Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053436756135
cohesive_energy=3.930314120603696
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.7505046928868197e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75272444896358e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.1952926625592618e-18, -1.72852428335724e-18, -2.4493275292274997e-18]
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: 0.011899075649286163
Energy: 0.06488147346883828
Energy: 0.429828238564934
Energy: 0.012900853546526576
Energy: 0.06488147346402387
Energy: 0.4427918264377047
Energy: 0.06488147346883828
Energy: 0.4427918264367473
Energy: 0.429828238564934
Energy: 0.06488147346451625
Energy: 0.011899075649286163
Energy: 0.06488147346643108
Energy: 0.012900853546526576
Energy: 0.44279182644011195
Energy: 0.06488147346260144
Energy: 0.44279182644011195

minimum gb energy = 0.011899075649286163 eV
minimum distance =  2.79734616254142 Angstroms
sigma value = 1


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

Energy: 0.8224830171354655
Energy: 0.58076873306004
Energy: 0.5811585959381655
Energy: 0.544244879936352
Energy: 0.5497389848933759
Energy: 0.5903163956632168
Energy: 0.5481839597073165
Energy: 0.5903163956620225
Energy: 0.581246336511475
Energy: 0.5806537822993412
Energy: 0.8962745967956852
Energy: 0.5806537822999384
Energy: 0.5501638157668263
Energy: 0.5498255008970075
Energy: 0.5482509003623887
Energy: 0.5498255008958133
Energy: 0.7639175314513692
Energy: 0.5475455514610337
Energy: 0.5496639664213518
Energy: 0.547545551462228
Energy: 0.5715672160969976
Energy: 0.5716252143593759
Energy: 0.5487724923195555
Energy: 0.5716252143593759
Energy: 0.5726781368566192
Energy: 0.5709063184788447
Energy: 0.5705092862901727
Energy: 0.5709063184788447
Energy: 0.5740952565767423
Energy: 0.5792430962648657
Energy: 0.5926700567061942
Energy: 0.5792430962648657
Energy: 0.5811246588978515
Energy: 0.5766299636437302
Energy: 0.5816499387583571
Energy: 0.5766299636431331
Energy: 0.5892033322638857
Energy: 0.5787886565094614
Energy: 0.5826490460441878
Energy: 0.5787886565100585
Energy: 0.5801331669843882
Energy: 0.5765150267069662
Energy: 0.5814831453474586
Energy: 0.576515026706369
Energy: 0.5763048491431476
Energy: 0.5753582381591009
Energy: 0.5910663006935774
Energy: 0.5753582381585038
Energy: 0.58341854276768
Energy: 0.5703409273303771
Energy: 0.5554684335137877
Energy: 0.5703409273297798
Energy: 0.5719397749469868
Energy: 0.5710376731854776
Energy: 0.5724763390427777
Energy: 0.5710376731842832
Energy: 0.5555631661201115
Energy: 0.547641945256208
Energy: 0.5483722179727936
Energy: 0.5476419452556109
Energy: 0.5614941883455831
Energy: 0.5503491935660727
Energy: 0.5491086524495488
Energy: 0.550349193567267
Energy: 0.5809572928924874
Energy: 0.5807240210232553
Energy: 0.5404763129092107
Energy: 0.5807240210232553
Energy: 0.5480132944581302
Energy: 0.5480240681536753
Energy: 0.5545067133869294
Energy: 0.5480240681536753
Energy: 0.5486790284547416
Energy: 0.5804356747934176
Energy: 0.5817504562714603
Energy: 0.5804356747934176
Energy: 0.5714909815690178
Energy: 0.5498729545178695
Energy: 0.5496928677694453
Energy: 0.5498729545184667
Energy: 0.5503507045351915
Energy: 0.5492554880683566
Energy: 0.5698547881270525
Energy: 0.5492554880677594
Energy: 0.5489089352508206
Energy: 0.5488670639919971
Energy: 0.5712384633550537
Energy: 0.5488670639914
Energy: 0.5697661269155996
Energy: 0.5710905324059722
Energy: 0.5710854892260744
Energy: 0.5710905324059722
Energy: 0.5869561499493335
Energy: 0.5742219344519377
Energy: 0.5720559828823913
Energy: 0.574221934452535
Energy: 0.5818350431637256
Energy: 0.5768309571283207
Energy: 0.6570340353406386
Energy: 0.5768309571295149
Energy: 0.5826676968440911
Energy: 0.5748607078683889
Energy: 0.5900513262534672
Energy: 0.5748607078695832
Energy: 0.581710093494531
Energy: 0.576522570125219
Energy: 0.5799682129749328
Energy: 0.576522570125219
Energy: 0.5915508263818067
Energy: 0.5752349046444459
Energy: 0.5715613184777352
Energy: 0.5752349046438486
Energy: 0.5554712691089745
Energy: 0.570399519201586
Energy: 0.5838184749978629
Energy: 0.5703995192021832
Energy: 0.5725209474126208
Energy: 0.5720409031894399
Energy: 0.5728933489203873
Energy: 0.5720409031894399
Energy: 0.5478877115312202
Energy: 0.5477332586107513
Energy: 0.5544156676952213
Energy: 0.5477332586113485
Energy: 0.5489711056548806
Energy: 0.5477946522861186
Energy: 0.5615911925209353
Energy: 0.5477946522867156
Energy: 0.5408715853096958
Energy: 0.5491974545179408
Energy: 0.5815571142317171
Energy: 0.549197454518538

minimum gb energy = 0.5404763129092107 eV
minimum distance =  2.55008165023033 Angstroms
sigma value = 1


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

Energy: 0.9391156356087603
Energy: 0.6082843838806998
Energy: 0.6080555341842531
Energy: 0.5663331521481613
Energy: 0.5740348710989572
Energy: 0.6153718430415615
Energy: 0.5744201517104647
Energy: 0.6153718430395189
Energy: 0.6074629956593995
Energy: 0.6084525634534182
Energy: 0.573793972945914
Energy: 0.6084525634554608
Energy: 0.5753666019856711
Energy: 0.5738462592335536
Energy: 0.5742313149365758
Energy: 0.5738462592349152
Energy: 0.5743684223958995
Energy: 0.5734962291423557
Energy: 0.5741723224529577
Energy: 0.5734962291457599
Energy: 0.6003668829086924
Energy: 0.6407633036503068
Energy: 0.5742682359872449
Energy: 0.640763303648945
Energy: 0.6016569870016928
Energy: 0.6023129879654252
Energy: 0.5998195447577441
Energy: 0.6023129879674679
Energy: 0.6016600634549005
Energy: 0.6191939643536318
Energy: 0.621442374705351
Energy: 0.6191939643509085
Energy: 0.6013639830753242
Energy: 0.6075941599583319
Energy: 0.6087834141503194
Energy: 0.6075941599610553
Energy: 0.6200163949217163
Energy: 0.6083772664454492
Energy: 0.6038328340517173
Energy: 0.6083772664488535
Energy: 0.5853992572372279
Energy: 0.6016738692006496
Energy: 0.6211773919481871
Energy: 0.601673869197926
Energy: 0.5846578386014107
Energy: 0.6044004803451193
Energy: 0.6008461448349961
Energy: 0.6044004803396723
Energy: 0.5743485165396806
Energy: 0.5735507883384907
Energy: 0.5841168334852996
Energy: 0.5735507883350864
Energy: 0.5740829980512975
Energy: 0.5736316589162918
Energy: 0.5634378994034698
Energy: 0.5736316589162918
Energy: 0.5624239944809386
Energy: 0.6080506109779834
Energy: 0.6074992088829599
Energy: 0.6080506109827494
Energy: 0.58359044638573
Energy: 0.5735766975244762
Energy: 0.5741870622565916
Energy: 0.5735766975197101
Energy: 0.6092987738271647
Energy: 0.6083212132330645
Energy: 0.5746954131572399
Energy: 0.6083212132282985
Energy: 0.5751952468692878
Energy: 0.5735953826254948
Energy: 0.6005434999409681
Energy: 0.5735953826234523
Energy: 0.5745340605089181
Energy: 0.5756940779968358
Energy: 0.5765264694179552
Energy: 0.5756940779968358
Energy: 0.6006240435140796
Energy: 0.5735706255975946
Energy: 0.5739054650732053
Energy: 0.5735706255948714
Energy: 0.6011725689892556
Energy: 0.618781251197664
Energy: 0.6000915915668645
Energy: 0.6187812511969831
Energy: 0.6001773537652157
Energy: 0.6057461489321961
Energy: 0.6157315713730461
Energy: 0.605746148937643
Energy: 0.6010951136453421
Energy: 0.6077484302011097
Energy: 0.6083293735770418
Energy: 0.6077484301997479
Energy: 0.61921780061424
Energy: 0.6076161013729071
Energy: 0.6010368984777498
Energy: 0.6076161013708644
Energy: 0.5848094333228624
Energy: 0.6017006089521824
Energy: 0.6217185647750505
Energy: 0.601700608953544
Energy: 0.5841658875412574
Energy: 0.6030939004546659
Energy: 0.6026414398798795
Energy: 0.6030939004512617
Energy: 0.573794562913375
Energy: 0.5735982948677225
Energy: 0.5833045660896757
Energy: 0.5735982948636373
Energy: 0.5741995229580443
Energy: 0.5737020260144654
Energy: 0.5633493204691492
Energy: 0.5737020260090187
Energy: 0.5623990133993103
Energy: 0.5753199928268632
Energy: 0.6081604314820427
Energy: 0.575319992827544

minimum gb energy = 0.5623990133993103 eV
minimum distance =  2.54883833263234 Angstroms
sigma value = 25


