Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.020899525691166376
Energy: 0.8452015860644517
Energy: 1.3873789207734941
Energy: 0.8452219923900673
Energy: 0.020899525693766196
Energy: 0.8452015860628678
Energy: 1.3873789207734941
Energy: 0.971897783581731
Energy: 0.021341795783626116
Energy: 0.4277129922762169
Energy: 0.021468131122408453
Energy: 0.971897783581731
Energy: 0.021341795783626116
Energy: 0.4277129922762169
Energy: 0.020899525691166376
Energy: 0.8452015860641826
Energy: 1.3873789207734941
Energy: 0.8452219923905754
Energy: 0.020899525693766196
Energy: 0.8452015860625988
Energy: 1.3873789207734941
Energy: 0.971897783581731
Energy: 0.021341795783626116
Energy: 0.42771299227597775
Energy: 0.021468131122408453
Energy: 0.971897783581731
Energy: 0.021341795783626116
Energy: 0.4277129922762169
Energy: 0.020899525691166376
Energy: 0.8452015860639137
Energy: 2.33113244516148
Energy: 0.8452219923905754
Energy: 0.020899525693766196
Energy: 0.8452015860628678
Energy: 2.33113244515885
Energy: 0.971897783581731
Energy: 0.021341795783626116
Energy: 0.4277129922762169
Energy: 0.021468131122408453
Energy: 0.971897783581731
Energy: 0.021341795783626116
Energy: 0.4277129922762169

minimum gb energy = 0.020899525691166376 eV
minimum distance =  2.47667669029728 Angstroms
sigma value = 5


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

Energy: 2.1356574727959687
Energy: 2.0072958981377287
Energy: 2.049251923768661
Energy: 2.0071315873994076
Energy: 2.1356574727863302
Energy: 2.007295898121665
Energy: 2.0492519237622355
Energy: 1.9890495537119268
Energy: 1.9737581176861807
Energy: 2.033308295537248
Energy: 2.001688074687888
Energy: 1.9890495537247779
Energy: 1.9737581176861807
Energy: 2.033308295534036
Energy: 2.001390567455708
Energy: 2.0067974135077837
Energy: 1.9888460572113817
Energy: 1.9984040400298517
Energy: 2.0013905674203687
Energy: 2.0067974134885076
Energy: 1.9888460572145945
Energy: 2.07534652878287
Energy: 1.9781569138434807
Energy: 2.0006161756539433
Energy: 2.036549942954185
Energy: 2.0753465288149973
Energy: 1.9781569138370552
Energy: 2.000616175660369
Energy: 2.034085858408531
Energy: 1.9815382871648728
Energy: 2.0191248055675897
Energy: 1.9966368116341973
Energy: 2.0340858583988926
Energy: 1.9815382871584475
Energy: 2.0191248055611646
Energy: 2.0152059731440852
Energy: 2.028466150032059
Energy: 2.027598298408474
Energy: 1.9823937207339142
Energy: 2.0152059731376597
Energy: 2.0284661500288466
Energy: 2.0275982984213248
Energy: 1.998908901051855
Energy: 2.0439003623353766
Energy: 2.014788811129003
Energy: 2.0379551455803284
Energy: 1.998908901051855
Energy: 2.0439003623290093
Energy: 2.014788811129003
Energy: 1.997672289341374
Energy: 2.000357052534303
Energy: 1.979517401341791
Energy: 1.9999910735456963
Energy: 1.9976722893349488
Energy: 2.0003570525471543
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Energy: 2.034018738957916
Energy: 1.962677797957505
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Energy: 1.962677797957505
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Energy: 2.014166640273848
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Energy: 2.0277235775121896
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Energy: 1.9786044662188311
Energy: 2.035646240653769
Energy: 1.945142184239477
Energy: 2.0359516643352404
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Energy: 1.99051380944955
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Energy: 2.0555365416879985
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Energy: 2.040514932230896
Energy: 2.0260551977103085
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Energy: 2.0263123639633576
Energy: 1.9741857585881115
Energy: 1.9599509336545975
Energy: 2.0148729999221855
Energy: 2.0105529578409382
Energy: 1.9741857586106
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Energy: 2.014872999925398
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Energy: 2.0157825058164236
Energy: 2.029992316376334
Energy: 2.0257537107732486
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Energy: 2.015782505813211
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Energy: 1.9918010710891425
Energy: 2.0229531734516124
Energy: 1.9884635409342633
Energy: 2.016507737665872
Energy: 1.9918010710923555
Energy: 2.0157098910729605
Energy: 2.0206504277327575
Energy: 1.956741810394718
Energy: 2.053975480619844
Energy: 2.015709891085811
Energy: 2.020650427745608
Energy: 1.9567418103882928
Energy: 1.9972478912534581
Energy: 1.979990872607326
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Energy: 2.015625535093909
Energy: 2.025782365527835
Energy: 2.0223872638519773
Energy: 1.9767772018796128
Energy: 2.033734761056438
Energy: 2.0257823655246225
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Energy: 1.9767772018796128
Energy: 2.0331821170816164
Energy: 1.9808574991659897
