Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614939033985138
cohesive_energy=3.540272685207228
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.015488830681734934
Energy: 0.2719682454595287
Energy: 0.2719682454580831
Energy: 0.015488830683180493
Energy: 0.2719682454595287
Energy: 0.2719682454595287
Energy: 0.015488830683180493
Energy: 0.2719682454595287
Energy: 0.2719682454580831
Energy: 0.015488830681734934
Energy: 0.26939851675697035
Energy: 0.018400635277522878
Energy: 0.2714387342243132
Energy: 0.26939851675552484
Energy: 0.018400635277522878
Energy: 0.27143873422286763
Energy: 0.26939851675552484
Energy: 0.018400635277522878
Energy: 0.27143873422286763
Energy: 0.26939851675552484
Energy: 0.3772297116136893
Energy: 0.4080224020536647
Energy: 0.4020708486820212
Energy: 0.5247596207056688
Energy: 0.20069590665522186
Energy: 0.1689805217267538
Energy: 0.5992755011449334
Energy: 0.016313407121799284
Energy: 0.16898052172819933
Energy: 0.5992755011434878
Energy: 0.26939851675697035
Energy: 0.2714387342243132
Energy: 0.018400635277522878
Energy: 0.26939851675697035
Energy: 0.27143873422575876
Energy: 0.018400635277522878
Energy: 0.269398516758416
Energy: 0.27143873422286763
Energy: 0.018400635277522878
Energy: 0.26939851675697035
Energy: 0.015488830683180493
Energy: 0.2719682454580831
Energy: 0.2719682454580831
Energy: 0.015488830683180493
Energy: 0.2719682454580831
Energy: 0.2719682454580831
Energy: 0.015488830683180493
Energy: 0.2719682454580831
Energy: 0.2719682454580831
Energy: 0.015488830683180493
Energy: 0.26939851675552484
Energy: 0.018400635277522878
Energy: 0.27143873422575876
Energy: 0.26939851675552484
Energy: 0.018400635278968437
Energy: 0.27143873422286763
Energy: 0.26939851675552484
Energy: 0.018400635277522878
Energy: 0.27143873422575876
Energy: 0.26939851675697035
Energy: 1.2172100342667451
Energy: 0.4080224020536647
Energy: 0.49038305701861584
Energy: 1.1086114399572837
Energy: 0.016313407120353726
Energy: 0.1689805217267538
Energy: 0.5992755011420422
Energy: 0.016313407120353726
Energy: 0.1689805217267538
Energy: 0.5992755011434878

minimum gb energy = 0.015488830681734934 eV
minimum distance =  2.37512392061342 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.7282835493751422
Energy: 0.7285836408065123
Energy: 0.6251785026718159
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Energy: 0.6309623793074142
Energy: 0.6376931838027983
Energy: 0.7149217456138637
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Energy: 0.5565286317826612
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Energy: 0.630449358789712
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Energy: 0.6376723112660602
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Energy: 0.6298029795667509
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Energy: 0.7285836408089588
Energy: 0.6309824963271518
Energy: 0.7282835493708932
Energy: 0.7285836408121777
Energy: 0.6298029795561282
Energy: 0.7282835493684467
Energy: 0.7285836408093451
Energy: 0.6309824963264437
Energy: 0.6309623793078003
Energy: 0.6376931838010601
Energy: 0.7149217456145718
Energy: 0.6309623793099249
Energy: 0.6376931837964248
Energy: 0.71492174561528
Energy: 0.630962379306706
Energy: 0.6376931837996438
Energy: 0.7149217456188209
Energy: 0.6309623793088305
Energy: 0.6903289611558991
Energy: 0.7290154704952091
Energy: 0.7212436174962067
Energy: 0.6602276860779862
Energy: 0.7290154704966255
Energy: 0.721243690461253
Energy: 0.6903289611506199
Energy: 0.7290154704926983
Energy: 0.7212436828446848
Energy: 0.6602276860719989
Energy: 0.7277198849179725
Energy: 0.8151766504387199
Energy: 0.5565971818493625
Energy: 0.7277198849172644
Energy: 0.8151766504401363
Energy: 0.5565971818465298
Energy: 0.7277198849222215
Energy: 0.8151766504376898
Energy: 0.5565971818454997
Energy: 0.7277198849144316

minimum gb energy = 0.5405432978768892 eV
minimum distance =  2.42088191487574 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6259890017407753
Energy: 0.6260912548962512
Energy: 0.7927047355541277
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minimum gb energy = 0.6259890017373198 eV
minimum distance =  2.24286045519205 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7162191832871665
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Energy: 0.7187195822163555
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Energy: 0.6993811769328215
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Energy: 0.6993811769339909
Energy: 0.7414833741137185
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Energy: 0.7941117445639909
Energy: 0.7111869144731812
Energy: 0.7629014501245276
Energy: 0.7381893383310166
Energy: 0.7168745072048954
Energy: 0.7231683578145317
Energy: 0.7381893383259487
Energy: 0.7168745072002173
Energy: 0.7231683578174377
Energy: 0.7381893383261614
Energy: 0.7168745072013869
Energy: 0.7231683578141418
Energy: 0.7381893383317962
Energy: 0.7047275630265063
Energy: 0.7095184474660691
Energy: 0.7766055782444756
Energy: 0.7047275630268962
Energy: 0.7095025023945395
Energy: 0.7766055782438732
Energy: 0.7047275630241673
Energy: 0.7095184474681955
Energy: 0.7766055782417468
Energy: 0.7047275630241673
Energy: 0.7735245147191503
Energy: 0.7089450615976852
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Energy: 0.7089661386859505
Energy: 0.7117279875491824
Energy: 0.7735245147179808
Energy: 0.7089450616010166
Energy: 0.7117279875524785
Energy: 0.7735245147191503
Energy: 0.7507677641806256