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

Energy: 0.8954813998651757
Energy: 0.6380808997033269
Energy: 0.6383100843859838
Energy: 0.589142165957845
Energy: 0.6027831576551509
Energy: 0.6419776761411312
Energy: 0.6029692211167559
Energy: 0.6419776761411312
Energy: 0.6378116530486557
Energy: 0.6381555876838757
Energy: 0.6021129482812376
Energy: 0.6381555876830841
Energy: 0.6049001037687693
Energy: 0.6022025735958287
Energy: 0.6028222877888367
Energy: 0.6022025735855394
Energy: 0.6025659729309906
Energy: 0.6018897564981572
Energy: 0.602726089308855
Energy: 0.6018897564973659
Energy: 0.628650631562066
Energy: 0.6616602937425826
Energy: 0.6034334121373142
Energy: 0.6616602937409995
Energy: 0.6319762599121995
Energy: 0.6496095890661077
Energy: 0.6274539860233946
Energy: 0.6496095890653162
Energy: 0.628471954485051
Energy: 0.6433236938509553
Energy: 0.6214104610930535
Energy: 0.6433236938525384
Energy: 0.6300422303142176
Energy: 0.6483804530256548
Energy: 0.6196410519994546
Energy: 0.6483804530256548
Energy: 0.6285950877295391
Energy: 0.6469516386237485
Energy: 0.6025218804150663
Energy: 0.6469516386245399
Energy: 0.5848242277720805
Energy: 0.6021095859409351
Energy: 0.6012111479075727
Energy: 0.6021095859409351
Energy: 0.5848477884788459
Energy: 0.6022828314293924
Energy: 0.6025291166911589
Energy: 0.6022828314286011
Energy: 0.6373519192360062
Energy: 0.6386878274600803
Energy: 0.5844172492369144
Energy: 0.6386878274616633
Energy: 0.6026784038390106
Energy: 0.6022299394890894
Energy: 0.6192144478735121
Energy: 0.6022299394859235
Energy: 0.6021078412647224
Energy: 0.6388837667490906
Energy: 0.64030325758724
Energy: 0.6388837667490906
Energy: 0.62867274843269
Energy: 0.6025523304289628
Energy: 0.6045519741328143
Energy: 0.6025523304281714
Energy: 0.6055354975751152
Energy: 0.6049106591205079
Energy: 0.602943058820722
Energy: 0.6049106591102187
Energy: 0.6031035793165075
Energy: 0.6022233143424036
Energy: 0.6294530805762485
Energy: 0.6022233143416121
Energy: 0.6267021964899772
Energy: 0.6529258652151172
Energy: 0.6304820838751685
Energy: 0.6529258652159087
Energy: 0.6224558745109008
Energy: 0.6466883706385804
Energy: 0.6294620493316928
Energy: 0.6466883706377891
Energy: 0.6185394250814812
Energy: 0.6482526844491758
Energy: 0.6285662213095897
Energy: 0.6482526844491758
Energy: 0.6190998698987339
Energy: 0.6481964521043065
Energy: 0.62873704567342
Energy: 0.648196452103515
Energy: 0.6007401866863499
Energy: 0.6022037319731123
Energy: 0.5846126308797961
Energy: 0.6022037319731123
Energy: 0.602673056104086
Energy: 0.6022589174712694
Energy: 0.5847733610994436
Energy: 0.6022589174704779
Energy: 0.5841934390294002
Energy: 0.6044444152075472
Energy: 0.639035850343899
Energy: 0.6044444152083387

minimum gb energy = 0.5841934390294002 eV
minimum distance =  2.54203878611291 Angstroms
sigma value = 9


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

Energy: 0.8296855921672979
Energy: 0.668820823126866
Energy: 0.6694310460697362
Energy: 0.6102301132785444
Energy: 0.6369878099154327
Energy: 0.6673119146484363
Energy: 0.6369329686210915
Energy: 0.6673119146484363
Energy: 0.6688284936094967
Energy: 0.6686315706881313
Energy: 0.6669344473435209
Energy: 0.6686315706881313
Energy: 0.634308496086621
Energy: 0.6372303793957984
Energy: 0.6364658116585424
Energy: 0.6372303793967427
Energy: 0.63398162467819
Energy: 0.637594843167821
Energy: 0.6355369261344316
Energy: 0.6375948431668768
Energy: 0.6352895148706469
Energy: 0.6976256646689107
Energy: 0.6383038418109386
Energy: 0.6976256646698549
Energy: 0.6619084274879032
Energy: 0.6910369560615827
Energy: 0.6365988366973163
Energy: 0.6910369560606384
Energy: 0.6372436161216437
Energy: 0.6922241817294394
Energy: 0.6390571681533782
Energy: 0.6922241817313278
Energy: 0.6350037237453032
Energy: 0.6375459551822419
Energy: 0.6047133251692424
Energy: 0.637545955183186
Energy: 0.6366305288458908
Energy: 0.6368873607365653
Energy: 0.6042762569397281
Energy: 0.6368873607346769
Energy: 0.6033584544031464
Energy: 0.6689796395400484
Energy: 0.6681414788914206
Energy: 0.6689796395419367
Energy: 0.6600718052524426
Energy: 0.6366872093502248
Energy: 0.6370535888346432
Energy: 0.6366872093747736
Energy: 0.669663607743147
Energy: 0.6689262156871018
Energy: 0.6670045943431986
Energy: 0.6689262156880461
Energy: 0.6338535565132547
Energy: 0.6366837990117741
Energy: 0.6319909264990223
Energy: 0.6366837990127182
Energy: 0.6339850622451592
Energy: 0.635263361311157
Energy: 0.6377004928996957
Energy: 0.6352633613139896
Energy: 0.6353930276711843
Energy: 0.638032463396765
Energy: 0.6367078652837372
Energy: 0.638032463396765
Energy: 0.6604395361403097
Energy: 0.6936898663082698
Energy: 0.6364108931596701
Energy: 0.6936898663073255
Energy: 0.6592512151486749
Energy: 0.6921534155901178
Energy: 0.6376542729358192
Energy: 0.6921534155910619
Energy: 0.6348066162022051
Energy: 0.6376965151322477
Energy: 0.604129970424897
Energy: 0.6376965151331918
Energy: 0.6365066285407278
Energy: 0.6372167687406618
Energy: 0.6040978986693851
Energy: 0.6372167687425502
Energy: 0.603218488273666
Energy: 0.6344049764552822
Energy: 0.6694092721253578
Energy: 0.6344049764571705

minimum gb energy = 0.603218488273666 eV
minimum distance =  2.55762911376998 Angstroms
sigma value = 25


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

Energy: 0.7382370192802372
Energy: 0.7020510415387151
Energy: 0.7030157879409319
Energy: 0.6310540545365845
Energy: 0.6425980110535472
Energy: 0.6715638091484334
Energy: 0.6415414239050332
Energy: 0.671563809149601
Energy: 0.701973575087006
Energy: 0.7019543213300748
Energy: 0.6996080468295856
Energy: 0.7019543213300748
Energy: 0.6275634759200792
Energy: 0.6720164695787848
Energy: 0.6421691614767325
Energy: 0.6720164695787848
Energy: 0.6393357884250815
Energy: 0.691912615276172
Energy: 0.6442090448063225
Energy: 0.6919126152773396
Energy: 0.6266542005869701
Energy: 0.6958745263251591
Energy: 0.6412192970519246
Energy: 0.6958745263251591
Energy: 0.6240309696536568
Energy: 0.6913105728357138
Energy: 0.6421953955878072
Energy: 0.6913105728357138
Energy: 0.6236369328771659
Energy: 0.6898989586194494
Energy: 0.6439353186333512
Energy: 0.6898989586194494
Energy: 0.7012512321213246
Energy: 0.702361066845445
Energy: 0.7705005673936122
Energy: 0.7023610668442773
Energy: 0.643696326484178
Energy: 0.6909720381872458
Energy: 0.6237983584194975
Energy: 0.6909720381872458
Energy: 0.6994458958640716
Energy: 0.70234154766321
Energy: 0.7070921443643373
Energy: 0.7023415476643777
Energy: 0.6252894473093982
Energy: 0.673306878369978
Energy: 0.714409427340146
Energy: 0.673306878369978
Energy: 0.6416947532107098
Energy: 0.695052964985909
Energy: 0.638996638145642
Energy: 0.6950529649847413
Energy: 0.643491934454483
Energy: 0.691338104689301
Energy: 0.6282888391558626
Energy: 0.6913381046904686
Energy: 0.6808315111005737
Energy: 0.6902002660419235
Energy: 0.6236258814773008
Energy: 0.6902002660419235
Energy: 0.6417992491437489
Energy: 0.6906344569825711
Energy: 0.6237355451495226
Energy: 0.6906344569837388
Energy: 0.7002860156117241
Energy: 0.6283743733553674
Energy: 0.7034774296896836
Energy: 0.6283743733553674

minimum gb energy = 0.6236258814773008 eV
minimum distance =  2.61877439267246 Angstroms
sigma value = 17