Energy: 1.9897970237428801
Energy: 1.9943097697250405
Energy: 2.0331821170816164
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Energy: 1.9652064329122063
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Energy: 2.000961894204119
Energy: 1.9933257001643334
Energy: 1.9998647459348176
Energy: 2.0160183660966116
Energy: 2.0009618941976934
Energy: 1.993325700161121
Energy: 1.982930568976619
Energy: 1.983665977816064
Energy: 1.9857660745450036
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Energy: 2.038627090632392
Energy: 2.030846763703106
Energy: 2.0800954642079548
Energy: 2.028733858935484
Energy: 2.038627090645243
Energy: 2.030846763706319
Energy: 2.0800954642015297
Energy: 2.016733716673449
Energy: 2.0182055614196877
Energy: 1.9751802908531029
Energy: 2.0020257403357498
Energy: 2.0167337166670234
Energy: 2.018205561435751
Energy: 1.9751802908434648
Energy: 2.116786261976731
Energy: 1.9713895267365238
Energy: 2.0018399237675477
Energy: 1.9856891321560304
Energy: 2.116786261973518
Energy: 1.9713895267300983
Energy: 2.001839923761122
Energy: 2.0841416458458926
Energy: 2.0758339768079326
Energy: 1.996201227552384
Energy: 2.0771047436662013
Energy: 2.0841416458458926
Energy: 2.075833976814358
Energy: 1.9962012275555965
Energy: 2.0021746160361547
Energy: 2.0182947656047534
Energy: 1.931865620532113
Energy: 1.9829456829474323
Energy: 2.0021746160297877
Energy: 2.0182947656143915
Energy: 1.9318656205256877
Energy: 1.9855703229073693
Energy: 2.002835294850443
Energy: 2.07413608161319
Energy: 2.018865235391212
Energy: 1.9855703229009434
Energy: 2.0028352948632935
Energy: 2.074136081603552
Energy: 2.0344323298063127
Energy: 2.0528185414699642
Energy: 1.9869862749838278
Energy: 2.0425287339174143
Energy: 2.0344323298255893
Energy: 2.0528185414699642
Energy: 1.9869862749966787
Energy: 1.99858777893716
Energy: 1.9970071684722361
Energy: 2.0012153089054725
Energy: 1.9623405526177984
Energy: 1.998587778950011
Energy: 1.997007168462598
Energy: 2.0012153088990474
Energy: 2.037403809968234
Energy: 2.028908170345359
Energy: 1.995125527422476
Energy: 2.000976684362905
Energy: 2.0374038099875107
Energy: 2.0289081703614222
Energy: 1.9951255274353268
Energy: 2.042470665505995
Energy: 2.0004148033595412
Energy: 1.9771377953924891
Energy: 2.0000169148003
Energy: 2.0424706654963574
Energy: 2.0004148033659668
Energy: 1.9771377954214033
Energy: 1.999403958395881
Energy: 2.002341380233779
Energy: 1.9911384702864756
Energy: 2.0146908606314495
Energy: 1.999403958405519
Energy: 2.0023413802594803
Energy: 1.9911384702961135
Energy: 2.0333225632535346
Energy: 2.0277824756648974
Energy: 1.989970725044358
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Energy: 2.0333225632663856
Energy: 2.027782475652047
Energy: 1.9899707250668468
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Energy: 2.033762240075821
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Energy: 2.022922511465002
Energy: 1.9609185793891475
Energy: 2.0337622400790334
Energy: 2.053163630009991
Energy: 1.9834027118104995
Energy: 2.0142622115543176
Energy: 1.9950083615848715
Energy: 1.9812184776389965
Energy: 1.983402711829776
Energy: 2.014262211544679
Energy: 1.9950083616009349
Energy: 2.0152259163986823
Energy: 2.074483167395813
Energy: 1.9524337829888192
Energy: 2.0401879946712826
Energy: 2.0152259164051074
Energy: 2.0744831674022386
Energy: 1.9524337829856067
Energy: 1.9779917742284348
Energy: 1.957589224814223
Energy: 1.990502346353949
Energy: 2.0053812112382543
Energy: 1.977991774218797
Energy: 1.957589224823861
Energy: 1.9905023463186093
Energy: 2.010772839540391
Energy: 2.016310676770338
Energy: 2.001577779473841
Energy: 2.0164187536460703
Energy: 2.010772839530753
Energy: 2.016310676767125
Energy: 2.0015777794674157
Energy: 2.055013153639912
Energy: 2.0039487952366857
Energy: 2.0146352701594634
Energy: 1.962203806423762
Energy: 2.0550131536334866
Energy: 2.003948795227106
Energy: 2.0146352701755266
Energy: 2.044094928836945
Energy: 2.0404431337878695
Energy: 1.9683775742673941
Energy: 2.055608398601787
Energy: 2.044094928843371
Energy: 2.0404431337910824
Energy: 1.9683775742706064
Energy: 2.0039373632775037
Energy: 2.0153101989399143
Energy: 1.9972316844544666
Energy: 2.00568065564737
Energy: 2.0039373632614397
Energy: 2.015310198930276
Energy: 1.997231684441616
Energy: 1.9608252389437224
Energy: 2.0360945872408966
Energy: 1.985664180863461
Energy: 2.0329347802184796
Energy: 1.9608252389308716
Energy: 2.0360945872216205
Energy: 1.9856641808891622
Energy: 2.0331333146282153
Energy: 2.0381788188501715
Energy: 1.992062467189207
Energy: 2.0373762815355434
Energy: 2.0331333146121517
Energy: 2.038178818843746
Energy: 1.9920624671859941
Energy: 1.961096997635445
Energy: 2.0342087893055267
Energy: 2.000158558983819
Energy: 2.022375484836065
Energy: 1.9610969976515087
Energy: 2.0342087893312284
Energy: 2.000158558983819