Energy: 0.7415681272748713
Energy: 0.7141166550729677
Energy: 0.7507677641771171
Energy: 0.7415681272772104
Energy: 0.7141166550725779
Energy: 0.7507677641772942
Energy: 0.7415681272719299
Energy: 0.714116655074917
Energy: 0.750767764178074
Energy: 0.7094155809686297
Energy: 0.776763209328273
Energy: 0.7416297350104559
Energy: 0.7094155809662908
Energy: 0.7767307384742115
Energy: 0.7416297350141418
Energy: 0.70941558096824
Energy: 0.776763209331002
Energy: 0.7416297350120152
Energy: 0.709415580966468
Energy: 0.8187100176450604
Energy: 0.734768640009263
Energy: 0.7309635494569825
Energy: 0.8187100176409848
Energy: 0.7349482767750766
Energy: 0.7309635494610935
Energy: 0.8187100176458401
Energy: 0.7347686400129488
Energy: 0.730963549457585
Energy: 0.81871001764623
Energy: 0.7389659533575157
Energy: 0.7664533819851703
Energy: 0.7499131321646607
Energy: 0.7389659533548223
Energy: 0.766452830425043
Energy: 0.7499131321627116
Energy: 0.7389659533548223
Energy: 0.7664533819861626
Energy: 0.7499131321603725
Energy: 0.7389659533528731

minimum gb energy = 0.6992575303924577 eV
minimum distance =  2.37506280596291 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.6932637231733828
Energy: 0.7586144953036936
Energy: 0.7585675181377267
Energy: 0.6932637231707062
Energy: 0.7586144953023551
Energy: 0.7585675181350501
Energy: 0.6932637231733828
Energy: 0.7586144953036936
Energy: 0.7585675181370576
Energy: 0.6932637231713753
Energy: 0.7603078808119486
Energy: 0.6991872136073565
Energy: 0.7801750096605964
Energy: 0.7603078808126179
Energy: 0.6991872136107024
Energy: 0.7801750096579197
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Energy: 0.6991872136066873
Energy: 0.780175009659258
Energy: 0.7603078808086028
Energy: 0.7591139395876838
Energy: 0.8318054860887867
Energy: 0.6835267394385188
Energy: 0.7591139395890222
Energy: 0.8318054860907942
Energy: 0.6835268966704032
Energy: 0.7591139395890222
Energy: 0.8318054860907942
Energy: 0.6835269531930138
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Energy: 0.8388629244664224
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Energy: 0.6987657048270934
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Energy: 0.6987657048270934
Energy: 0.8388629244631071
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Energy: 0.8618981374263804
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Energy: 0.860445387757237
Energy: 0.6982020141269891
Energy: 0.6982397981767604
Energy: 0.8604453877579061
Energy: 0.7586943550927835
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Energy: 0.8375141656330134
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Energy: 0.758375479199293
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Energy: 0.7586943550927835
Energy: 0.6988040184749753
Energy: 0.8182633264175052
Energy: 0.8619744262380031
Energy: 0.6988040184743062
Energy: 0.8182633264195126
Energy: 0.8619744262346574
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Energy: 0.8182633264175052
Energy: 0.8619744262406799
Energy: 0.6988040184743062
Energy: 0.7698351901286349
Energy: 0.6836933189859828
Energy: 0.8209059881139043
Energy: 0.7698351901313115
Energy: 0.6837103530263209
Energy: 0.8209059881118967
Energy: 0.7698351901272965
Energy: 0.6837078389361851
Energy: 0.8209059881139043
Energy: 0.7698351901313115
Energy: 0.8388810015866837
Energy: 0.6987832045774129
Energy: 0.7605076140161009
Energy: 0.838881001588691
Energy: 0.6987832045767438
Energy: 0.7605076140187776
Energy: 0.8388810015866837
Energy: 0.6987832045780822
Energy: 0.7605076140167701
Energy: 0.8388810015880219
Energy: 0.759154611737892
Energy: 0.68351861310218
Energy: 0.8319300872478239
Energy: 0.759154611737892
Energy: 0.6835186058309223
Energy: 0.8319300872538464
Energy: 0.7591546117385612
Energy: 0.6835186045145853
Energy: 0.8319300872551847
Energy: 0.7591546117385612
Energy: 0.760456604184635
Energy: 0.7803094761738208
Energy: 0.6990914032781252
Energy: 0.7604566041826275
Energy: 0.780309476175159
Energy: 0.6990914032767869
Energy: 0.7604566041853041
Energy: 0.7803094761738208
Energy: 0.6990914032781252
Energy: 0.7604566041819583
Energy: 0.6932637231733828
Energy: 0.7586144953070394
Energy: 0.7585675181363885
Energy: 0.6932637231686988
Energy: 0.7586144953063702
Energy: 0.7585675181337118
Energy: 0.6932637231733828
Energy: 0.7586144953077085
Energy: 0.7585675181363885
Energy: 0.6932637231693679

minimum gb energy = 0.6835186045145853 eV
minimum distance =  2.37535716644547 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.8764061177137573
Energy: 0.7048006955592339
Energy: 0.7055131478110942
Energy: 0.7840885462443616
Energy: 0.70480069556183
Energy: 0.7055131478084982
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Energy: 0.6192337789600008
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Energy: 0.6578784705601639
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Energy: 0.6360656633396673
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Energy: 0.6302846310393456
Energy: 0.6297490838677547
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Energy: 0.6651477924207997
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Energy: 0.7107353875369786
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Energy: 0.7484626552885665
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Energy: 0.6858207451106156
Energy: 0.6613393557646791
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Energy: 0.7245079005199532
Energy: 0.7067855473732376