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

Energy: 1.0296273046612392
Energy: 0.7686112780800718
Energy: 0.7664206682041163
Energy: 0.723662717193719
Energy: 0.6732087275744683
Energy: 0.6845015134210068
Energy: 0.6826223868444338
Energy: 0.6845015134196842
Energy: 0.6844317457096001
Energy: 0.6823664604071188
Energy: 0.7195711459958627
Energy: 0.68236646040778
Energy: 0.681629228675431
Energy: 0.70844815241949
Energy: 0.6818920625229243
Energy: 0.7084481524201512
Energy: 0.6836348447100641
Energy: 0.7365885538749636
Energy: 0.6426196261651962
Energy: 0.7365885538743023
Energy: 0.6834763363014813
Energy: 0.7322474594186065
Energy: 0.6832848940261256
Energy: 0.7322474594186065
Energy: 0.7175412143095737
Energy: 0.6819752407789094
Energy: 0.6814031533683969
Energy: 0.6819752407802321
Energy: 0.7238870072359211
Energy: 0.6828791938152133
Energy: 0.6574176816883132
Energy: 0.6828791938158746
Energy: 0.7705413831564881
Energy: 0.767836677777227
Energy: 0.7202097404507426
Energy: 0.767836677777227
Energy: 0.7762415657154622
Energy: 0.7218281644228448
Energy: 0.6830501468101803
Energy: 0.7218281644235061
Energy: 0.6817679840519979
Energy: 0.6575957385039592
Energy: 0.6544184268775005
Energy: 0.6575957385039592
Energy: 0.7216235121999496
Energy: 0.6745246718996701
Energy: 0.6583362597748728
Energy: 0.6745246718983475
Energy: 0.7203069722549682
Energy: 0.6759217071041238
Energy: 0.6747185043550289
Energy: 0.675921707104785
Energy: 0.7193511664417921
Energy: 0.6755973382129579
Energy: 0.6550858702965587
Energy: 0.6755973382136191
Energy: 0.77157184202159
Energy: 0.7228753639270155
Energy: 0.7238480763773558
Energy: 0.7228753639283382
Energy: 0.7672425834848391
Energy: 0.7232634433235535
Energy: 0.7242516520796872
Energy: 0.7232634433228923
Energy: 0.7235889673840428
Energy: 0.682487301675066
Energy: 0.6821339141135155
Energy: 0.682487301675066
Energy: 0.7238641785539119
Energy: 0.6823660073437688
Energy: 0.6808233235204572
Energy: 0.6823660073444301
Energy: 0.6867693859159177
Energy: 0.7359392615045297
Energy: 0.6839136043191665
Energy: 0.7359392615045297
Energy: 0.705576606433007
Energy: 0.7351309811686455
Energy: 0.6838707495033696
Energy: 0.7351309811693068
Energy: 0.6831896920222931
Energy: 0.6842637313554383
Energy: 0.7221047483331384
Energy: 0.6842637313560995
Energy: 0.6825957624563034
Energy: 0.6826621600414114
Energy: 0.718527550299725
Energy: 0.6826621600374436
Energy: 0.6822942437921176
Energy: 0.7230292965883407
Energy: 0.6828510955653652
Energy: 0.7230292965870182
Energy: 0.7265887707455653
Energy: 0.7678463129169731
Energy: 0.7671279364184077
Energy: 0.7678463129163118
Energy: 0.6579629007906627
Energy: 0.6755238733252629
Energy: 0.7228606858243153
Energy: 0.6755238733252629
Energy: 0.6576663194257855
Energy: 0.6748301481303515
Energy: 0.6818991211347967
Energy: 0.6748301481303515
Energy: 0.6534472762362015
Energy: 0.66031250314878
Energy: 0.7221029268748866
Energy: 0.66031250314878
Energy: 0.6582486829535455
Energy: 0.674258007705059
Energy: 0.7194649803298448
Energy: 0.6742580077043977
Energy: 0.6586449762568377
Energy: 0.6759751700507337
Energy: 0.7186545074992522
Energy: 0.6759751700513951
Energy: 0.7197839908581705
Energy: 0.7686502568038027
Energy: 0.7655700785244804
Energy: 0.7686502568038027

minimum gb energy = 0.6426196261651962 eV
minimum distance =  2.60862420035078 Angstroms
sigma value = 53


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

Energy: 0.9314228080822173
Energy: 0.7153064660228672
Energy: 0.7163871640509744
Energy: 0.6164404499680973
Energy: 0.7228338052786384
Energy: 0.6485380630997716
Energy: 0.7142296135417241
Energy: 0.6485380630997716
Energy: 0.7147473032106492
Energy: 0.7153934757650217
Energy: 0.7297133373176586
Energy: 0.7153934757634992
Energy: 0.7178404689650535
Energy: 0.649045041486862
Energy: 0.7226532557304192
Energy: 0.6490450414838518
Energy: 0.7166349780885659
Energy: 0.6489860996602843
Energy: 0.6128682555004596
Energy: 0.6489860996739862
Energy: 0.7274276280200294
Energy: 0.6500994814825252
Energy: 0.6175751838868446
Energy: 0.6500994814840477
Energy: 0.823315674132374
Energy: 0.7154747572177356
Energy: 0.7137512111228708
Energy: 0.715474757219258
Energy: 0.8065875461391632
Energy: 0.6494208110230161
Energy: 0.723937911521241
Energy: 0.6494208110214936
Energy: 0.7152384088607383
Energy: 0.7152649356335574
Energy: 0.7305977942685686
Energy: 0.7152649356335574
Energy: 0.7207405904272837
Energy: 0.6495866976110645
Energy: 0.7277210795666886
Energy: 0.6495866976110645
Energy: 0.7147366071267555
Energy: 0.6522331884744162
Energy: 0.6201587718026446
Energy: 0.6522331884744162
Energy: 0.7266767030573275
Energy: 0.6485184213320357
Energy: 0.6087950473028706
Energy: 0.6485184213305133
Energy: 0.8066998543725391
Energy: 0.6499755094064471
Energy: 0.7230461152127883
Energy: 0.6499755094110145

minimum gb energy = 0.6087950473028706 eV
minimum distance =  2.60833974638428 Angstroms
sigma value = 9


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

Energy: 0.9078560811563412
Energy: 0.798727236179377
Energy: 0.7997090729559334
Energy: 0.7464416895021667
Energy: 0.6689195598156422
Energy: 0.6683622891486048
Energy: 0.8044261973750704
Energy: 0.6683622891486048
Energy: 0.6724102320416897
Energy: 0.6695085968166324
Energy: 0.7958246299925562
Energy: 0.6695085968171959
Energy: 0.6697617750330261
Energy: 0.6690968196533725
Energy: 0.8543533011015417
Energy: 0.669096819652809
Energy: 0.6676056143443919
Energy: 0.667253187017446
Energy: 0.8593923120234765
Energy: 0.667253187017446
Energy: 0.6677222938745848
Energy: 0.6667505846438401
Energy: 0.8565894282897635
Energy: 0.6667505846438401
Energy: 0.8021772046637234
Energy: 0.7956855006915097
Energy: 0.8058094049512455
Energy: 0.7956855006909462
Energy: 0.8026600161291481
Energy: 0.7338602215500077
Energy: 0.795322039837983
Energy: 0.7338602215500077
Energy: 0.7034652583930103
Energy: 0.7434493589961223
Energy: 0.7206915576407933
Energy: 0.7434493589972493
Energy: 0.6678007881453635
Energy: 0.7334583424156242
Energy: 0.7974696114030204
Energy: 0.7334583424156242
Energy: 0.70261368077183
Energy: 0.7042071242931981
Energy: 0.7583297897001829
Energy: 0.7042071242920711
Energy: 0.7095042731184661
Energy: 0.7477349803071399
Energy: 0.849679095868771
Energy: 0.747734980309394
Energy: 0.8038584395927809
Energy: 0.7034536558077863
Energy: 0.7130730665515026
Energy: 0.7034536558060959
Energy: 0.8028869468750579
Energy: 0.7035499188800599
Energy: 0.70234591195841
Energy: 0.7035499188806233
Energy: 0.7946087135369232
Energy: 0.6983075641480179
Energy: 0.7085316490496099
Energy: 0.6983075641491449
Energy: 0.7391276992900859
Energy: 0.7438352460550685
Energy: 0.7093231996045617
Energy: 0.7438352460545049
Energy: 0.7965344511867278
Energy: 0.6682324937069307
Energy: 0.7042543176935973
Energy: 0.6682324937063673
Energy: 0.7985007092802461
Energy: 0.7986797993704379
Energy: 0.8518274445133707
Energy: 0.7986797993715649
Energy: 0.8051175997738481
Energy: 0.6687481542955303
Energy: 0.7052596654221821
Energy: 0.6687481542960938
Energy: 0.8440342589135632
Energy: 0.6705443204114273
Energy: 0.6722434117375563
Energy: 0.6705443204119906
Energy: 0.8071021773943713
Energy: 0.6684180185839208
Energy: 0.6689602278388551
Energy: 0.6684180185833574
Energy: 0.8569471691055313
Energy: 0.6669018474147594
Energy: 0.6670578034050106
Energy: 0.666901847414196
Energy: 0.8587771951823884
Energy: 0.6673606390511149
Energy: 0.6677102351471326
Energy: 0.6673606390522419
Energy: 0.8068593047781549
Energy: 0.7963683170908982
Energy: 0.8026298292348949
Energy: 0.7963683170903346
Energy: 0.795885146327222
Energy: 0.7379539791124907
Energy: 0.8029517878054117
Energy: 0.7379539791113638
Energy: 0.7118502356428503
Energy: 0.7417421425113095
Energy: 0.7023166238168695
Energy: 0.7417421425096191
Energy: 0.7983760830102065
Energy: 0.7330217353154673
Energy: 0.6676905413337804
Energy: 0.7330217353154673
Energy: 0.7581736168697311
Energy: 0.7006667960859505
Energy: 0.7025981313103603
Energy: 0.7006667960848235
Energy: 0.8520118269572531
Energy: 0.7086181263244317
Energy: 0.712440877117822
Energy: 0.7086181263227412
Energy: 0.714188978388339
Energy: 0.6946884558609225
Energy: 0.8093591555333542
Energy: 0.6946884558609225
Energy: 0.7036013967732978
Energy: 0.7030920507769778
Energy: 0.7945391914605332
Energy: 0.7030920507764142
Energy: 0.7062253542748892
Energy: 0.6987437937754869
Energy: 0.7973315129252816
Energy: 0.6987437937754869
Energy: 0.7103620971620768
Energy: 0.7428991167860424
Energy: 0.7387786267840161
Energy: 0.7428991167860424
Energy: 0.7031295022727628
Energy: 0.6698122657013995
Energy: 0.7421141838541786
Energy: 0.6698122657002726
Energy: 0.8507993035029454
Energy: 0.7959366339334774
Energy: 0.7976760244276351
Energy: 0.7959366339340409