minimum gb energy = 1.9318656205256877 eV
minimum distance =  2.21153961889699 Angstroms
sigma value = 401


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

Energy: 2.0249940252168575
Energy: 2.1073421995313923
Energy: 2.0505977225746825
Energy: 2.0958351894146663
Energy: 2.024994025194977
Energy: 2.1073421995277455
Energy: 2.050597722571036
Energy: 1.9994276158794457
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Energy: 2.036197078592205
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Energy: 2.036197078588558
Energy: 1.9891070799468045
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Energy: 2.0805444689999466
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Energy: 2.121200458662501
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Energy: 1.989422967651819
Energy: 2.1139399072817997
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Energy: 1.9889597519763162
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Energy: 1.9883649832043522
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Energy: 2.1101647486392556
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Energy: 2.0490702370749525
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Energy: 1.9888453296897637
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Energy: 1.9891901310669722
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Energy: 2.024430591881578
Energy: 2.009911131206751
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Energy: 2.0119497370283845
Energy: 2.066102203935531
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Energy: 2.0249940252168575
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Energy: 2.0074810236011507
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Energy: 2.024994025194977
Energy: 2.1073421995277455
Energy: 2.007481023593857
Energy: 1.9994276158830924
Energy: 2.108871582050969
Energy: 2.01298928458531
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Energy: 1.9994276158648585
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Energy: 2.01298928458531
Energy: 1.9891070799468045
Energy: 2.1017232300478845
Energy: 2.009246125907165
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Energy: 1.9891070799540982
Energy: 2.101723230055178
Energy: 2.0092461258998715
Energy: 1.989189838995166
Energy: 2.1212004586515607
Energy: 2.0133868421237975
Energy: 1.9934567873841094
Energy: 1.9891898389988125
Energy: 2.121200458662501
Energy: 2.0133868421310908
Energy: 1.9894229676481725
Energy: 2.113939907278153
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Energy: 2.04492793611468
Energy: 1.989422967651819
Energy: 2.1139399072708596
Energy: 2.0086184835086316
Energy: 1.9889597519799633
Energy: 2.086082886462143
Energy: 1.981733353245396
Energy: 2.0957249676030454
Energy: 1.9889597519872564
Energy: 2.0860828864584966
Energy: 1.9817333532526893
Energy: 1.9883649832152923
Energy: 2.0326642762005265
Energy: 2.006953956614778
Energy: 2.0423430268272145
Energy: 1.9883649832262325
Energy: 2.0326642761968796
Energy: 2.006953956636658
Energy: 1.9885323385316191
Energy: 2.04831109162623
Energy: 2.035758591393408
Energy: 2.0379876959634795
Energy: 1.9885323385462061
Energy: 2.0483110916189364
Energy: 2.0357585913897616
Energy: 1.9888118996150503
Energy: 2.045517769832239
Energy: 2.020733706271837
Energy: 2.1096846523862673
Energy: 1.9888118996186968
Energy: 2.0455177698212985
Energy: 2.0207337062754833
Energy: 1.9886529170299774
Energy: 2.080755959511625
Energy: 2.1537480843098806
Energy: 2.110164748631962
Energy: 1.9886529170190372
Energy: 2.080755959511625
Energy: 2.1537480843062338
Energy: 1.9888453296861166
Energy: 2.069934740772159
Energy: 2.1340552777897606
Energy: 2.1099140733495516
Energy: 1.9888453296934103
Energy: 2.069934740772159
Energy: 2.1340552777861133
Energy: 1.9892086973571201
Energy: 2.0520479457290524
Energy: 2.008493261707557
Energy: 2.1115428445948003
Energy: 1.98920869734618
Energy: 2.0520479457254055
Energy: 2.0084932617221445
Energy: 2.0273174396408375
Energy: 2.0865530470558995
Energy: 2.0119497370320314
Energy: 2.066102203931884
Energy: 2.0273174396517777
Energy: 2.086553047052252
Energy: 2.011949737035678
Energy: 2.039600299362631
Energy: 2.1073421995350388
Energy: 2.007481023593857
Energy: 2.095835189418313
Energy: 2.0396002993845115
Energy: 2.1073421995277455
Energy: 2.00748102359021
Energy: 1.9994276158757989
Energy: 2.108871582061909
Energy: 2.012989284588957
Energy: 2.054394676384208
Energy: 1.9994276158685054
Energy: 2.1088715820692028
Energy: 2.0129892845817294