Energy: 0.7035472449012862
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Energy: 0.7035472449012862
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Energy: 0.7067855473732376
Energy: 0.7035472449038824
Energy: 0.7719943746823799
Energy: 0.7067855473784304
Energy: 0.6226331352242657
Energy: 0.667893969239425
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Energy: 0.7248340955180246
Energy: 0.705317349373932
Energy: 0.6226331352216693
Energy: 0.6678939692368288
Energy: 0.6866761678166157
Energy: 0.622633135226862
Energy: 0.6155766060339394
Energy: 0.6678954673678114
Energy: 0.6635800660739593
Energy: 0.6155766060313431
Energy: 0.6678142503736214
Energy: 0.6635105437620922
Energy: 0.6155766060183616
Energy: 0.6678954673626188
Energy: 0.6635800660791519
Energy: 0.6155766060261504
Energy: 0.6192782526057758
Energy: 0.6595374512587066
Energy: 0.6306561110305091
Energy: 0.6192782526057758
Energy: 0.659766371504845
Energy: 0.6306561110357018
Energy: 0.6192782526031798
Energy: 0.6595374512509177
Energy: 0.6306561110382981
Energy: 0.6192782526057758
Energy: 0.7453086284083158
Energy: 0.66461568400152
Energy: 0.6368691298231581
Energy: 0.745308628410912
Energy: 0.6644541230366835
Energy: 0.6368691298283506
Energy: 0.745308628410912
Energy: 0.6646156839911349
Energy: 0.6368691298309469
Energy: 0.7453086284135084
Energy: 0.7370151394666852
Energy: 0.6891062598043683
Energy: 0.6562467866156626
Energy: 0.7370151394666852
Energy: 0.6891062598017721
Energy: 0.6562467866156626
Energy: 0.7370151394588962
Energy: 0.6891062598043683
Energy: 0.6562467866208551
Energy: 0.7370151394563

minimum gb energy = 0.6130502960572481 eV
minimum distance =  2.33245989298178 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.3886167800877089
Energy: 0.3130054674224102
Energy: 0.3132953081899879
Energy: 0.25999033597255705
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Energy: 0.25999033597286525
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Energy: 0.3817961760726201
Energy: 0.2655730301928021
Energy: 0.3214844253530624
Energy: 0.38179617607662664
Energy: 0.33897671886700087
Energy: 0.34778875737651854
Energy: 0.3128610141717404
Energy: 0.3389767188617896
Energy: 0.3477887573842234
Energy: 0.3128610141763633
Energy: 0.33897671886515174
Energy: 0.34778875738052506
Energy: 0.3128610141769797
Energy: 0.33897671886607633
Energy: 0.25962072604770603
Energy: 0.2774091683865539
Energy: 0.32325475975672824
Energy: 0.25962072604863057
Energy: 0.2774091683856293
Energy: 0.32325475976073476
Energy: 0.25962072605078795
Energy: 0.2774091683840883
Energy: 0.3232547597616593
Energy: 0.2596207260483224
Energy: 0.33270551891520667
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Energy: 0.36900475098700564
Energy: 0.308184356107202
Energy: 0.3327055189201377
Energy: 0.36900475098608115
Energy: 0.3081843561050446
Energy: 0.33270551891798034

minimum gb energy = 0.25962072604770603 eV
minimum distance =  2.4221734166972 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.5932329918172572
Energy: 0.6280370169710744
Energy: 0.6282802601384727
Energy: 0.5526455554374498
Energy: 0.6280370169744581
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Energy: 0.628347964488053
Energy: 0.5520831272496032
Energy: 0.6299916212308287
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Energy: 0.6535598201313096
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Energy: 0.6175871268353961
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Energy: 0.6149101465693951
Energy: 0.5659204722380036

minimum gb energy = 0.5470771641506513 eV
minimum distance =  2.28702044098593 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.7152544922722177
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Energy: 0.732316976238165
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Energy: 0.7873647663598876
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Energy: 0.8343487790317472
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Energy: 0.7152503724282457
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Energy: 0.8118591977454053
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Energy: 0.8446850448867582
Energy: 0.8118591977454053
Energy: 0.73767576801786
Energy: 0.8446850448867582
Energy: 0.8118591977465248

minimum gb energy = 0.7152503724282457 eV
minimum distance =  2.3404852691858 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 0.8970264533132231
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Energy: 0.8803865057856143
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minimum gb energy = 0.8492516424120773 eV
minimum distance =  2.29243685554224 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.8433940052932392
Energy: 0.8429449502442484
Energy: 0.896386043751513
Energy: 0.8433940052927333
Energy: 0.8429449502452601
Energy: 0.8963860437510072
Energy: 0.8433940052924803
Energy: 0.8429449502445013
Energy: 0.843703709420205
Energy: 0.904639652362073
Energy: 0.9034338247557191
Energy: 0.8437037094191933
Energy: 0.9046396523615672
Energy: 0.9034338247539486
Energy: 0.8437037094196992
Energy: 0.904639652362073
Energy: 0.9034338247579954
Energy: 0.8437037094199521
Energy: 0.8970027776558221
Energy: 0.8717220595169791
Energy: 0.8506206992821745
Energy: 0.897002777656328
Energy: 0.871722059517255
Energy: 0.8506206992834391
Energy: 0.8970027776560751
Energy: 0.8717220595164733
Energy: 0.8506206992821745
Energy: 0.8970027776565809
Energy: 0.9072957814942711