minimum gb energy = 0.6667505846438401 eV
minimum distance =  2.59189998196791 Angstroms
sigma value = 73


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

Energy: 0.8580294580662067
Energy: 0.7601005859702503
Energy: 0.7598243446550369
Energy: 0.6699854425181383
Energy: 0.6684799263289164
Energy: 0.6705754435467695
Energy: 0.7520319845627409
Energy: 0.6705754435458755
Energy: 0.6684226137880046
Energy: 0.6694043454650239
Energy: 0.752808009735176
Energy: 0.6694043454641299
Energy: 0.6667191790632563
Energy: 0.6692317923853006
Energy: 0.8292765158055145
Energy: 0.6692317923844067
Energy: 0.6662430796783052
Energy: 0.6678196459137296
Energy: 0.826548218001283
Energy: 0.6678196459128356
Energy: 0.6684543834339106
Energy: 0.6676644523966113
Energy: 0.8266445821611003
Energy: 0.6676644523983993
Energy: 0.7468005087197009
Energy: 0.7470010441628088
Energy: 0.7548418065530877
Energy: 0.7470010441628088
Energy: 0.7477931873372647
Energy: 0.7100338988860625
Energy: 0.7446884383184991
Energy: 0.7100338988869566
Energy: 0.7461079413799729
Energy: 0.7110088190678063
Energy: 0.7584355885548235
Energy: 0.7110088190678063
Energy: 0.6675158642670722
Energy: 0.7114907134677513
Energy: 0.7463615803692301
Energy: 0.7114907134677513
Energy: 0.7444719336205299
Energy: 0.7106592727894065
Energy: 0.6705207955230451
Energy: 0.7106592727894065
Energy: 0.7564086798047223
Energy: 0.7481060110268297
Energy: 0.8247590218559029
Energy: 0.7481060110268297
Energy: 0.7464822775229623
Energy: 0.667888067908082
Energy: 0.6681471348106672
Energy: 0.66788806790987
Energy: 0.7506419031135109
Energy: 0.6681011544711422
Energy: 0.6668634869829273
Energy: 0.6681011544720362
Energy: 0.8286778964564439
Energy: 0.6695599059729705
Energy: 0.6671125193619399
Energy: 0.6695599059729705
Energy: 0.8266372955350312
Energy: 0.669281040022862
Energy: 0.6679476880068205
Energy: 0.6692810400237561
Energy: 0.8267816696251205
Energy: 0.6680918539140482
Energy: 0.6683676383728913
Energy: 0.6680918539131542
Energy: 0.7605313676448542
Energy: 0.7610590825254662
Energy: 0.7466312388559632
Energy: 0.7610590825254662
Energy: 0.7445368992832594
Energy: 0.7096312001570727
Energy: 0.7488818354780531
Energy: 0.7096312001570727
Energy: 0.7460634796985834
Energy: 0.7121715835700219
Energy: 0.7490140515022383
Energy: 0.7121715835700219
Energy: 0.7453238317157087
Energy: 0.7141920536206399
Energy: 0.6678985867722779
Energy: 0.7141920536215338
Energy: 0.8240043809567904
Energy: 0.7469845614611503
Energy: 0.7455800602163138
Energy: 0.7469845614611503

minimum gb energy = 0.6662430796783052 eV
minimum distance =  2.57335842169412 Angstroms
sigma value = 7


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

Energy: 1.1127713547877063
Energy: 0.773260097456098
Energy: 0.7730132558301717
Energy: 0.6889835456397634
Energy: 0.6808293205403634
Energy: 0.6818731478569705
Energy: 0.7530878996849156
Energy: 0.6818731478544419
Energy: 0.6781563898329754
Energy: 0.6809963519516128
Energy: 0.7533109767569364
Energy: 0.680996351952877
Energy: 0.6794852465788126
Energy: 0.6802700036660706
Energy: 0.8223896529851665
Energy: 0.6802700036673349
Energy: 0.6795875263338648
Energy: 0.6797076823356937
Energy: 0.8096415759503619
Energy: 0.6797076823325615
Energy: 0.6808804028825592
Energy: 0.6806957300436532
Energy: 0.8080025516163135
Energy: 0.6806957300379639
Energy: 0.7532852295874494
Energy: 0.6796339404881182
Energy: 0.6806421329996734
Energy: 0.6796339404855897
Energy: 0.75071174934101
Energy: 0.6802991184869697
Energy: 0.6796524690343688
Energy: 0.6802991184888663
Energy: 0.8223632408387689
Energy: 0.6804082418170917
Energy: 0.6796165873127976
Energy: 0.6804082418170917
Energy: 0.8230005864026128
Energy: 0.6812736761374514
Energy: 0.6785912690122233
Energy: 0.6812736761355549
Energy: 0.7541040244881294
Energy: 0.7239303502425756
Energy: 0.6805247114297862
Energy: 0.7239303502400468
Energy: 0.7530926848631653
Energy: 0.7514366796576896
Energy: 0.7495882722264385
Energy: 0.7514366796614825
Energy: 0.7487588968526628
Energy: 0.7192887326671661
Energy: 0.751295324333722
Energy: 0.7192887326665339
Energy: 0.7490869840992007
Energy: 0.7192692724717299
Energy: 0.6875676001283652
Energy: 0.7192692724673047
Energy: 0.7512782771078
Energy: 0.7191382310524296
Energy: 0.686735869445559
Energy: 0.7191382310486366
Energy: 0.6877350170533111
Energy: 0.749396009663436
Energy: 0.7529070659208017
Energy: 0.7493960096653325
Energy: 0.6879910681739491
Energy: 0.7229621660429343
Energy: 0.7537546536618394
Energy: 0.7229621660473596
Energy: 0.678858137707096
Energy: 0.6813456617217024
Energy: 0.7556282014532887
Energy: 0.681345661720438
Energy: 0.6796853874985795
Energy: 0.6806314934959398
Energy: 0.8231078074881767
Energy: 0.6806314934927788
Energy: 0.6799228875754377
Energy: 0.680263028447348
Energy: 0.6890263194535541
Energy: 0.6802630284498765
Energy: 0.6806633999008912
Energy: 0.6796829809243333
Energy: 0.8114945347587247
Energy: 0.6796829809268621
Energy: 0.7496537027333784
Energy: 0.6799966649177094
Energy: 0.6808673746893652
Energy: 0.6799966649177094
Energy: 0.7502856250765074
Energy: 0.6796511544302773
Energy: 0.6785598026533135
Energy: 0.679651154433438
Energy: 0.8223289079534182
Energy: 0.6801382411853558
Energy: 0.6795952456024913
Energy: 0.6801382411828272
Energy: 0.8201391408117156
Energy: 0.6811573956263434
Energy: 0.6786117106819674
Energy: 0.6811573956257112
Energy: 0.8069185736302558
Energy: 0.6811405672203517
Energy: 0.6807978273915722
Energy: 0.6811405672652063
Energy: 0.7729900060160552
Energy: 0.7733507523078706
Energy: 0.9667322366637869
Energy: 0.773350752305342
Energy: 0.7479419222131879
Energy: 0.7194030252267563
Energy: 0.753770093835645
Energy: 0.7194030252318134
Energy: 0.7530563154333445
Energy: 0.7195983062236367
Energy: 0.7486921179577097
Energy: 0.7195983062343835
Energy: 0.7502031480639371
Energy: 0.7221320509603408
Energy: 0.6872511339615605
Energy: 0.7221320509635016
Energy: 0.6877803565661514
Energy: 0.7495826062989157
Energy: 0.7498464073931563
Energy: 0.7495826062963871

minimum gb energy = 0.6781563898329754 eV
minimum distance =  2.57166944702193 Angstroms
sigma value = 29