minimum gb energy = 1.981733353245396 eV
minimum distance =  2.24549624985074 Angstroms
sigma value = 311


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

Energy: 2.2145081878338675
Energy: 2.0825992444059596
Energy: 2.2413970497117917
Energy: 2.0592921356247595
Energy: 2.2145081878342885
Energy: 2.082599244408065
Energy: 2.241397049714318
Energy: 2.222710805104955
Energy: 2.075540592723287
Energy: 2.0790825697281003
Energy: 2.1147364707365037
Energy: 2.2227108051057973
Energy: 2.075540592725814
Energy: 2.07908256972768
Energy: 2.155397705263658
Energy: 2.042816791798785
Energy: 2.239565823543569
Energy: 2.028489157524551
Energy: 2.155397705261131
Energy: 2.0428167917954165
Energy: 2.239565823542727
Energy: 2.072851660287552
Energy: 2.0561451386492116
Energy: 2.118093600306371
Energy: 2.018260029643578
Energy: 2.0728516602871307
Energy: 2.0561451386521594
Energy: 2.118093600306371
Energy: 2.1613753486887366
Energy: 2.1171348120938993
Energy: 2.1723901018290466
Energy: 2.049709607107606
Energy: 2.161375348690421
Energy: 2.1171348120938993
Energy: 2.1723901018290466
Energy: 2.089568072254731
Energy: 2.04474608044962
Energy: 2.0468943605646115
Energy: 2.0512377435387927
Energy: 2.0895680722492567
Energy: 2.044746080444146
Energy: 2.0468943605654544
Energy: 2.1432086537421604
Energy: 2.0818142999869216
Energy: 2.0763710017890125
Energy: 2.0988637554132734
Energy: 2.1432086537484762
Energy: 2.0818142999869216
Energy: 2.0763710017852226
Energy: 2.055049699670143
Energy: 2.1029143025100123
Energy: 2.0938631376877983
Energy: 2.0502584465022347
Energy: 2.055049699671827
Energy: 2.1029143025142236
Energy: 2.093863137690746
Energy: 2.0473359511774762
Energy: 2.1096524188380434
Energy: 2.0368749630297267
Energy: 2.0508671861448398
Energy: 2.04733595118253
Energy: 2.109652418837623
Energy: 2.036874963022989
Energy: 2.0501022254550167
Energy: 2.114805940321424
Energy: 2.1965072803128805
Energy: 2.0610387381532855
Energy: 2.0501022254529118
Energy: 2.1148059403188975
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Energy: 2.110379546704764
Energy: 2.0880727798190564
Energy: 2.036642806909361
Energy: 2.1713356092876617
Energy: 2.1103795467068696
Energy: 2.0880727798262146
Energy: 2.1156892084073484
Energy: 2.1233198758104446
Energy: 2.1346532418349526
Energy: 2.1739312693074497
Energy: 2.1156892084065064
Energy: 2.1233198758096026
Energy: 2.1346532418311632
Energy: 2.1158171364152523
Energy: 2.0672744420411293
Energy: 2.21442715599665
Energy: 2.1044179493723267
Energy: 2.115817136413989
Energy: 2.067274442034813
Energy: 2.2144271559903337
Energy: 2.144075520204236
Energy: 2.044144532441113
Energy: 2.1535904423028005
Energy: 2.049522073744964
Energy: 2.1440755201996042
Energy: 2.04414453243985
Energy: 2.1535904423040257
Energy: 2.125624241624754
Energy: 2.0777088337847256
Energy: 2.085638733132901
Energy: 2.0256946998206478
Energy: 2.1256242416222273
Energy: 2.0777088337847256
Energy: 2.0856387331307955
Energy: 2.0615665998051407
Energy: 2.1849900476988333
Energy: 2.148958926014453
Energy: 2.0902572428334634
Energy: 2.061566599806404
Energy: 2.18499004770515
Energy: 2.1489589260148745
Energy: 2.117480537476645
Energy: 2.042574030012193
Energy: 2.0792541057940435
Energy: 2.1443027857909303
Energy: 2.1174805374753816
Energy: 2.042574030012614
Energy: 2.079254105791938
Energy: 2.025403133746253
Energy: 2.0822500433936066
Energy: 2.2189567954313962
Energy: 2.075881374849263
Energy: 2.025403133746674
Energy: 2.082250043392343
Energy: 2.2189567954263434
Energy: 2.143179925232736
Energy: 2.084051959116795
Energy: 2.063343875139089
Energy: 2.05052231697441
Energy: 2.143179925232736
Energy: 2.084051959115953
Energy: 2.063343875138668
Energy: 2.0553099958236194
Energy: 2.0631583968859992
Energy: 2.069086449798643
Energy: 2.050567118146329
Energy: 2.0553099958236194
Energy: 2.063158396879262
Energy: 2.0690864497978008
Energy: 2.1432632467469537
Energy: 2.108336126460786
Energy: 2.1158914016620427
Energy: 2.059643277461038
Energy: 2.1432632467461117
Energy: 2.108336126461628
Energy: 2.1158914016607797
Energy: 2.054803117031959
Energy: 2.0670100343506546
Energy: 2.025952277680089
Energy: 2.0363764180875656
Energy: 2.054803117031959
Energy: 2.0670100343456017
Energy: 2.0259522776775625
Energy: 2.1199537040768086
Energy: 1.997470683512026
Energy: 2.1285914827987966
Energy: 2.06755465135025
Energy: 2.119953704075545
Energy: 1.9974706835111842
Energy: 2.1285914827983756
Energy: 2.089805804652154
Energy: 2.0537698108111657
Energy: 2.0401267733671276
Energy: 2.109998789753554
Energy: 2.0898058046534174
Energy: 2.053769810814956
Energy: 2.0401267733620747
Energy: 2.0902493216902167
Energy: 2.0534031266065673
Energy: 2.1162990059525963
Energy: 2.048618675472785
Energy: 2.0902493216906377
Energy: 2.0534031266074093
Energy: 2.1162990059475435
Energy: 2.1648279453440455
Energy: 2.103358158036267
Energy: 2.080785731835539
Energy: 2.0317760606490682
Energy: 2.1648279453432036
Energy: 2.103358158035004
Energy: 2.080785731837644
Energy: 2.1661047658136594
Energy: 2.0910803906558524
Energy: 2.1848197130235114
Energy: 2.0593152170776423
Energy: 2.1661047658111334
Energy: 2.091080390657537
Energy: 2.1848197130273013
Energy: 2.133360423467515
Energy: 2.060725361236129
Energy: 2.1360544115198135
Energy: 2.107272634300696
Energy: 2.133360423466252
Energy: 2.0607253612378136
Energy: 2.13605441151855
Energy: 2.1543438127962666
Energy: 2.0702322980255534
Energy: 2.1044653291509037
Energy: 2.0645400738279
Energy: 2.154343812802583
Energy: 2.0702322980301857
Energy: 2.104465329147956
Energy: 2.0576820558534066
Energy: 2.067794925981096
Energy: 2.062386491179572
Energy: 1.9844726951286613
Energy: 2.057682055856776
Energy: 2.067794925980675
Energy: 2.0623864911804146
Energy: 2.1708602729287265
Energy: 2.1170140156943114
Energy: 2.1875547638686594
Energy: 2.049649826851361
Energy: 2.1708602729228312
Energy: 2.1170140156947324
Energy: 2.187554763867396
Energy: 2.09483543251437
Energy: 2.089809248139441
Energy: 2.034451092478923
Energy: 2.018464779371404
Energy: 2.0948354325147913
Energy: 2.089809248145719
Energy: 2.0344510924747508
Energy: 2.17135870888846
Energy: 2.0813535894124566
Energy: 2.0653914040004624
Energy: 2.0990600850435164
Energy: 2.171358708887618
Energy: 2.0813535894128776
Energy: 2.0653914040042523
Energy: 2.0549989419342336
Energy: 2.07159701293611
Energy: 2.07379045801979
Energy: 2.083229432352159
Energy: 2.054998941931286
Energy: 2.0715970129377945
Energy: 2.0737904580210533
Energy: 2.1542473237533217
Energy: 2.0612300044758842
Energy: 2.1133788839793786
Energy: 2.0509801996433814
Energy: 2.1542473237541637
Energy: 2.0612300044779897
Energy: 2.113378883977694
Energy: 2.0503023848967508
Energy: 2.085606777840916
Energy: 2.106655816204994
Energy: 2.0609732441237236
Energy: 2.050302384898014
Energy: 2.0856067778426
Energy: 2.1066558161948876