Energy: 0.9103715770928729
Energy: 0.8429911053107045
Energy: 0.907295781495007
Energy: 0.9103715770943903
Energy: 0.8429911053107045
Energy: 0.9072957814942711
Energy: 0.9103715770913551
Energy: 0.8429911053107045
Energy: 0.907295781494777
Energy: 0.8706108885920686
Energy: 0.8732787038492198
Energy: 0.8428105802146065
Energy: 0.8706108885917928
Energy: 0.8732787038494496
Energy: 0.8428105802148594
Energy: 0.8706108885920686
Energy: 0.8732787038489899
Energy: 0.8428105802151123
Energy: 0.8706108885915628
Energy: 0.906077969860768
Energy: 0.8897012524705363
Energy: 0.8473701540700939
Energy: 0.9060779698587447
Energy: 0.8897012524695247
Energy: 0.8473701540691052
Energy: 0.906077969860262
Energy: 0.8897012524712951
Energy: 0.8473701540700939
Energy: 0.9060779698620327
Energy: 0.8652052921143019
Energy: 0.8745923899299612
Energy: 0.8746236101909505
Energy: 0.865205292113543
Energy: 0.8745923899294554
Energy: 0.8746236101909505
Energy: 0.8652052921145548
Energy: 0.8745923899294554
Energy: 0.8746236101914563
Energy: 0.8652052921132901
Energy: 0.9064797685586276
Energy: 0.8473714695781726
Energy: 0.889193269235707
Energy: 0.9064797685566043
Energy: 0.8473714695769079
Energy: 0.8891932692329247
Energy: 0.9064797685560985
Energy: 0.8473714695784255
Energy: 0.8891932692354539
Energy: 0.9064797685571101
Energy: 0.8707883264318221
Energy: 0.8428149247441721
Energy: 0.873316981371788
Energy: 0.8707883264313162
Energy: 0.8428149247451837
Energy: 0.873316981368753
Energy: 0.8707883264310863
Energy: 0.8428149247444249
Energy: 0.8733169813705005
Energy: 0.8707883264308103
Energy: 0.9072666116643366
Energy: 0.8430010861743462
Energy: 0.9092859974874574
Energy: 0.907266611663325
Energy: 0.8430010861743462
Energy: 0.9092859974866987
Energy: 0.9072666116640606
Energy: 0.8430010861743462
Energy: 0.9092859974864458
Energy: 0.9072666116640606
Energy: 0.8970400930242547
Energy: 0.8506369914073181
Energy: 0.8717197146496086
Energy: 0.8970400930250134
Energy: 0.8506369914073181
Energy: 0.8717197146496086
Energy: 0.8970400930257723
Energy: 0.850636991407571
Energy: 0.8717197146496086
Energy: 0.897040093026278
Energy: 0.8436785586028213
Energy: 0.9036862597496331
Energy: 0.9046094311651316
Energy: 0.8436785586028213
Energy: 0.9036862597476097
Energy: 0.9046094311648787
Energy: 0.8436785586023153
Energy: 0.9036862597496331
Energy: 0.9046094311648787
Energy: 0.8436785586025684
Energy: 0.8429460607629947
Energy: 0.8432544264299698
Energy: 0.8962088217773511
Energy: 0.8429460607632476
Energy: 0.843254426429211
Energy: 0.896208821777857
Energy: 0.8429460607624889
Energy: 0.8432544264281993
Energy: 0.8962088217776041
Energy: 0.8429460607627418
Energy: 0.934610202379328
Energy: 0.8917526873145192
Energy: 0.8919197195381833
Energy: 0.9346102023800867
Energy: 0.891752687314772
Energy: 0.8919197195374245
Energy: 0.9346102023800867
Energy: 0.8917526873145192
Energy: 0.8919197195381833
Energy: 0.9346102023808455
Energy: 0.8429449502445013
Energy: 0.8963860437517659
Energy: 0.8433940052950096
Energy: 0.8429449502457659
Energy: 0.8963860437510072
Energy: 0.8433940052952626
Energy: 0.8429449502447542
Energy: 0.8963860437512601
Energy: 0.8433940052939979
Energy: 0.8429449502460188
Energy: 0.843703709420205
Energy: 0.9046396523615672
Energy: 0.903433824755972
Energy: 0.8437037094209637
Energy: 0.9046396523623258
Energy: 0.9034338247579954
Energy: 0.8437037094184345
Energy: 0.9046396523615672
Energy: 0.903433824755972
Energy: 0.8437037094194462
Energy: 0.8970027776565809
Energy: 0.8717220595174849
Energy: 0.8506206992834391
Energy: 0.897002777656328
Energy: 0.8717220595167492
Energy: 0.8506206992824275
Energy: 0.897002777656328
Energy: 0.8717220595177609
Energy: 0.8506206992831862
Energy: 0.897002777656328
Energy: 0.907295781495007
Energy: 0.9103715770921139
Energy: 0.8429911053107045
Energy: 0.9072957814945012
Energy: 0.9103715770913551
Energy: 0.8429911053104516
Energy: 0.907295781495007
Energy: 0.9103715770928729
Energy: 0.8429911053104516
Energy: 0.9072957814945012

minimum gb energy = 0.8428105802146065 eV
minimum distance =  2.32038832882028 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8828537003760808
Energy: 0.886679618128388
Energy: 0.8865500004786444
Energy: 0.8828537003747094
Energy: 0.8866796181288453
Energy: 0.8865500004804728
Energy: 0.8828537003769951
Energy: 0.8866796181293024
Energy: 0.8865500004781873
Energy: 0.8828537003747094
Energy: 0.8817897773185341
Energy: 0.883780853803955
Energy: 0.8832858135187629
Energy: 0.8817897773157914
Energy: 0.8837808538034979
Energy: 0.8832858135146486
Energy: 0.8817897773194483
Energy: 0.8837808538034979
Energy: 0.8832858135169342
Energy: 0.8817897773148771
Energy: 0.8832316848840771
Energy: 0.8839712447420208
Energy: 1.0077591020714616
Energy: 0.8832316848827059
Energy: 0.883971244739278
Energy: 1.0077591020705474
Energy: 0.8832316848817914
Energy: 0.8839712447424778
Energy: 1.0077591020719188
Energy: 0.8832316848795059
Energy: 1.007734688848633
Energy: 0.8839277915071104
Energy: 0.8833522905286868
Energy: 1.0077346888477183
Energy: 0.8839277915048248
Energy: 0.883352290529601
Energy: 1.007734688849547
Energy: 0.8839277915080248
Energy: 0.8833522905277726
Energy: 1.007734688848633
Energy: 0.8830568577415798
Energy: 0.8837737258220211
Energy: 0.8820194511060409
Energy: 0.8830568577379229
Energy: 0.883773725821564
Energy: 0.8820194511005552
Energy: 0.8830568577383798
Energy: 0.8837737258220211
Energy: 0.882019451106955
Energy: 0.8830568577370086
Energy: 0.886679618128388