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

Energy: 0.6316823155819914
Energy: 0.7472108920574895
Energy: 0.7130345895938824
Energy: 0.6336766308014582
Energy: 0.6509177963003021
Energy: 0.6885431213496069
Energy: 0.647003332026095
Energy: 0.6885431213502675
Energy: 0.6442270791548923
Energy: 0.6764842071412832
Energy: 0.6345634723822934
Energy: 0.6764842071376133
Energy: 0.6382770660667938
Energy: 0.6428590825550071
Energy: 0.6461649037545246
Energy: 0.6428590825593132
Energy: 0.6423239474607303
Energy: 0.6468122288890477
Energy: 0.6364252342135891
Energy: 0.6468122288879712
Energy: 0.6467584667975991
Energy: 0.6834336580262332
Energy: 0.6378342829788116
Energy: 0.6834336580268693
Energy: 0.6339597052837012
Energy: 0.6752164553706215
Energy: 0.6450627335358751
Energy: 0.6752164553749277
Energy: 0.6464330610373468
Energy: 0.6473275499374466
Energy: 0.6418058600306126
Energy: 0.647327549944542
Energy: 0.6361229791195715
Energy: 0.6446033882490442
Energy: 0.6488215694513572
Energy: 0.6446033882494602

minimum gb energy = 0.6316823155819914 eV
minimum distance =  2.58342813539455 Angstroms
sigma value = 5


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

Energy: 0.8747927029808974
Energy: 0.6353630228456766
Energy: 0.7327879877513321
Energy: 0.613935617005042
Energy: 0.7223413690765311
Energy: 0.6348436788694427
Energy: 0.7278762312945795
Energy: 0.6348436788676513
Energy: 0.7288784227102298
Energy: 0.6828017706380353
Energy: 0.7460375607764111
Energy: 0.6828017706392296
Energy: 0.650459030764308
Energy: 0.6874634243267854
Energy: 0.7224747889605091
Energy: 0.687463424325591
Energy: 0.7388349491719997
Energy: 0.632587731996058
Energy: 0.7432776930256041
Energy: 0.6325877319972522
Energy: 0.6329956345108241
Energy: 0.6355096150254685
Energy: 0.743062755658702
Energy: 0.6355096150260655
Energy: 0.6324434419868735
Energy: 0.6323777479212874
Energy: 0.7226563106154419
Energy: 0.6323777479218845
Energy: 0.639899156335098
Energy: 0.6350795782168666
Energy: 0.8042795729205624
Energy: 0.6350795782162694
Energy: 0.6541693528228125
Energy: 0.6475063438816
Energy: 0.7954416864512549
Energy: 0.6475063438821972
Energy: 0.7616248731793536
Energy: 0.6162454543733817
Energy: 0.6211420033959819
Energy: 0.6162454543739788
Energy: 0.6538815249049359
Energy: 0.6154834636479963
Energy: 0.6175186900774584
Energy: 0.6154834636479963
Energy: 0.8305434826248073
Energy: 0.6144411766350736
Energy: 0.6147780151767682
Energy: 0.6144411766356708
Energy: 0.8356009316733757
Energy: 0.6146710533515941
Energy: 0.6154119808988263
Energy: 0.6146710533521913
Energy: 0.6337109780744269
Energy: 0.6446056716461335
Energy: 0.7440247645257064
Energy: 0.6446056716467307
Energy: 0.6336819880878388
Energy: 0.6321918811357867
Energy: 0.7436458418194044
Energy: 0.6321918811357867
Energy: 0.6358112797092869
Energy: 0.6335708987778118
Energy: 0.7217541344553984
Energy: 0.6335708987772147
Energy: 0.6336052932471931
Energy: 0.6334162129318883
Energy: 0.6498643423109635
Energy: 0.6334162129318883
Energy: 0.7533871043093182
Energy: 0.636067928097411
Energy: 0.6503253648394632
Energy: 0.636067928097411
Energy: 0.7305131546468802
Energy: 0.6840618160024172
Energy: 0.7315659494685548
Energy: 0.6840618160018201
Energy: 0.7236684818511236
Energy: 0.6857693245727483
Energy: 0.6486962730054435
Energy: 0.6857693245739426
Energy: 0.7439436315548525
Energy: 0.6382761723711814
Energy: 0.7228930641622833
Energy: 0.6382761723681957
Energy: 0.7426452497233494
Energy: 0.6327487547117724
Energy: 0.6327525299144895
Energy: 0.6327487547129668
Energy: 0.7223233945801069
Energy: 0.6324756248330237
Energy: 0.6334346685881951
Energy: 0.6324756248330237
Energy: 0.8030324088499404
Energy: 0.6338076830255768
Energy: 0.6368007711383809
Energy: 0.6338076830267712
Energy: 0.8307883222564043
Energy: 0.645085924235051
Energy: 0.6532652927776442
Energy: 0.6450859242362453
Energy: 0.6172398665540174
Energy: 0.6169161448297783
Energy: 0.7616806118352296
Energy: 0.6169161448291812
Energy: 0.619401645061506
Energy: 0.6164532548851787
Energy: 0.6541549436918748
Energy: 0.6164532548857758
Energy: 0.614977003672391
Energy: 0.6161589699874939
Energy: 0.6767088629086584
Energy: 0.6161589699868967
Energy: 0.6151486010978612
Energy: 0.6154115325749616
Energy: 0.791593260869381
Energy: 0.6154115325749616
Energy: 0.7437562437292167
Energy: 0.6442980189252314
Energy: 0.6524137098246006
Energy: 0.6442980189258286
Energy: 0.7438777463653794
Energy: 0.6327253461441822
Energy: 0.6340614878638086
Energy: 0.6327253461441822
Energy: 0.7216141826928808
Energy: 0.6336458867446702
Energy: 0.6332676754895811
Energy: 0.6336458867446702
Energy: 0.6508967595467641
Energy: 0.6323193997093624
Energy: 0.6329287273775728
Energy: 0.6323193997081681

minimum gb energy = 0.613935617005042 eV
minimum distance =  2.56330606236502 Angstroms
sigma value = 1


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

Energy: 0.9312986549993472
Energy: 0.6012007260138098
Energy: 0.709064374872124
Energy: 0.5779863618266158
Energy: 0.6020556103310526
Energy: 0.6018404028078609
Energy: 0.7297783814178046
Energy: 0.6018404028086864
Energy: 0.7303259603650367
Energy: 0.664138774287357
Energy: 0.7324634293848264
Energy: 0.6641387742881827
Energy: 0.6190801569856708
Energy: 0.6648221686973933
Energy: 0.7234979867182999
Energy: 0.6648221686973933
Energy: 0.6008309000767672
Energy: 0.5995579006127757
Energy: 0.7274956374425569
Energy: 0.5995579006136015
Energy: 0.6003358914143417
Energy: 0.601776609265912
Energy: 0.7283787498344753
Energy: 0.6017766092667377
Energy: 0.5978043423584931
Energy: 0.5990677503660461
Energy: 0.7242932903736681
Energy: 0.5990677503635692
Energy: 0.6046211704547562
Energy: 0.6043141426618055
Energy: 0.8233287420548174
Energy: 0.6043141426618055
Energy: 0.7257050211927784
Energy: 0.6244200236041582
Energy: 0.822738013540893
Energy: 0.6244200236049839
Energy: 0.7279334505285006
Energy: 0.6038689981864369
Energy: 0.6165838345853135
Energy: 0.6038689981864369
Energy: 0.725269396642879
Energy: 0.5993685368141948
Energy: 0.598324405968913
Energy: 0.5993685368158461
Energy: 0.8207349218336857
Energy: 0.6055584679872461
Energy: 0.600523140290921
Energy: 0.6055584679864204
Energy: 0.8203662846227484
Energy: 0.5996450602236825
Energy: 0.6002540517176566
Energy: 0.5996450602253337
Energy: 0.7228082858095407
Energy: 0.6643561884139839
Energy: 0.7311283778846914
Energy: 0.664356188411507
Energy: 0.6207994204218911
Energy: 0.6633326000580357
Energy: 0.7307472600134803
Energy: 0.6633326000580357
Energy: 0.622830564970576
Energy: 0.6008125110714415
Energy: 0.723180165511663
Energy: 0.6008125110673133
Energy: 0.5996276673524051
Energy: 0.6002240604698555
Energy: 0.7293859628382507
Energy: 0.6002240604706811
Energy: 0.6043085807161193
Energy: 0.6033909495123031
Energy: 0.7215043952787934
Energy: 0.6033909495131287
Energy: 0.5984757429491294
Energy: 0.599674414784721
Energy: 0.8227793583386659
Energy: 0.5996744147871981
Energy: 0.6006187018513462
Energy: 0.6076346410343515
Energy: 0.8226282399663327
Energy: 0.6076346410327
Energy: 0.7282719603704874
Energy: 0.6209695053048648
Energy: 0.6010623211947729
Energy: 0.6209695053040393
Energy: 0.7299246472187874
Energy: 0.6009159244525898
Energy: 0.6036739384865849
Energy: 0.6009159244492872
Energy: 0.7235287563711472
Energy: 0.599579761956099
Energy: 0.5994854727928518
Energy: 0.5995797619552733
Energy: 0.8202954778284338
Energy: 0.5998500796933821
Energy: 0.5997870745219358
Energy: 0.599850079690905

minimum gb energy = 0.5779863618266158 eV
minimum distance =  2.57574404968689 Angstroms
sigma value = 17