minimum gb energy = 1.9844726951286613 eV
minimum distance =  2.24277613460344 Angstroms
sigma value = 39


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

Energy: 2.0709490490109186
Energy: 2.108377486166677
Energy: 2.1114701079098777
Energy: 2.1082712373255514
Energy: 2.070949049003464
Energy: 2.108377486153304
Energy: 2.1114701079123623
Energy: 2.0490707217639272
Energy: 2.0734887227338206
Energy: 1.8871738296388552
Energy: 2.0733728009070993
Energy: 2.0490707217713817
Energy: 2.07348872274123
Energy: 1.8871738296428309
Energy: 2.070977477349118
Energy: 1.9284420830779707
Energy: 1.9257925990554992
Energy: 2.10569640854243
Energy: 2.070977477356573
Energy: 1.9284420830829403
Energy: 1.9257925990475477
Energy: 2.0478983180356765
Energy: 2.075714347860966
Energy: 1.886939775880217
Energy: 2.045125260808152
Energy: 2.047898318030707
Energy: 2.0757143478535562
Energy: 1.886939775885187
Energy: 2.1157062530756043
Energy: 2.105097708450972
Energy: 2.034794577144117
Energy: 2.1059215966797726
Energy: 2.1157062530780895
Energy: 2.105097708454451
Energy: 2.0347945771500804
Energy: 2.0480886773775544
Energy: 2.0737531684453603
Energy: 2.130607273454162
Energy: 2.046981168707093
Energy: 2.048088677385009
Energy: 2.0737531684379054
Energy: 2.130607273444268
Energy: 2.2396657343511377
Energy: 2.1055031437821468
Energy: 2.14195978789387
Energy: 2.105664353091485
Energy: 2.239665734353622
Energy: 2.10550314377424
Energy: 2.1419597879023184
Energy: 2.047889343193293
Energy: 1.9016948820097987
Energy: 1.999943455096453
Energy: 1.9016627395159993
Energy: 2.047889343204226
Energy: 1.9016948820003563
Energy: 1.999943455093968
Energy: 2.2396331360414363
Energy: 2.105679089057272
Energy: 2.0830023085252054
Energy: 2.1055124562794054
Energy: 2.239633136046903
Energy: 2.10567908906423
Energy: 2.083002308517796
Energy: 2.05887130345601
Energy: 2.0469804312107414
Energy: 2.1301153775781554
Energy: 2.073971476336574
Energy: 2.0588713034579977
Energy: 2.04698043121919
Energy: 2.1301153775806405
Energy: 2.115103638551821
Energy: 2.10585307977284
Energy: 1.956640070293086
Energy: 2.105308117607238
Energy: 2.115103638539894
Energy: 2.105853079787252
Energy: 1.9566400702950735
Energy: 2.0478546151305403
Energy: 2.0452936510073334
Energy: 1.886925261378301
Energy: 2.0785876448127567
Energy: 2.047854615137001
Energy: 2.0452936510113093
Energy: 1.886925261378301
Energy: 2.071063420285271
Energy: 2.1057220302506656
Energy: 1.9230712512061068
Energy: 1.9284633573590175
Energy: 2.071063420293223
Energy: 2.105722030248678
Energy: 1.92307125121704
Energy: 2.0491415345393094
Energy: 2.0735724406429847
Energy: 1.8870422775520035
Energy: 2.073464647203019
Energy: 2.0491415345348365
Energy: 2.073572440644476
Energy: 1.8870422775544884
Energy: 2.07094904901241
Energy: 2.1083774861641924
Energy: 2.1049675108602335
Energy: 2.1082712373265453
Energy: 2.070949049004955
Energy: 2.108377486150322
Energy: 2.104967510855761
Energy: 2.0490707217629334
Energy: 2.073488722730839
Energy: 1.8871738296363703
Energy: 2.0733728009080936
Energy: 2.0490707217723756
Energy: 2.073488722740733
Energy: 1.8871738296388552
Energy: 2.070977477349118
Energy: 1.9284420830784679
Energy: 1.9494629256784817
Energy: 2.1056964085449152
Energy: 2.0709774773570695
Energy: 1.9284420830839344
Energy: 1.949462925675997
Energy: 2.0478983180341856
Energy: 2.075714347863451
Energy: 1.8869397758797202
Energy: 2.045125260811134
Energy: 2.047898318031701
Energy: 2.0757143478555444
Energy: 1.886939775883696
Energy: 2.1157062530741135
Energy: 2.105097708454948
Energy: 2.0232282746479266
Energy: 2.105921596684742
Energy: 2.115706253080077
Energy: 2.105097708454451
Energy: 2.023228274653393
Energy: 2.0480886773750693
Energy: 2.0737531684403905
Energy: 2.130607273453168
Energy: 2.046981168705105
Energy: 2.048088677383021
Energy: 2.073753168436415
Energy: 2.130607273446211
Energy: 2.2396657343521316
Energy: 2.1055031437821468
Energy: 2.049973007690352
Energy: 2.1056643530909884
Energy: 2.239665734356604
Energy: 2.105503143771258
Energy: 2.049973007699794
Energy: 2.0478893431957776
Energy: 1.9016948820122834
Energy: 1.999943455093968
Energy: 1.901662739517987
Energy: 2.0478893432057172
Energy: 1.901694882003835
Energy: 1.9999434550934712
Energy: 2.239633136043424
Energy: 2.1056790890577695
Energy: 2.0163495874303243
Energy: 2.105512456279903
Energy: 2.2396331360464057
Energy: 2.105679089064727
Energy: 2.0163495874502027
Energy: 2.058871303451537
Energy: 2.046980431215214
Energy: 2.1301153775731856
Energy: 2.073971476337568
Energy: 2.0588713034579977
Energy: 2.046980431217699
Energy: 2.1301153775781554
Energy: 2.1151036385528155
Energy: 2.105853079780295
Energy: 1.8743876603300667
Energy: 2.105308117607238
Energy: 2.1151036385443667
Energy: 2.1058530797897372
Energy: 1.8743876603226124
Energy: 2.0478546151305403
Energy: 2.045293651010813
Energy: 1.886925261379792
Energy: 2.0785876448122593
Energy: 2.0478546151389887
Energy: 2.0452936510073334
Energy: 1.886925261378301
Energy: 2.071063420285271
Energy: 2.1057220302511626
Energy: 2.049477216293419
Energy: 1.928463357354048
Energy: 2.0710634202937195
Energy: 2.1057220302496718
Energy: 2.0494772162804975
Energy: 2.049141534538813
Energy: 2.073572440644476
Energy: 1.8870422775505127
Energy: 2.073464647203019
Energy: 2.049141534535334
Energy: 2.073572440649446
Energy: 1.8870422775525004
Energy: 2.0709490490104216
Energy: 2.108377486167174
Energy: 2.0499382454379007
Energy: 2.1082712373255514
Energy: 2.070949049003464
Energy: 2.10837748615231
Energy: 2.049938245452313
Energy: 2.0490707217634303
Energy: 2.073488722734318
Energy: 1.8871738296393523
Energy: 2.0733728009070993
Energy: 2.0490707217713817
Energy: 2.0734887227402363
Energy: 1.887173829642334

minimum gb energy = 1.8743876603226124 eV
minimum distance =  2.24865406642979 Angstroms
sigma value = 21