Energy: 0.88655000048093
Energy: 0.8828537003756238
Energy: 0.8866796181306738
Energy: 0.8865500004791015
Energy: 0.8828537003747094
Energy: 0.8866796181288453
Energy: 0.88655000048093
Energy: 0.8828537003769951
Energy: 0.886679618128388
Energy: 0.8837808538034979
Energy: 0.8832858135224197
Energy: 0.8817897773194483
Energy: 0.8837808538034979
Energy: 0.8832858135201342
Energy: 0.8817897773176199
Energy: 0.8837808538034979
Energy: 0.8832858135192199
Energy: 0.8817897773180771
Energy: 0.883780853803955
Energy: 0.8839712447443064
Energy: 1.0077591020710044
Energy: 0.8832316848790487
Energy: 0.8839712447424778
Energy: 1.0077591020714616
Energy: 0.8832316848827059
Energy: 0.8839712447397352
Energy: 1.0077591020710044
Energy: 0.8832316848831628
Energy: 0.8839712447424778
Energy: 0.8839277915057391
Energy: 0.8833522905323438
Energy: 1.0077346888490897
Energy: 0.8839277915066535
Energy: 0.8833522905277726
Energy: 1.0077346888481757
Energy: 0.883927791505282
Energy: 0.8833522905300581
Energy: 1.0077346888490897
Energy: 0.8839277915093962
Energy: 0.8837737258220211
Energy: 0.8820194511042124
Energy: 0.8830568577402085
Energy: 0.8837737258220211
Energy: 0.8820194511046694
Energy: 0.8830568577388371
Energy: 0.883773725821564
Energy: 0.8820194511037551
Energy: 0.8830568577411226
Energy: 0.8837737258220211
Energy: 0.8865500004777301
Energy: 0.8828537003747094
Energy: 0.8866796181274739
Energy: 0.8865500004804728
Energy: 0.882853700376538
Energy: 0.8866796181302166
Energy: 0.8865500004781873
Energy: 0.8828537003747094
Energy: 0.886679618127931
Energy: 0.8865500004800158
Energy: 0.8832858135151058
Energy: 0.8817897773180771
Energy: 0.8837808538030407
Energy: 0.8832858135233341
Energy: 0.8817897773167056
Energy: 0.8837808538034979
Energy: 0.8832858135155629
Energy: 0.8817897773176199
Energy: 0.8837808538034979
Energy: 0.8832858135137344
Energy: 1.0077591020705474
Energy: 0.8832316848813344
Energy: 0.8839712447401923
Energy: 1.007759102069633
Energy: 0.8832316848854486
Energy: 0.8839712447443064
Energy: 1.0077591020705474
Energy: 0.8832316848799631
Energy: 0.8839712447424778
Energy: 1.0077591020700905
Energy: 0.8833522905282296
Energy: 1.0077346888481757
Energy: 0.8839277915061963
Energy: 0.8833522905314295
Energy: 1.0077346888499625
Energy: 0.8839277915080248
Energy: 0.8833522905328008
Energy: 1.0077346888481757
Energy: 0.8839277915075676
Energy: 0.883352290529601
Energy: 0.8820194511046694
Energy: 0.8830568577383798
Energy: 0.8837737258220211
Energy: 0.8820194511023838
Energy: 0.8830568577342658
Energy: 0.883773725821564
Energy: 0.8820194511037551
Energy: 0.8830568577370086
Energy: 0.8837737258220211
Energy: 0.8820194511046694
Energy: 0.882853700376538
Energy: 0.8866796181293024
Energy: 0.8865500004777301
Energy: 0.8828537003747094
Energy: 0.8866796181297595
Energy: 0.8865500004804728
Energy: 0.8828537003769951
Energy: 0.886679618128388
Energy: 0.8865500004791015
Energy: 0.8828537003737952
Energy: 0.8817897773157914
Energy: 0.8837808538034979
Energy: 0.8832858135210485
Energy: 0.8817897773176199
Energy: 0.8837808538034979
Energy: 0.8832858135128202
Energy: 0.8817897773171628
Energy: 0.8837808538034979
Energy: 0.8832858135210485
Energy: 0.8817897773208198
Energy: 0.8832316848840771
Energy: 0.8839712447415636
Energy: 1.0077591020705474
Energy: 0.88323168488362
Energy: 0.8839712447415636
Energy: 1.0077591020700905
Energy: 0.88323168488362
Energy: 0.8839712447429351
Energy: 1.0077591020710044
Energy: 0.8832316848808772
Energy: 1.0077346888481757
Energy: 0.883927791508939
Energy: 0.8833522905282296
Energy: 1.007734688848633
Energy: 0.8839277915071104
Energy: 0.8833522905300581
Energy: 1.007734688848633
Energy: 0.8839277915080248
Energy: 0.883352290529601
Energy: 1.0077346888477183
Energy: 0.8830568577379229
Energy: 0.8837737258220211
Energy: 0.8820194511032982
Energy: 0.8830568577397513
Energy: 0.883773725821564
Energy: 0.8820194511023838
Energy: 0.8830568577374657
Energy: 0.8837737258224783
Energy: 0.8820194511042124
Energy: 0.8830568577411226
Energy: 0.886679618128388
Energy: 0.8865500004800158
Energy: 0.882853700376538
Energy: 0.8866796181293024
Energy: 0.8865500004777301
Energy: 0.8828537003742524
Energy: 0.886679618128388
Energy: 0.88655000048093
Energy: 0.8828537003760808
Energy: 0.8866796181311308
Energy: 0.8837808538034979
Energy: 0.8832858135178485
Energy: 0.8817897773171628
Energy: 0.883780853803955
Energy: 0.8832858135169342
Energy: 0.8817897773185341
Energy: 0.883780853803955
Energy: 0.8832858135205913
Energy: 0.8817897773180771
Energy: 0.883780853803955

minimum gb energy = 0.8817897773148771 eV
minimum distance =  2.33087714656873 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.8791576162078483
Energy: 0.8547682783402413
Energy: 0.8773256049748877
Energy: 0.8439216316582013
Energy: 0.8547682783443855
Energy: 0.8773256049769598
Energy: 0.8791576161995597
Energy: 0.8547682783381689
Energy: 0.8773256049728154
Energy: 0.8439216316582013
Energy: 0.8973201850036912
Energy: 0.8540219208910409
Energy: 0.8463675784590067
Energy: 0.8973201850016566
Energy: 0.8540219209034738
Energy: 0.8463675784548623
Energy: 0.8973201850036912
Energy: 0.8540219208972574
Energy: 0.8463675784486459
Energy: 0.8973201850036912
Energy: 0.8862091094044594
Energy: 0.8760549759225256
Energy: 0.8894822394803603
Energy: 0.8862091094023873
Energy: 0.8760549759204533
Energy: 0.8894822394845046
Energy: 0.8862091093961708
Energy: 0.876054975930814
Energy: 0.889482239490721
Energy: 0.8862091093940987