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

Energy: 0.9986023172574909
Energy: 0.5997667641177243
Energy: 0.7138157747185389
Energy: 0.5836464005434555
Energy: 0.6068458348993209
Energy: 0.5978520946444579
Energy: 0.6805991340898973
Energy: 0.5978520946424165
Energy: 0.7437397052614313
Energy: 0.6031970050405211
Energy: 0.6989753862535195
Energy: 0.6031970050410315
Energy: 0.7888644399441417
Energy: 0.6250077213929143
Energy: 0.6748347886645845
Energy: 0.6250077213949556
Energy: 0.6622671687340107
Energy: 0.5823969666925559
Energy: 0.791741524763921
Energy: 0.5823969666925559
Energy: 0.5828705623015605
Energy: 0.5818239843377769
Energy: 0.7722373639998679
Energy: 0.5818239843357357
Energy: 0.5830607710410515
Energy: 0.5825521965015591
Energy: 0.6096210384880859
Energy: 0.5825521965000282
Energy: 0.5885315152795553
Energy: 0.5836853955854359
Energy: 0.7788677821383236
Energy: 0.5836853955854359
Energy: 0.7654685240061752
Energy: 0.583995597670765
Energy: 0.7427972715489872
Energy: 0.5839955976702547
Energy: 0.701355053290361
Energy: 0.6275858417782016
Energy: 0.6880335316952325
Energy: 0.6275858417776912
Energy: 0.7634362673905987
Energy: 0.5956249738826985
Energy: 0.6063159707575329
Energy: 0.5956249738832089
Energy: 0.7697110247692683
Energy: 0.5990800698036373
Energy: 0.6748556166849607
Energy: 0.5990800698026166
Energy: 0.7762058200430115
Energy: 0.5951125937790722
Energy: 0.596347663997679
Energy: 0.5951125937775413
Energy: 0.6951029152597146
Energy: 0.5956402817477207
Energy: 0.5969344937729726
Energy: 0.5956402817477207
Energy: 0.7837165738986029
Energy: 0.5968439507693208
Energy: 0.6026618190371675
Energy: 0.5968439507683002
Energy: 0.7806255025370616
Energy: 0.5955767285290473
Energy: 0.5985440582706177
Energy: 0.5955767285270059
Energy: 0.5960354882856823
Energy: 0.6003283143934095
Energy: 0.6894812149134877
Energy: 0.6003283143944301
Energy: 0.5955823263474872
Energy: 0.5952051313153489
Energy: 0.7671662650865714
Energy: 0.5952051313143283
Energy: 0.6065720554418595
Energy: 0.5976577256877416
Energy: 0.6768652748585174
Energy: 0.5976577256882518
Energy: 0.5964522912552938
Energy: 0.5953132497961663
Energy: 0.6839365087304292
Energy: 0.5953132498022903
Energy: 0.6795194244320083
Energy: 0.5967583360748431
Energy: 0.5962821122702474
Energy: 0.5967583360753534
Energy: 0.6991915274848215
Energy: 0.6010461806471188
Energy: 0.7460422143721812
Energy: 0.6010461806496704
Energy: 0.6747677287361318
Energy: 0.6236764617096378
Energy: 0.784847175645543
Energy: 0.6236764617106584
Energy: 0.7960620641762622
Energy: 0.5829922037338979
Energy: 0.6618135704830456
Energy: 0.5829922037344082
Energy: 0.7701426011707115
Energy: 0.5819147549333884
Energy: 0.5819810918202879
Energy: 0.5819147549338988
Energy: 0.6754731993512867
Energy: 0.5832480471817322
Energy: 0.5859017914721596
Energy: 0.58324804717816
Energy: 0.5883243982127896
Energy: 0.5839436883310226
Energy: 0.5881780895907609
Energy: 0.5839436883310226
Energy: 0.6767186852035901
Energy: 0.5834189618588427
Energy: 0.7681246263809148
Energy: 0.5834189618588427
Energy: 0.6816277447642879
Energy: 0.6264431230570914
Energy: 0.6997078645533278
Energy: 0.6264431230550501
Energy: 0.6073333451646258
Energy: 0.5950860568412318
Energy: 0.7622468643233236
Energy: 0.5950860568351078
Energy: 0.6742700140138596
Energy: 0.595773135066637
Energy: 0.7721560638529095
Energy: 0.5957731350656161
Energy: 0.5956079327150388
Energy: 0.5955580401456433
Energy: 0.7732091478248553
Energy: 0.5955580401461537
Energy: 0.5954116181473312
Energy: 0.5950658647017901
Energy: 0.6960688566030253
Energy: 0.5950658647002591
Energy: 0.6021190550237373
Energy: 0.5979674263930747
Energy: 0.7856669016488008
Energy: 0.5979674263925644
Energy: 0.6996503108875846
Energy: 0.60862763513239
Energy: 0.794736199534379
Energy: 0.6086276351329004
Energy: 0.8976577498019224
Energy: 0.5992257837062593
Energy: 0.5964148089331295
Energy: 0.5992257837072799
Energy: 0.7643207672121571
Energy: 0.5951441891432808
Energy: 0.5959136282804184
Energy: 0.5951441891427706
Energy: 0.7438800908363823
Energy: 0.5986022186633144
Energy: 0.5960713669677954
Energy: 0.598602218664335

minimum gb energy = 0.5818239843357357 eV
minimum distance =  2.56563932207705 Angstroms
sigma value = 89


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

Energy: 1.2158931510509876
Energy: 0.5801385652562638
Energy: 0.5799447186905762
Energy: 0.5561142247470283
Energy: 0.6399496110225732
Energy: 0.6278797031999341
Energy: 0.5905439928138653
Energy: 0.6278797031999341
Energy: 0.6482085513573042
Energy: 0.6277741493421924
Energy: 0.592875393580677
Energy: 0.6277741493421924
Energy: 0.6652623402430671
Energy: 0.6297605490362871
Energy: 0.5378474779383507
Energy: 0.6297605490349517
Energy: 0.6387326725237076
Energy: 0.5356132594608133
Energy: 0.6419654274061716
Energy: 0.5356132594608133
Energy: 0.6384709177568337
Energy: 0.5357495202189576
Energy: 0.6423042033746906
Energy: 0.5357495202202929
Energy: 0.6384736177178714
Energy: 0.5356294585103908
Energy: 0.5392055132355036
Energy: 0.5356294585117262
Energy: 0.6377966756812661
Energy: 0.5406877164797129
Energy: 0.535736279076488
Energy: 0.5406877164810483
Energy: 0.6404591705399968
Energy: 0.5361945521389094
Energy: 0.5453371210961115
Energy: 0.536194552137574
Energy: 0.6391121406761644
Energy: 0.5821227108293119
Energy: 0.5423515072505041
Energy: 0.5821227108293119
Energy: 0.6390294210186196
Energy: 0.5834426460599095
Energy: 0.66563750114452
Energy: 0.5834426460585743
Energy: 0.6424249420435181
Energy: 0.5791959581416867
Energy: 0.5368701303450054
Energy: 0.5791959581416867
Energy: 0.6423129921968789
Energy: 0.5796295372707864
Energy: 0.5880032318712591
Energy: 0.5796295372694511
Energy: 0.7432081942683633
Energy: 0.5779741179322645
Energy: 0.5791476155662709
Energy: 0.5779741179335998
Energy: 0.6578232442049721
Energy: 0.5794378462465082
Energy: 0.5809062674575398
Energy: 0.5794378462478436

minimum gb energy = 0.5356132594608133 eV
minimum distance =  2.56946771345365 Angstroms
sigma value = 13