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

Energy: 2.1704587304536926
Energy: 2.0353750650532367
Energy: 2.085695952357157
Energy: 2.036304046045512
Energy: 2.1704587304542957
Energy: 2.0353750650484104
Energy: 2.08569595235776
Energy: 2.1605905181833904
Energy: 2.0248902134663296
Energy: 1.8284837671713883
Energy: 2.0249706260330367
Energy: 2.160590518176754
Energy: 2.0248902134723625
Energy: 1.8284837671713883
Energy: 2.170393187114579
Energy: 1.9925354882102189
Energy: 1.9295872928009032
Energy: 2.041623880393247
Energy: 2.1703931871139757
Energy: 1.9925354882132353
Energy: 1.9295872928015068
Energy: 2.1683787644017047
Energy: 2.0362452237923434
Energy: 1.9414762250161466
Energy: 2.0250764445872336
Energy: 2.1683787644035144
Energy: 2.03624522379174
Energy: 1.9414762250149402
Energy: 2.0527462064418738
Energy: 1.9411408955137386
Energy: 2.0342197882212543
Energy: 1.9404174122354414
Energy: 2.0527462064478796
Energy: 1.941140895518565
Energy: 2.0342197882224604
Energy: 2.1684220561472407
Energy: 1.9471535747141795
Energy: 2.190696752584191
Energy: 2.025881868609723
Energy: 2.168422056145431
Energy: 1.9471535747099562
Energy: 2.1906967525835874
Energy: 2.1147567452696876
Energy: 1.9408907954104002
Energy: 2.0344005197172996
Energy: 2.0721362594692723
Energy: 2.1147567452684815
Energy: 1.9408907954128134
Energy: 2.0344005197185058
Energy: 2.104484993536795
Energy: 2.0399515088949736
Energy: 2.190774797600067
Energy: 2.0261030679060164
Energy: 2.1044849935361913
Energy: 2.03995150889799
Energy: 2.1907747976048935
Energy: 2.115922949037655
Energy: 2.025449988505366
Energy: 2.013040170736007
Energy: 2.0634782086037706
Energy: 2.115922949037052
Energy: 2.025449988505366
Energy: 2.01304017073661
Energy: 2.114726290211463
Energy: 2.05366461146625
Energy: 1.9152828245805384
Energy: 2.0253362558810597
Energy: 2.114726290214479
Energy: 2.05366461146082
Energy: 1.915282824583555
Energy: 2.200005126193231
Energy: 2.041718678233671
Energy: 2.0911172370291355
Energy: 2.0386746403324767
Energy: 2.2000051261896107
Energy: 2.0417186782372907
Energy: 2.0911172370255158
Energy: 1.9340910747994309
Energy: 2.052473362164841
Energy: 1.9409376170128072
Energy: 1.9377294397640432
Energy: 1.9340910748018438
Energy: 2.0524733621666513
Energy: 1.9409376170146169
Energy: 2.192502890887644
Energy: 2.0401622373088784
Energy: 2.122474561851305
Energy: 2.0237323958042563
Energy: 2.1925028908828175
Energy: 2.040162237312498
Energy: 2.1224745618500984
Energy: 1.9341331274405746
Energy: 2.052921063484879
Energy: 2.0186958756013382
Energy: 1.937942386840351
Energy: 1.9341331274387648
Energy: 2.052921063486086
Energy: 2.018695875602545
Energy: 2.1652471021436868
Energy: 1.9640905258459358
Energy: 1.899661668634489
Energy: 2.024749901130369
Energy: 2.1652471021467035
Energy: 1.964090525844729
Energy: 1.8996616686369023
Energy: 1.9349571932796126
Energy: 2.1096675326515495
Energy: 2.019650835789729
Energy: 2.048400273451879
Energy: 1.9349571932844392
Energy: 2.109667532652756
Energy: 2.0196508357909355
Energy: 2.165166043914026
Energy: 1.9639957034883722
Energy: 2.096792727839202
Energy: 2.024844519039438
Energy: 2.165166043907993
Energy: 1.9639957034901545
Energy: 2.096792727843425
Energy: 1.9348740556592632
Energy: 2.051046832521339
Energy: 2.016058574102462
Energy: 2.199973822074278
Energy: 1.9348740556562467
Energy: 2.0510468325255617
Energy: 2.016058574100652
Energy: 2.1703193532770984
Energy: 1.964282778358541
Energy: 2.088940779018185
Energy: 2.024915039016102
Energy: 2.1703193532752887
Energy: 1.9642827783537147
Energy: 2.088940779019995
Energy: 1.9347200740810848
Energy: 2.141278088527667
Energy: 1.9952232661310814
Energy: 2.141266868996308
Energy: 1.9347200740816881
Energy: 2.1412780885270646
Energy: 1.995223266126255
Energy: 2.1704947443148854
Energy: 2.0247752848969145
Energy: 2.0887294716064355
Energy: 1.964256695950694
Energy: 2.1704947443154885
Energy: 2.0247752848993277
Energy: 2.0887294716094518
Energy: 1.9348657670803622
Energy: 2.1999014514917903
Energy: 2.016092604173857
Energy: 2.050871344094714
Energy: 1.9348657670803622
Energy: 2.199901451494204
Energy: 2.0160926041732536
Energy: 2.165464454624408
Energy: 2.0248906561557627
Energy: 2.141905920144981
Energy: 1.9640408828697857
Energy: 2.1654644546213917
Energy: 2.024890656156366
Energy: 2.1419059201443775
Energy: 1.9347730129990937
Energy: 2.0482439262670424
Energy: 2.0196709778026953
Energy: 2.1112746813253143
Energy: 1.9347730129942673
Energy: 2.048243926268852
Energy: 2.0196709778081248
Energy: 2.1652443214861017
Energy: 2.0248168214897664
Energy: 1.9464481710958126
Energy: 1.964026606375637
Energy: 2.1652443214873083
Energy: 2.0248168214897664
Energy: 1.9464481710958126

minimum gb energy = 1.8284837671713883 eV
minimum distance =  2.28316129237163 Angstroms
sigma value = 113