Energy: 0.8412151379709257
Energy: 0.837406791875422
Energy: 0.8351465569107005
Energy: 0.8412151379688536
Energy: 0.8374067918795662
Energy: 0.8351465569189892
Energy: 0.8412151379667814
Energy: 0.8374067918733499
Energy: 0.8351465569169171
Energy: 0.8412151379688536
Energy: 0.8485024794799014
Energy: 0.8549387600596258
Energy: 0.913401846288564
Energy: 0.8485024794778293
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Energy: 0.9134018462782032
Energy: 0.8485024794799014
Energy: 0.8549387600596258
Energy: 0.9134018462906361
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Energy: 0.872723565219132
Energy: 0.8951081901773535
Energy: 0.8307561845644775
Energy: 0.8727235652253484
Energy: 0.8951081905957384
Energy: 0.8307561845748382
Energy: 0.8727235652212041
Energy: 0.8951081916272146
Energy: 0.8307561845727661
Energy: 0.8727235652149877
Energy: 0.8693592639110596
Energy: 0.8339329686622726
Energy: 0.8977729427978524
Energy: 0.8694804744858716
Energy: 0.8339329686622726
Energy: 0.8977729427978524
Energy: 0.8693592639172759
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Energy: 0.8977729428019966
Energy: 0.8694804744796552
Energy: 0.8504716178197279
Energy: 0.9177620098340423
Energy: 0.9031713260514524
Energy: 0.8504716178238345
Energy: 0.9177620098298981
Energy: 0.9031713260535246
Energy: 0.8504716178218
Energy: 0.9177620098298981
Energy: 0.9031713260473081
Energy: 0.8504716178238345
Energy: 0.8413740783747308
Energy: 0.8660416147256655
Energy: 0.8744383629875938
Energy: 0.8413740783768028
Energy: 0.8486128807157974
Energy: 0.8576636326498448
Energy: 0.8413740783664421
Energy: 0.8660416147235934
Energy: 0.8744383630000266
Energy: 0.8413740783747308
Energy: 0.850430651306771
Energy: 0.8660822483626418
Energy: 0.9241269109004518
Energy: 0.850409984620543
Energy: 0.8660822483523188
Energy: 0.9013980730696636
Energy: 0.850430651306771
Energy: 0.8660822483523188
Energy: 0.9241269108963075
Energy: 0.8504099846143264
Energy: 0.8499533059131762
Energy: 0.8229279974093214
Energy: 0.8928950891897827
Energy: 0.8499533059173204
Energy: 0.822927997403105
Energy: 0.8928950891836038
Energy: 0.849953305911104
Energy: 0.822927997403105
Energy: 0.8928950891773874
Energy: 0.8499533059173204
Energy: 0.8795990294744702
Energy: 0.8254493917738681
Energy: 0.9911294285514795
Energy: 0.8795990294661815
Energy: 0.825447588084743
Energy: 0.9911294285514795
Energy: 0.8795990294827587
Energy: 0.8254493917800845
Energy: 0.9911294285494074
Energy: 0.8795990294848308
Energy: 0.9396639754562001
Energy: 0.8318599262395016
Energy: 0.8810139556736467
Energy: 0.9396639754562001
Energy: 0.8318599262498623
Energy: 0.881013955663286
Energy: 0.9396639754520558
Energy: 0.8318599262519345
Energy: 0.8810139556674302
Energy: 0.9396639754520558
Energy: 0.827952191928595
Energy: 0.827769760699132
Energy: 0.8256194050062639
Energy: 0.8279521919265229
Energy: 0.8277697606970599
Energy: 0.8256194050104082
Energy: 0.8279521919182342
Energy: 0.8277697607032763
Energy: 0.825619405022841
Energy: 0.8279521919244507
Energy: 0.8939152072586362
Energy: 0.8433739208937606
Energy: 0.8334482340547782
Energy: 0.893915207256564
Energy: 0.8433739208937606
Energy: 0.8337711976325455
Energy: 0.8939152072503476
Energy: 0.8433739208958329
Energy: 0.8334482340547782
Energy: 0.8939152072544919
Energy: 0.8400577138703754
Energy: 0.8489840876893231
Energy: 0.9470590996189248
Energy: 0.8400577138662312
Energy: 0.8489840876913952
Energy: 0.9470590996002755
Energy: 0.8400577138683033
Energy: 0.8489840876893231
Energy: 0.9470590996189248
Energy: 0.8400577138662312
Energy: 0.8501024382669428
Energy: 0.9513117117110717
Energy: 0.8670637340522427
Energy: 0.850102438256582
Energy: 0.951311711717288
Energy: 0.8670637340501706
Energy: 0.8501024382648706
Energy: 0.9513117117110717
Energy: 0.8670637340543148
Energy: 0.8501024382690149
Energy: 0.841472481247957
Energy: 0.8443208322978027
Energy: 0.844027520484363
Energy: 0.8414724812500293
Energy: 0.8443208322998749
Energy: 0.844027520484363
Energy: 0.8414724812375963
Energy: 0.8443208322936961
Energy: 0.8440275204905794
Energy: 0.8414724812438128
Energy: 0.839755450652814
Energy: 0.8248579266955332
Energy: 0.8758164311753753
Energy: 0.8397554506693534
Energy: 0.8248579266934609
Energy: 0.8758164311878082
Energy: 0.8397554506611025
Energy: 0.8248579266872446
Energy: 0.8758164311878082
Energy: 0.839755450652814
Energy: 0.9468739806662755
Energy: 0.833460931574008
Energy: 0.874359303654199
Energy: 0.9468739806621312
Energy: 0.8334609315657194
Energy: 0.874359303652127
Energy: 0.946873980657987
Energy: 0.8334609315677916
Energy: 0.8743593036479826
Energy: 0.9468739806621312
Energy: 0.8837279454589669
Energy: 0.8541366004519412
Energy: 0.9578380922483691
Energy: 0.8837279454631112
Energy: 0.8541366004540132
Energy: 0.9578380922525134
Energy: 0.8837279454610392
Energy: 0.8541366004498689
Energy: 0.9578380922442248
Energy: 0.8837279454651834
Energy: 0.8845274522441907
Energy: 0.8654388887267765
Energy: 0.8308333219192143
Energy: 0.8845274522441907
Energy: 0.8654388887164158
Energy: 0.830833321917142
Energy: 0.8845274522359022
Energy: 0.8654388887371374
Energy: 0.830833321917142
Energy: 0.8845274522359022
Energy: 0.8866140159934688
Energy: 0.8798204134777324
Energy: 0.8916132895469834
Energy: 0.8866845290317787
Energy: 0.8795877522970337
Energy: 0.8916132895469834
Energy: 0.8866140159831081
Energy: 0.8798204134798044
Energy: 0.8916132895469834
Energy: 0.8866845290214179
Energy: 0.8384688339460492