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

Energy: 0.9239995591626601
Energy: 0.5204399503716315
Energy: 0.6622818283170591
Energy: 0.5141291908098841
Energy: 0.6026369529387878
Energy: 0.5175794502539401
Energy: 0.6114660775841855
Energy: 0.5175794502517015
Energy: 0.5353673469386288
Energy: 0.516286024259978
Energy: 0.6164067911558878
Energy: 0.516286024258299
Energy: 0.7071574622214107
Energy: 0.5193917198582834
Energy: 0.6055462342189587
Energy: 0.5193917198499393
Energy: 0.6094197747900465
Energy: 0.5175881490532251
Energy: 0.6256270694142848
Energy: 0.5175881490515462
Energy: 0.607205739218516
Energy: 0.5170448538932131
Energy: 0.6136829921034717
Energy: 0.5170448539004887
Energy: 0.6072663221498454
Energy: 0.5159805947593578
Energy: 0.6037112494770798
Energy: 0.5159805947627157
Energy: 0.6061171861747002
Energy: 0.5154497899850473
Energy: 0.6149153928658998
Energy: 0.5154497899800105
Energy: 0.5149720689076956
Energy: 0.5172913490896237
Energy: 0.6078102676893619
Energy: 0.5172913490980187
Energy: 0.5150419763708151
Energy: 0.5164771548675201
Energy: 0.6061420458216973
Energy: 0.5164771548736765
Energy: 0.5173421862376304
Energy: 0.5165636061491379
Energy: 0.9242498938859159
Energy: 0.5165636061552941
Energy: 0.7148508898158644
Energy: 0.5157114743854408
Energy: 0.6069943593990473
Energy: 0.515711474399992
Energy: 0.6189960173500151
Energy: 0.5419084134651706
Energy: 0.6030201207584505
Energy: 0.5419084134651706
Energy: 0.6056442909830405
Energy: 0.54372660815448
Energy: 0.7080089790360882
Energy: 0.5437266081533608
Energy: 0.613853022947915
Energy: 0.5177132699161674
Energy: 0.6063124040299291
Energy: 0.5177132699106216
Energy: 0.6110395837354331
Energy: 0.5165663465609636
Energy: 0.5186611844462707
Energy: 0.5165663465632023
Energy: 0.709812708375769
Energy: 0.5168362876312367
Energy: 0.5182707731509592
Energy: 0.5168362876273189
Energy: 0.5179178577413105
Energy: 0.5157303836457175
Energy: 0.5175950740636767
Energy: 0.5157303836501949
Energy: 0.6977274018423484
Energy: 0.5188383494774558
Energy: 0.6023868451551194
Energy: 0.5188383494819331
Energy: 0.7163078513698196
Energy: 0.5152553373904846
Energy: 0.6143905401447829
Energy: 0.5152553373893651
Energy: 0.7069664433194517
Energy: 0.5163829899229568
Energy: 0.603395739017114
Energy: 0.5163829899201585
Energy: 0.7160032560871666
Energy: 0.5506815063924994
Energy: 0.602728891863551
Energy: 0.5506815063869026
Energy: 0.6098557352773722
Energy: 0.5186750403320861
Energy: 0.7280311307120488
Energy: 0.5186750403326458
Energy: 0.5198228142482312
Energy: 0.5153074185320505
Energy: 0.606043169356391
Energy: 0.5153074185286924
Energy: 0.6040603616741778
Energy: 0.5162545387522297
Energy: 0.6120931485211619
Energy: 0.5162545387544684
Energy: 0.5159658958369141
Energy: 0.5153670079241074
Energy: 0.6087154196813316
Energy: 0.515367007924667
Energy: 0.5158892057102729
Energy: 0.5154494268237878
Energy: 0.712110113903658
Energy: 0.5154494268176316
Energy: 0.5158891270470414
Energy: 0.5181296305689181
Energy: 0.521423834717625
Energy: 0.5181296305711567
Energy: 0.7125654212532972
Energy: 0.5172066541811952
Energy: 0.6978634958824658
Energy: 0.51720665418959
Energy: 0.6136139951042645
Energy: 0.5440173446574528
Energy: 0.7105844551770831
Energy: 0.5440173446624897
Energy: 0.6064070712012247
Energy: 0.5412448434696716
Energy: 0.7075904840613711
Energy: 0.5412448434702313
Energy: 0.6096547316109973
Energy: 0.5162829271016484
Energy: 0.7101186102712004
Energy: 0.5162829271078045
Energy: 0.6144520283573417
Energy: 0.5178528469604404
Energy: 0.5264787245079356
Energy: 0.5178528469649177
Energy: 0.7108429288082166
Energy: 0.515692895598186
Energy: 0.5157675255213742
Energy: 0.515692895596507
Energy: 0.6834365098955513
Energy: 0.5161982081507072
Energy: 0.5194438570851043
Energy: 0.5161982081518265

minimum gb energy = 0.5141291908098841 eV
minimum distance =  2.59322039346106 Angstroms
sigma value = 37


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

Energy: 0.7948082399683571
Energy: 0.4713278023939852
Energy: 0.47179187922545274
Energy: 0.47030348047387194
Energy: 0.7711206244712638
Energy: 0.469672173296469
Energy: 0.6185601409203328
Energy: 0.469672173296469
Energy: 0.7640357827116149
Energy: 0.47009411545106844
Energy: 0.6210768042799777
Energy: 0.47009411545106844
Energy: 0.7627837667952767
Energy: 0.5172161855347011
Energy: 0.620388249398335
Energy: 0.5172161855347011
Energy: 0.6202738453030889
Energy: 0.5219481938258672
Energy: 0.6190523532707228
Energy: 0.5219481938249044
Energy: 0.5562393548251005
Energy: 0.4696941791556863
Energy: 0.7684460620419361
Energy: 0.46969417914124306
Energy: 0.4703075314854372
Energy: 0.4685115450739819
Energy: 0.7693587483212238
Energy: 0.4685115450749447
Energy: 0.47574197069940416
Energy: 0.4696982700590033
Energy: 0.7640658721767475
Energy: 0.46969827005996617
Energy: 0.46930137480765177
Energy: 0.4713941939020512
Energy: 0.7640986813754144
Energy: 0.47139419390301407
Energy: 0.468422448655779
Energy: 0.4697745994234066
Energy: 0.7058179838441411
Energy: 0.46977459942244376
Energy: 0.4717918792533543
Energy: 0.47132780182711104
Energy: 0.79480823996932
Energy: 0.47132780180111333
Energy: 0.6185601409203328
Energy: 0.469672173296469
Energy: 0.7051975473367558
Energy: 0.469672173296469
Energy: 0.6210768042799777
Energy: 0.4700941154520312
Energy: 0.764035782710652
Energy: 0.4700941154520312
Energy: 0.620388249398335
Energy: 0.5172161855347011
Energy: 0.7627837667952767
Energy: 0.5172161855347011
Energy: 0.6190523532716856
Energy: 0.5219481938268302
Energy: 0.6202738453040519
Energy: 0.5219481938258672
Energy: 0.7044025034813406
Energy: 0.46969417914413175
Energy: 0.6209892271239155
Energy: 0.46969417913259903
Energy: 0.7693587483202609
Energy: 0.4685115450739819
Energy: 0.4703075314854372
Energy: 0.4685115450749447
Energy: 0.7640658725126396
Energy: 0.46969827005996617
Energy: 0.475741970700367
Energy: 0.46969827005996617
Energy: 0.7640986813754144
Energy: 0.4713941939020512
Energy: 0.46930137480765177
Energy: 0.4713941939020512
Energy: 0.7713910137615304
Energy: 0.4697745994234066
Energy: 0.468422448655779
Energy: 0.46977459942244376

minimum gb energy = 0.468422448655779 eV
minimum distance =  2.60289384176487 Angstroms
sigma value = 25


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

Energy: 0.9552287022897463
Energy: 0.42312576972929355
Energy: 0.5874543550320092
Energy: 0.42498218061420956
Energy: 0.7617744218974271
Energy: 0.42097018382468876
Energy: 0.5422732484294974
Energy: 0.42097018382468876
Energy: 0.8596818809751663
Energy: 0.4199188777410215
Energy: 0.5440459124323841
Energy: 0.4199188777410215
Energy: 0.6626459814491553
Energy: 0.4214563143210375
Energy: 0.5414674306220392
Energy: 0.4214563143202855
Energy: 0.6693219247900131
Energy: 0.46246863840265373
Energy: 0.7682488368861692
Energy: 0.46246863840340563
Energy: 0.6629877644182441
Energy: 0.45982085505549875
Energy: 0.7637128521587108
Energy: 0.45982085505399495
Energy: 0.6639426608125556
Energy: 0.462194746765246
Energy: 0.6687780770440385
Energy: 0.4621947467644941
Energy: 0.5414503316017459
Energy: 0.42144160032631545
Energy: 0.766517897673705
Energy: 0.42144160032556355
Energy: 0.5443108438468015
Energy: 0.42007432142881895
Energy: 0.761797112622986
Energy: 0.4200743214303227
Energy: 0.5452258101583983
Energy: 0.4209073042834355
Energy: 0.7625610021621381
Energy: 0.4209073042834355
Energy: 0.42071706541507625
Energy: 0.4212311947720634
Energy: 0.8092112245508498
Energy: 0.4212311947705596
Energy: 0.42328285778973135
Energy: 0.42118142960468846
Energy: 0.7626482073823702
Energy: 0.42118142960318466
Energy: 0.4217389704365707
Energy: 0.42283478782942885
Energy: 0.6632754490638313
Energy: 0.42283478782792516
Energy: 0.42964552939808665
Energy: 0.42114131783110986
Energy: 0.8566571491071923
Energy: 0.42114131782885417
Energy: 0.5432430272588499
Energy: 0.41983344857013283
Energy: 0.6700396151356325
Energy: 0.41983344857013283
Energy: 0.5463644340384606
Energy: 0.42091307838982145
Energy: 0.8622872716669615
Energy: 0.42091307839132525
Energy: 0.6693612582430077
Energy: 0.42183111108116045
Energy: 0.8665876287157127
Energy: 0.42183111108191235
Energy: 0.5423144111374343
Energy: 0.4630503935060863
Energy: 0.6691348695949445
Energy: 0.4630503935060863
Energy: 0.7615448447804238
Energy: 0.46027415314542136
Energy: 0.6638779177325245
Energy: 0.46027415314466946
Energy: 0.6697021435833267
Energy: 0.46024598556261015
Energy: 0.663026781695011
Energy: 0.46024598556261015
Energy: 0.8101319285047739
Energy: 0.42257519229582174
Energy: 0.5464917824786356
Energy: 0.4225751922950698
Energy: 0.7623659075329448
Energy: 0.4196867265642105
Energy: 0.42113702781901363
Energy: 0.4196867265642105
Energy: 0.7607909176899682
Energy: 0.4224176765209682
Energy: 0.5412992332620709
Energy: 0.4224176765209682
Energy: 0.7661845780977037
Energy: 0.4218558101127306
Energy: 0.4261613891359448
Energy: 0.4218558101134825
Energy: 0.6702056689497103
Energy: 0.42017432552018413
Energy: 0.42034255893047007
Energy: 0.42017432552018413
Energy: 0.8618990076349141
Energy: 0.4212829835251915
Energy: 0.4250222067628199
Energy: 0.4212829835259434

minimum gb energy = 0.4196867265642105 eV
minimum distance =  2.60566858196422 Angstroms
sigma value = 41


