472
Energy: 0.7843010176106143
Energy: 1.110223862708472
Energy: 1.3836321348888962
Energy: 1.2684772616900404
Energy: 0.810064681475653
Energy: 1.2684772616900404
Energy: 0.8536267700044287
Energy: 1.4371940432507828
Energy: 0.9686616538864843
Energy: 1.4371940432513908
Energy: 1.0781720607067056
Energy: 1.425680028475912
Energy: 0.8111442327298621
Energy: 1.4256800284765196
Energy: 0.8105267944459339
Energy: 1.109875112450762
Energy: 0.9658507871345775
Energy: 1.1098751124519504
Energy: 1.0644848334322587
Energy: 1.110088040348517
Energy: 0.8118170781370136
Energy: 1.1100880403539888
Energy: 0.8104919106651466
Energy: 1.3992754966652543
Energy: 0.9723079100270585
Energy: 1.3992754966652543
Energy: 0.7801170434668394
Energy: 1.319458787419088
Energy: 0.8071148508284444
Energy: 1.319458787419088
Energy: 0.8101773532045844
Energy: 1.1103922182897779
Energy: 1.2620979663349556
Energy: 1.110392218290386
Energy: 0.7709115995031343
Energy: 0.9798175616757808
Energy: 0.8502494637936603
Energy: 0.9798175616763889
Energy: 0.8106454081391177
Energy: 1.3995575662918633
Energy: 1.25689434021329
Energy: 1.3995575662924713

minimum gb energy = 0.7708014543430993 eV
minimum distance =  2.25679124785282 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020522328627323148
Energy: 0.02143620400483692
Energy: 1.223643678459374
Energy: 0.02143620400571979
Energy: 1.2229120118994399
Energy: 0.4553861112913556
Energy: 0.45468698641096494
Energy: 0.4553861112908882
Energy: 0.020522328627323148
Energy: 0.021436204005252386
Energy: 1.2235828946965286
Energy: 0.02143620400571979
Energy: 1.2229120118994399
Energy: 0.4553861112908882
Energy: 0.4546869863538381
Energy: 0.4553861112904727
Energy: 0.020522328627323148
Energy: 0.02143620400483692
Energy: 1.2236361464413967
Energy: 0.02143620400571979
Energy: 1.2229120118994399
Energy: 0.4553861112908882
Energy: 0.45468698639953953
Energy: 0.4553861112900053

minimum gb energy = 0.020522328627323148 eV
minimum distance =  2.48492824418827 Angstroms
sigma value = 1