Energy: 0.8808598587200507
Energy: 0.8205082973432914
Energy: 0.8384688339481213
Energy: 0.8808598587159064
Energy: 0.8205082973453637
Energy: 0.8384688339419049
Energy: 0.8808598587159064
Energy: 0.820508297337075
Energy: 0.8384688339501936
Energy: 0.8501956546833751
Energy: 0.8441161306277861
Energy: 0.8449989880551307
Energy: 0.8501956546833751
Energy: 0.8441161306257141
Energy: 0.8449989880696358
Energy: 0.8501956546854473
Energy: 0.8441161306236419
Energy: 0.8449989880654915
Energy: 0.8501956546854473
Energy: 0.8503993732496594
Energy: 0.8999562250483224
Energy: 0.8345456349750909
Energy: 0.8508248273652138
Energy: 0.899956225044178
Energy: 0.8948977709382058
Energy: 0.8503993732496594
Energy: 0.8999562250462502
Energy: 0.8345456349833795
Energy: 0.850824827367286
Energy: 0.8641737162740137
Energy: 0.8242857797394577
Energy: 0.9076607957112974
Energy: 0.8641737162677973
Energy: 0.82428577974153
Energy: 0.9076607957133696
Energy: 0.8641737162574367
Energy: 0.82428577974153
Energy: 0.9076607957092254
Energy: 0.8641737162677973
Energy: 0.9295460421043475
Energy: 0.8443597463216223
Energy: 0.990090082747222
Energy: 0.9295460421043475
Energy: 0.8443597463133338
Energy: 0.9900900827513665
Energy: 0.9295460420981311
Energy: 0.8443597463133338
Energy: 0.9900900827410057
Energy: 0.9295460421002033
Energy: 0.9175024149657749
Energy: 0.8255652210013658
Energy: 0.883226318985477
Energy: 0.8840644437333619
Energy: 0.8252881925818901
Energy: 0.8832263189709719
Energy: 0.9175024149616304
Energy: 0.8255652210034381
Energy: 0.8832263189771884
Energy: 0.8840644437312898
Energy: 0.8481014150483804
Energy: 0.828534499824484
Energy: 0.8660167286158358
Energy: 0.8481014150483804
Energy: 0.8285344998265561
Energy: 0.8660167286158358
Energy: 0.8481014150442362
Energy: 0.8285344998286283
Energy: 0.8660167286116915
Energy: 0.8481014150463083
Energy: 0.8742145747428381
Energy: 0.8864099590901974
Energy: 0.835891465586845
Energy: 0.8742145747490545
Energy: 0.8864099590922695
Energy: 0.8358875561660198
Energy: 0.874214574740766
Energy: 0.8864099590819089
Energy: 0.8358914655764843
Energy: 0.8742145747428381
Energy: 0.8252698653654413
Energy: 0.8463718026104523
Energy: 0.8290746195893852
Energy: 0.8252698653675135
Energy: 0.8463718026145964
Energy: 0.829074619585241
Energy: 0.825269865359225
Energy: 0.8463718026187032
Energy: 0.829074619585241
Energy: 0.8252698653530084
Energy: 0.8790835628368611
Energy: 0.9475080179023299
Energy: 0.885101823961782
Energy: 0.8437508412834619
Energy: 0.9475080178981854
Energy: 0.8851018239721428
Energy: 0.8790835628430775
Energy: 0.9475080179002574
Energy: 0.8851018239679985
Energy: 0.8437508412751733
Energy: 0.8413200756555526
Energy: 0.8330028098571629
Energy: 0.9216710182005327
Energy: 0.8441683741746739
Energy: 0.8330028098509465
Energy: 0.9443651943274989
Energy: 0.8413200756679854
Energy: 0.8330028098550909
Energy: 0.9216710182150377
Energy: 0.8441683741726019
Energy: 0.8240073925051495
Energy: 0.9118333995082231
Energy: 0.8496849558970392
Energy: 0.8240073924989331
Energy: 0.9118333995102952
Energy: 0.8496849559011835
Energy: 0.8240073925010052
Energy: 0.9118333995020067
Energy: 0.8496849558949671
Energy: 0.8240073925010052
Energy: 0.9864494470735583
Energy: 0.8378232903529725
Energy: 0.881631846347615
Energy: 0.9864494470756303
Energy: 0.8378232903467561
Energy: 0.8816318463393642
Energy: 0.9864494470818467
Energy: 0.8378232903529725
Energy: 0.881631846337292
Energy: 0.9864494470756303
Energy: 0.8478958627371471
Energy: 0.9520364481083643
Energy: 0.8265503446093956
Energy: 0.8478958627371471
Energy: 0.952036448118725
Energy: 0.8264996544857853
Energy: 0.8478958627267863
Energy: 0.9520364481166528
Energy: 0.8265503446073236
Energy: 0.8478958627371471
Energy: 0.9647500510630007
Energy: 0.9019365959597234
Energy: 0.8253749173746079
Energy: 0.9647500510630007
Energy: 0.9019365959659399
Energy: 0.8253749173808242
Energy: 0.9647500510650728
Energy: 0.9019365959617955
Energy: 0.8253749173683914
Energy: 0.964750051067145
Energy: 0.833671844869699
Energy: 0.9612417747709158
Energy: 0.8444380073594627
Energy: 0.8336718448676269
Energy: 0.9612417747791667
Energy: 0.8444380073594627
Energy: 0.8336718448717713
Energy: 0.9612417747709158
Energy: 0.8444380073573907
Energy: 0.8336718448759154
Energy: 0.8267182650718113
Energy: 0.8869390469991834
Energy: 0.8257384187675604
Energy: 0.826718265069739
Energy: 0.8869390469971112
Energy: 0.8257384187717047
Energy: 0.8267182650738835
Energy: 0.8869390470012555
Energy: 0.825738418773777
Energy: 0.826718265067667
Energy: 0.8517240634649594
Energy: 0.897160460418089
Energy: 0.85024136809268
Energy: 0.8517240634649594
Energy: 0.8971604604201612
Energy: 0.8502413680988964
Energy: 0.8517240634670314
Energy: 0.8971604604201612
Energy: 0.8502413680947521
Energy: 0.8517240634691037
Energy: 0.9463682894563973
Energy: 0.8598494436278459
Energy: 0.8457534325103775
Energy: 0.9463682894543252
Energy: 0.8482387797478544
Energy: 0.8480361411014973
Energy: 0.9463682894584694
Energy: 0.8598494436237016
Energy: 0.8457534325103775
Energy: 0.9463682894481086
Energy: 0.8250638480969864
Energy: 0.8231257037665439
Energy: 0.886926051301967
Energy: 0.8250638480928422
Energy: 0.8231257037582553
Energy: 0.886926051316472
Energy: 0.8250638480886978
Energy: 0.8231257037603276
Energy: 0.8869260513081835
Energy: 0.8250638480907702
Energy: 0.8801083993760749
Energy: 0.8401560166090365
Energy: 0.8798028241452936
Energy: 0.880108399378147
Energy: 0.8401560166069642