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

Energy: 1.9533038498267516
Energy: 2.0197687744143726
Energy: 1.9261576980468718
Energy: 2.067884944672068
Energy: 1.9533038498367912
Energy: 2.0197687744312076
Energy: 1.9261576980334036
Energy: 2.1027859298788165
Energy: 2.0266634822171383
Energy: 1.8404620006665053
Energy: 2.012738519525561
Energy: 2.1027859298720823
Energy: 2.0266634822171383
Energy: 1.8404620006732395
Energy: 1.9131893300736433
Energy: 1.9552577471342696
Energy: 1.90949202952015
Energy: 1.9816014555466124
Energy: 1.913189330090478
Energy: 1.9552577471342696
Energy: 1.909492029513416
Energy: 1.924181132030495
Energy: 1.978133175887516
Energy: 1.8546006779565398
Energy: 2.0590636775876696
Energy: 1.924181132023761
Energy: 1.9781331758841487
Energy: 1.854600677959907
Energy: 1.903204879956948
Energy: 1.8709397460512083
Energy: 1.857925712325595
Energy: 1.8664439425193053
Energy: 1.9032048799636818
Energy: 1.8709397460512083
Energy: 1.857925712328962
Energy: 1.8722906251862683
Energy: 1.9067925418100264
Energy: 1.9596571146308521
Energy: 1.9268352056401123
Energy: 1.872290625199675
Energy: 1.9067925418100264
Energy: 1.9596571146274848
Energy: 1.8848987560494308
Energy: 1.8712562092732588
Energy: 1.9504448270653594
Energy: 1.8633944044646342
Energy: 1.8848987560494308
Energy: 1.8712562092665248
Energy: 1.9504448270586254
Energy: 1.8618079708135578
Energy: 1.9202599573689183
Energy: 1.927498576034492
Energy: 1.9404582020238035
Energy: 1.861807970806824
Energy: 1.920259957352083
Energy: 1.9274985760311252
Energy: 1.8703024107587531
Energy: 1.8953380816776935
Energy: 2.001426178970935
Energy: 1.8630718136077447
Energy: 1.87030241076212
Energy: 1.8953380816709597
Energy: 2.00142617898777
Energy: 1.8636943865819076
Energy: 1.9175375883669348
Energy: 1.9616831405972373
Energy: 1.9303399284795797
Energy: 1.8636943865819076
Energy: 1.9175375883602008
Energy: 1.9616831405938702
Energy: 1.8705490124850712
Energy: 1.9258867801096136
Energy: 1.931252873172287
Energy: 1.8825498753286025
Energy: 1.8705490125052733
Energy: 1.9258867801096136
Energy: 1.9312528731790208
Energy: 1.8898574950770812
Energy: 1.9285290845774472
Energy: 1.9318347697605815
Energy: 1.9091522718817502
Energy: 1.889857495070347
Energy: 1.9285290845740803
Energy: 1.9318347697538476
Energy: 1.8702914635999128
Energy: 1.9314469996329784
Energy: 1.901122046613304
Energy: 1.9144159235459501
Energy: 1.87029146360328
Energy: 1.9314469996464463
Energy: 1.901122046586368
Energy: 1.9193659013652213
Energy: 1.9662826596508478
Energy: 1.9359062300398873
Energy: 1.9456652667848637
Energy: 1.919365901361854
Energy: 1.9662826596306457
Energy: 1.935906230029786
Energy: 1.8706134129226923
Energy: 1.9544658544950397
Energy: 1.9813111508076862
Energy: 1.9514494619968148
Energy: 1.8706134129125915
Energy: 1.9544658544883056
Energy: 1.9813111507740777
Energy: 1.9194890945107155
Energy: 1.9290165138801496
Energy: 1.934039687414995
Energy: 1.8973718229554963
Energy: 1.9194890945308558
Energy: 1.9290165138767827
Energy: 1.934039687414995
Energy: 1.9094193536731197
Energy: 1.9312238595177247
Energy: 2.0282223296776087
Energy: 1.8976132555877963
Energy: 1.9094193536764867
Energy: 1.9312238595076234
Energy: 2.0282223296944437
Energy: 1.8873940583462971
Energy: 1.8959969755452988
Energy: 1.9342992855287957
Energy: 1.8755394135937717
Energy: 1.8873940583462971
Energy: 1.8959969755419315
Energy: 1.9342992855422638
Energy: 1.9104406698577598
Energy: 1.8956109330326076
Energy: 1.8762483037424806
Energy: 1.870313033317896
Energy: 1.9104406698577598
Energy: 1.895610933022507
Energy: 1.8762483037424806
Energy: 1.8609802708464276
Energy: 1.9051332832038081
Energy: 1.932482123967644
Energy: 1.893751509155925
Energy: 1.8609802708464276
Energy: 1.9051332832005026
Energy: 1.9324821239811119
Energy: 1.9110996815706243
Energy: 1.8913390563038062
Energy: 1.906559337680093
Energy: 1.872675828280894
Energy: 1.9110996815739913
Energy: 1.8913390563071732
Energy: 1.9065593376633192
Energy: 1.8609702100925232
Energy: 1.8920623204882625
Energy: 1.9346930712633383
Energy: 1.8939153587108244
Energy: 1.8609702100925232
Energy: 1.8920623204882625
Energy: 1.9346930712768062
Energy: 1.9112090435045503
Energy: 1.9549767031488807
Energy: 1.99062698867237
Energy: 1.9061780381436624
Energy: 1.9112090435045503
Energy: 1.9549767031488807
Energy: 1.990626988679104
Energy: 1.8651677314194042
Energy: 1.9242817300704096
Energy: 1.9846735333095615
Energy: 1.8401989710000919
Energy: 1.8651677314261381
Energy: 1.9242817300704096
Energy: 1.9846735333129286
Energy: 1.991371047526028
Energy: 2.0063443988881007
Energy: 1.9171258280501826
Energy: 2.0263070660259714
Energy: 1.9913710475361293
Energy: 2.0063443988948344
Energy: 1.9171258280501826
Energy: 1.900791286470187
Energy: 1.9046636118899865
Energy: 1.9993557243515692
Energy: 1.84288555986891
Energy: 1.9007912864668197
Energy: 1.9046636119169222
Energy: 1.9993557243414684
Energy: 2.1805470789487362
Energy: 2.0061065957695035
Energy: 1.9082327923215767
Energy: 2.0437929414533778
Energy: 2.1805470789453696
Energy: 2.006106595766136
Energy: 1.9082327923316778
Energy: 1.9476842969142083
Energy: 1.9257213201644332
Energy: 2.0104858255621454
Energy: 1.982236609672851
Energy: 1.9476842969074741
Energy: 1.9257213201711672
Energy: 2.0104858255386375
Energy: 2.180538235297204
Energy: 2.006156249756346
Energy: 1.8650451109660902
Energy: 2.0491492336807156
Energy: 2.1805382353005704
Energy: 2.006156249742878
Energy: 1.8650451109694572
Energy: 1.900981463540567
Energy: 1.9027811045666172
Energy: 2.0063026975249802
Energy: 1.8417168756820794
Energy: 1.9009814635439342
Energy: 1.9027811045699843
Energy: 2.006302697531714
Energy: 1.9916858021577521
Energy: 2.0114399204356435
Energy: 1.9542937789871344
Energy: 2.0260187670705827
Energy: 1.9916858021543848
Energy: 2.0114399204524784
Energy: 1.9542937789837673
Energy: 1.9256985325913423
Energy: 1.877957595238208
Energy: 1.9069238579450485
Energy: 1.888139626098255
Energy: 1.925698532584608
Energy: 1.877957595244942
Energy: 1.9069238579450485
Energy: 1.9443509200103044
Energy: 1.9932360315587532
Energy: 1.9653105267504922
Energy: 1.896444776048159
Energy: 1.9443509200271394
Energy: 1.993236031575588
Energy: 1.965310526737024
Energy: 1.9395593516177543
Energy: 1.873982529742618
Energy: 1.9709576042200048
Energy: 1.9075362679144678
Energy: 1.9395593516042862
Energy: 1.87398252972915
Energy: 1.970957604213271
Energy: 1.941771081140771
Energy: 1.8808824154338528
Energy: 1.9342987234843176
Energy: 1.9040942321971246
Energy: 1.941771081147505
Energy: 1.8808824154237516
Energy: 1.934298723477584
Energy: 1.943464954483763
Energy: 1.8925695779809066
Energy: 1.9820820841805384
Energy: 1.9249457295992616
Energy: 1.943464954477029
Energy: 1.8925695779876406
Energy: 1.9820820841670708
Energy: 1.941543698077486
Energy: 1.957396963427581
Energy: 1.9640172733621821
Energy: 1.8980018698375751
Energy: 1.9415436980673852
Energy: 1.9573969634073791
Energy: 1.9640172733554482
Energy: 1.9417482015968062
Energy: 1.8906025488341143
Energy: 1.9394082763795923
Energy: 1.9070485294214259
Energy: 1.9417482015968062
Energy: 1.8906025488341143
Energy: 1.9394082763795923
Energy: 2.0007958173272526
Energy: 1.956114848426633
Energy: 1.9725724882525209
Energy: 1.8901744783767347
Energy: 2.000795817320519
Energy: 1.9561148484232662
Energy: 1.9725724882525209
Energy: 1.9422393223542844
Energy: 1.9134517957392359
Energy: 1.9324941850866835
Energy: 1.8814636993270255
Energy: 1.9422393223711196
Energy: 1.9134517957560708
Energy: 1.9324941850833162
Energy: 2.0199762148343607
Energy: 1.890748448314315
Energy: 1.9985421804796337
Energy: 1.8906268438444156
Energy: 2.0199762148276266
Energy: 1.890748448314315
Energy: 1.9985421804627987
Energy: 1.9422985937127668
Energy: 1.855327741612058
Energy: 1.9335927940222721
Energy: 1.8997675765444715
Energy: 1.9422985937060329
Energy: 1.8553277416187919
Energy: 1.9335927940189055
Energy: 1.9706788111876001
Energy: 1.8915325107735919
Energy: 1.925575426216745
Energy: 1.9131940285442581
Energy: 1.970678811197701
Energy: 1.8915325107702252
Energy: 1.925575426213378
Energy: 1.9367425737541577
Energy: 1.9193224614264792
Energy: 1.949522338618495
Energy: 1.8968645268403759
Energy: 1.9367425737642585
Energy: 1.9193224614264792
Energy: 1.949522338608394
Energy: 1.8871290050807554
Energy: 1.8941297839955735
Energy: 1.9266165751457598
Energy: 1.896719466284701
Energy: 1.8871290050874892
Energy: 1.8941297839854727
Energy: 1.9266165751390258