Energy: 0.8798028241432215
Energy: 0.880108399378147
Energy: 0.840156016615253
Energy: 0.8798028241411493
Energy: 0.880108399380219
Energy: 0.8881997190481451
Energy: 0.8277005320751721
Energy: 0.8455160532666649
Energy: 0.8881997190461106
Energy: 0.8278437685880792
Energy: 0.8455160532645926
Energy: 0.8881997190522894
Energy: 0.8277005320689558
Energy: 0.8455160532728813
Energy: 0.8881997190481451
Energy: 0.8476284962037565
Energy: 0.8434034740725078
Energy: 0.9460047744164102
Energy: 0.8476284962058288
Energy: 0.8434034740745799
Energy: 0.9460047744205544
Energy: 0.8476284962079008
Energy: 0.8434034740704357
Energy: 0.9460047744122657
Energy: 0.8476284962058288
Energy: 0.8891418573186396
Energy: 0.8596420773387218
Energy: 0.8335594705726243
Energy: 0.889141857324856
Energy: 0.859642077328361
Energy: 0.8335322398612537
Energy: 0.889141857324856
Energy: 0.859642077328361
Energy: 0.8335594705726243
Energy: 0.889141857324856
Energy: 0.8255588951819229
Energy: 0.8658197935734065
Energy: 0.8265981566724803
Energy: 0.8255588951881393
Energy: 0.8658197935837674
Energy: 0.8265981566662638
Energy: 0.8255588951715622
Energy: 0.8658197935837674
Energy: 0.8265981566704081
Energy: 0.82555889516949
Energy: 0.8446350636585481
Energy: 0.9490437580920484
Energy: 0.8341177678136117
Energy: 0.8446350636626923
Energy: 0.9490437581024093
Energy: 0.8341177678219003
Energy: 0.8446350636689088
Energy: 0.9490437581044814
Energy: 0.8341177678281166
Energy: 0.8446350636606202

minimum gb energy = 0.820508297337075 eV
minimum distance =  2.28600292281322 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7655846798130276
Energy: 0.7664457686272725
Energy: 0.7661241969656398
Energy: 0.7655846798107628
Energy: 0.7664457686257627
Energy: 0.7661241969656398
Energy: 0.7655846798130276
Energy: 0.7664457686257627
Energy: 0.766124196964885
Energy: 0.7655846798107628
Energy: 0.788787511706326
Energy: 0.7596042593932462
Energy: 0.7680554687661029
Energy: 0.7887875117048162
Energy: 0.7596042594000404
Energy: 0.7680554687661029
Energy: 0.788787511706326
Energy: 0.7596042593932462
Energy: 0.7680554687661029
Energy: 0.7887875117025515
Energy: 0.7548174260862766
Energy: 0.7530914304531594
Energy: 0.8732474041895996
Energy: 0.7548174260892961
Energy: 0.7530914304508947
Energy: 0.8732484366026325
Energy: 0.7548174260877863
Energy: 0.7530914304531594
Energy: 0.8732472585934529
Energy: 0.7548174260915609
Energy: 0.8619394923563836
Energy: 0.869626410337431
Energy: 0.7929041875110329
Energy: 0.8619394923578935
Energy: 0.869626410338941
Energy: 0.7929041875087681
Energy: 0.8619394923563836
Energy: 0.869626410337431
Energy: 0.7929041875110329
Energy: 0.8619394923586483
Energy: 0.8515982807778018
Energy: 0.7640545339698415
Energy: 0.8628430395757871
Energy: 0.8515982807770468
Energy: 0.7640545339721061
Energy: 0.8628430395765421
Energy: 0.8515982807778018
Energy: 0.7640545339698415
Energy: 0.8628430395750323
Energy: 0.8515982807770468
Energy: 0.7931822828225272
Energy: 0.8866480565795921
Energy: 0.759675626114747
Energy: 0.793182282824037
Energy: 0.8866480565788373
Energy: 0.7596756261185216
Energy: 0.7931822828225272
Energy: 0.8866480565795921
Energy: 0.759675626114747
Energy: 0.793182282824037
Energy: 0.7892541991620202
Energy: 0.7777541433444473
Energy: 0.7534247207723596
Energy: 0.789254199164285
Energy: 0.7777541433497317
Energy: 0.7534247207700948
Energy: 0.78925419916353
Energy: 0.7777541433452022
Energy: 0.7534247207723596
Energy: 0.78925419916353
Energy: 0.7815480971175665
Energy: 0.9158649474213986
Energy: 0.7601403013648927
Energy: 0.7815480971137919
Energy: 0.9158649474213986
Energy: 0.7601403013664026
Energy: 0.7815480971175665
Energy: 0.9158649474213986
Energy: 0.7601403013641379
Energy: 0.781548097113037
Energy: 0.8562604657888057
Energy: 0.7639171491817526
Energy: 0.7641941918868219
Energy: 0.8562604657872959
Energy: 0.7639171491825074
Energy: 0.7641941918883317
Energy: 0.8562604657895605
Energy: 0.7639171491817526
Energy: 0.7641941918868219
Energy: 0.8562604657827663
Energy: 0.8665272896819313
Energy: 0.7856224333569485
Energy: 0.9891456326518768
Energy: 0.8665272896811762
Energy: 0.7856224333569485
Energy: 0.9891456326579162
Energy: 0.8665272896811762
Energy: 0.7856224333554386
Energy: 0.9891456326518768
Energy: 0.8665272896811762
Energy: 0.8515074724805836
Energy: 0.8491919158598986
Energy: 0.7887365839056754
Energy: 0.8515074724813385
Energy: 0.8491919158614084
Energy: 0.7887365839049204
Energy: 0.8515074724805836
Energy: 0.8491919158553691
Energy: 0.7887365839056754
Energy: 0.8515074724805836
Energy: 0.7834798609448053
Energy: 0.760158567706615
Energy: 0.8514734147741975
Energy: 0.7834798609470701
Energy: 0.7601585677073699
Energy: 0.8514734147734426
Energy: 0.7834798609448053
Energy: 0.760158567706615
Energy: 0.8514734147741975
Energy: 0.7834798609470701
Energy: 0.7638051850708895
Energy: 0.857960545648078
Energy: 0.7637852223930414
Energy: 0.7638051850693796
Energy: 0.8579605456495878
Energy: 0.7637852223952718
Energy: 0.7638051850708895
Energy: 0.857960545647323
Energy: 0.7637852223930414
Energy: 0.7638051850693796
Energy: 0.7735161484668505
Energy: 0.7592491845860119
Energy: 0.7611934180543737
Energy: 0.7735161484668505
Energy: 0.759249184583747
Energy: 0.7611934180581483
Energy: 0.7735161484653407
Energy: 0.7592491845860119
Energy: 0.7611934180558836
Energy: 0.7735161484660956

minimum gb energy = 0.7530914304508947 eV
minimum distance =  2.30205868702249 Angstroms
sigma value = 33