minimum gb energy = 1.8401989710000919 eV
minimum distance =  2.23463100911117 Angstroms
sigma value = 365


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

Energy: 1.795221305826734
Energy: 1.5431028757612846
Energy: 2.3921087792044045
Energy: 1.5431028757620435
Energy: 1.7952213058199018
Energy: 1.5431028757620435
Energy: 2.3921087792044045
Energy: 1.7952213058244566
Energy: 1.5431028757635619
Energy: 2.447097537123616
Energy: 1.5431028757605252
Energy: 1.7952213058244566
Energy: 1.5431028757665983
Energy: 2.447097537123616
Energy: 1.795221305827493
Energy: 1.5431028757635619
Energy: 1.8787260100727279
Energy: 1.5431028757673575
Energy: 1.795221305827493
Energy: 1.5431028757605252
Energy: 1.8787260100825967
Energy: 1.7952213058252158
Energy: 1.5431028757620435
Energy: 1.888286967611528
Energy: 1.5431028757612846
Energy: 1.7952213058206608
Energy: 1.5431028757628025
Energy: 1.888286967598623
Energy: 1.795221305822938
Energy: 1.5431028757628025
Energy: 1.91698670340041
Energy: 1.5431028757597662
Energy: 1.795221305826734
Energy: 1.5431028757673575
Energy: 1.9169867035225607
Energy: 1.7952213058236974
Energy: 1.5431028757650798
Energy: 2.257893248318221
Energy: 1.5431028757681167
Energy: 1.795221305826734
Energy: 1.5431028757605252
Energy: 2.257893248318221
Energy: 1.7952213058290114
Energy: 1.5431028757620435
Energy: 2.21742497930899
Energy: 1.5431028757620435
Energy: 1.7952213058252158
Energy: 1.5431028757612846
Energy: 2.2174249793044356
Energy: 1.7952213058252158
Energy: 1.5431028757635619
Energy: 1.7570532650654171
Energy: 1.5431028757597662
Energy: 1.7952213058244566
Energy: 1.5431028757681167
Energy: 1.7570532651397774
Energy: 1.7952213058236974
Energy: 1.5431028757635619
Energy: 1.6208988174623313
Energy: 1.5431028757681167
Energy: 1.795221305826734
Energy: 1.5431028757597662
Energy: 1.6208988174638495
Energy: 1.7952213058282522
Energy: 1.5431028757620435
Energy: 1.623977897682961
Energy: 1.5431028757628025
Energy: 1.7952213058236974
Energy: 1.5431028757628025
Energy: 1.62397789768372
Energy: 1.795221305822179
Energy: 1.5431028757620435
Energy: 1.9556054917837484
Energy: 1.5431028757597662
Energy: 1.7952213058297706
Energy: 1.5431028757681167
Energy: 1.9556054917807115
Energy: 1.7952213058252158
Energy: 1.5431028757658392
Energy: 1.9321990038003005
Energy: 1.5431028757688754
Energy: 1.795221305826734
Energy: 1.5431028757612846
Energy: 1.9321990038018184
Energy: 1.7952213058290114
Energy: 1.5431028757620435
Energy: 1.9376048237433636
Energy: 1.5431028757612846
Energy: 1.7952213058236974
Energy: 1.5431028757620435
Energy: 1.9376048237403272
Energy: 1.795221305826734
Energy: 1.5431028757635619
Energy: 1.794529363473694
Energy: 1.5431028757597662
Energy: 1.7952213058252158
Energy: 1.5431028757688754
Energy: 1.7945293634714168
Energy: 1.7952213058236974
Energy: 1.5431028757650798
Energy: 1.7945293634683803
Energy: 1.5431028757688754
Energy: 1.7952213058259747
Energy: 1.5431028757605252
Energy: 1.7945293634698982
Energy: 1.7952213058320479
Energy: 1.5431028757612846
Energy: 1.7945293634714168
Energy: 1.5431028757628025
Energy: 1.795221305822179
Energy: 1.5431028757620435
Energy: 1.7945293634706576
Energy: 1.795221305826734
Energy: 1.5431028757628025
Energy: 1.794529363472935
Energy: 1.5431028757605252
Energy: 1.7952213058236974
Energy: 1.5431028757681167
Energy: 1.7945293634698982
Energy: 1.7952213058252158
Energy: 1.5431028757658392
Energy: 1.794529363467621
Energy: 1.5431028757673575
Energy: 1.7952213058297706
Energy: 1.5431028757597662
Energy: 1.7945293634698982
Energy: 1.7952213058297706
Energy: 1.5431028757612846
Energy: 1.7945293634721755
Energy: 1.5431028757612846
Energy: 1.7952213058214201
Energy: 1.5431028757612846
Energy: 1.7945293634698982
Energy: 1.7952213058259747
Energy: 1.5431028757635619
Energy: 1.794529363473694
Energy: 1.5431028757597662
Energy: 1.795221305826734
Energy: 1.5431028757688754
Energy: 1.7945293634714168

minimum gb energy = 1.5431028757597662 eV
minimum distance =  2.35382223684532 Angstroms
sigma value = 23