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

Energy: 1.1283894903840086
Energy: 0.38891263254362707
Energy: 0.5631249111191472
Energy: 0.39123260586466724
Energy: 0.8455107022314855
Energy: 0.3880771790119443
Energy: 0.49004178195081927
Energy: 0.3880771790094785
Energy: 0.8852584996893603
Energy: 0.387085915905171
Energy: 0.48920857898660564
Energy: 0.38708591590023955
Energy: 0.8097868314553756
Energy: 0.38936821192447907
Energy: 0.5988574124896433
Energy: 0.3893682119213969
Energy: 0.7669932595660738
Energy: 0.38640431886762167
Energy: 0.6770710325479552
Energy: 0.38640431886700527
Energy: 0.803053720208019
Energy: 0.5027637391061369
Energy: 0.6765161113335123
Energy: 0.5027637391079862
Energy: 0.8082605627671735
Energy: 0.4213442222641707
Energy: 0.7411612151557135
Energy: 0.42134422226663637
Energy: 0.6836916706634706
Energy: 0.38896447838100745
Energy: 0.7252879930049848
Energy: 0.38896447838532233
Energy: 0.6312217418525958
Energy: 0.3875401212068425
Energy: 0.844392960695553
Energy: 0.38754012121115744
Energy: 0.6312257911222051
Energy: 0.3872934587980255
Energy: 0.7588677739346041
Energy: 0.3872934588004912
Energy: 0.48850521948135517
Energy: 0.3855103190627232
Energy: 0.9952028406019938
Energy: 0.38551031906518884
Energy: 0.48768628555796484
Energy: 0.3856539796521537
Energy: 0.7592867047056474
Energy: 0.3856539796509489
Energy: 0.480435273160646
Energy: 0.3853194846556615
Energy: 0.8024799422505104
Energy: 0.38531948465257937
Energy: 0.4428337345923686
Energy: 0.38641934687152557
Energy: 0.8808696470668246
Energy: 0.38641934686474494
Energy: 0.4349156653445149
Energy: 0.3856388348242487
Energy: 0.920972704382613
Energy: 0.3856388348248651
Energy: 0.4401105703619606
Energy: 0.3865861961123506
Energy: 0.9264322511238625
Energy: 0.38658619611358347
Energy: 0.5397849951351135
Energy: 0.38643140622128086
Energy: 0.9300255637943212
Energy: 0.386431406220048
Energy: 0.5296908242832931
Energy: 0.3840226158139776
Energy: 0.7651839217165773
Energy: 0.3840226158022936
Energy: 0.5387908196857789
Energy: 0.3851280857620011
Energy: 0.8053850212251531
Energy: 0.3851280857607682
Energy: 0.6687072469311605
Energy: 0.38414923435261583
Energy: 0.8038035485376794
Energy: 0.38414923435138304
Energy: 0.7008946732958964
Energy: 0.3840050975865132
Energy: 0.7605819278019523
Energy: 0.38400509758219825
Energy: 0.6693952597172899
Energy: 0.415821965125589
Energy: 0.8077261138716736
Energy: 0.4158219651280547
Energy: 0.8463209404541412
Energy: 0.41869778031750715
Energy: 0.8019019635130358
Energy: 0.4186977803131922
Energy: 0.7242555941985368
Energy: 0.42290449966741267
Energy: 0.6766026960235058
Energy: 0.42290449966926197
Energy: 0.8441743689643645
Energy: 0.4234691626778487
Energy: 0.6348193689258627
Energy: 0.42346916267908147
Energy: 0.8871451360075571
Energy: 0.38737182895226085
Energy: 0.6754755554285626
Energy: 0.38737182894917876
Energy: 0.8889853049999474
Energy: 0.3894009764334716
Energy: 0.48886822627212895
Energy: 0.38940097643470445
Energy: 0.7674499565029382
Energy: 0.3870626019940516
Energy: 0.4848313662943847
Energy: 0.38706260199528447
Energy: 0.8895984553075298
Energy: 0.3905548048874676
Energy: 0.49357182547580797
Energy: 0.39055480488993327
Energy: 0.8866392200879433
Energy: 0.38877543679371857
Energy: 0.39219914653630994
Energy: 0.3887754367961842
Energy: 0.9258697988669806
Energy: 0.3865889392139563
Energy: 0.38756684845310696
Energy: 0.38658893921210713
Energy: 0.8931535480778772
Energy: 0.3890315282685368
Energy: 0.39495935033568913
Energy: 0.38903152827100246

minimum gb energy = 0.38400509758219825 eV
minimum distance =  2.60382090382935 Angstroms
sigma value = 15


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

Energy: 0.9100478905638657
Energy: 0.3603955559929758
Energy: 0.536675300167083
Energy: 0.3622147631561457
Energy: 0.8968231146989716
Energy: 0.35616726560754647
Energy: 0.4436781373987567
Energy: 0.35616726556420425
Energy: 0.971448616458187
Energy: 0.3558672742178615
Energy: 0.4421920614948603
Energy: 0.3558672742178615
Energy: 0.8365176695191548
Energy: 0.35811692236569065
Energy: 0.6113678946213397
Energy: 0.358116922364124
Energy: 0.8302269532177514
Energy: 0.35391434563427976
Energy: 0.6031182410321321
Energy: 0.35391434562174706
Energy: 0.8294551411248597
Energy: 0.36049264148093524
Energy: 0.6047963866048192
Energy: 0.3604926414798908
Energy: 0.6831775632373464
Energy: 0.3586161361511228
Energy: 0.7548770937457224
Energy: 0.35861613615373383
Energy: 0.7592622222503719
Energy: 0.38569916486709377
Energy: 0.6020209162162884
Energy: 0.38569916488537065
Energy: 0.6818573485788051
Energy: 0.5540296395743607
Energy: 0.7536114401103807
Energy: 0.5540296395748828
Energy: 0.6802205505775598
Energy: 0.4638048881916484
Energy: 0.8329495390343489
Energy: 0.4638048881916484
Energy: 0.610921492057053
Energy: 0.3568752201347903
Energy: 0.8081909003276027
Energy: 0.35687522082745865
Energy: 0.5198442529508648
Energy: 0.3607888913776487
Energy: 0.8974360981451294
Energy: 0.3607888913755599
Energy: 0.6045675204730336
Energy: 0.35469973865003135
Energy: 0.8993871157751294
Energy: 0.35469973864950916
Energy: 0.4480040441883523
Energy: 0.35807203439614477
Energy: 0.7603031690525542
Energy: 0.35807203439718915
Energy: 0.43675842941797066
Energy: 0.3551441633280618
Energy: 0.8307973861576468
Energy: 0.35514416332597304
Energy: 0.44471218840577514
Energy: 0.35684972021390626
Energy: 0.9004435573990303
Energy: 0.35684972021390626
Energy: 0.36109512326652565
Energy: 0.356383261123351
Energy: 0.9040618156400884
Energy: 0.3563832611228288
Energy: 0.35550700690295717
Energy: 0.35482801388554824
Energy: 0.8296834385240004
Energy: 0.3548280138865927
Energy: 0.35897814305142395
Energy: 0.3580158177205772
Energy: 0.8312638907113367
Energy: 0.3580158177205772
Energy: 0.44624219549451716
Energy: 0.35810237789157034
Energy: 0.9741639224332308
Energy: 0.3581023778926148
Energy: 0.43548973649348866
Energy: 0.3546534290486366
Energy: 0.8298746346221516
Energy: 0.354653429049681
Energy: 0.4468932370834262
Energy: 0.3576034044843855
Energy: 0.8338376023868044
Energy: 0.3576034044822967
Energy: 0.6046387194697118
Energy: 0.3548304537387607
Energy: 0.8267881960056768
Energy: 0.3548304537361497
Energy: 0.601830355082338
Energy: 0.35416336317693903
Energy: 0.8980956349976225
Energy: 0.354163363174328
Energy: 0.6102650528246778
Energy: 0.35705226760649383
Energy: 0.7046466390456937
Energy: 0.35705226760806036
Energy: 0.7554318210581922
Energy: 0.4650189214034205
Energy: 0.8339788017250634
Energy: 0.46501892140812023
Energy: 0.6023992361414284
Energy: 0.3834044449841415
Energy: 0.7541518879689016
Energy: 0.3834044449804861
Energy: 0.7589185987901474
Energy: 0.38519661328472127
Energy: 0.6879755462964953
Energy: 0.3851966132841991
Energy: 0.7565887683500508
Energy: 0.35715869127433775
Energy: 0.7552649038366069
Energy: 0.3571586913886511
Energy: 0.7556932522390729
Energy: 0.36132154668683875
Energy: 0.6047015114992041
Energy: 0.3613215466889275
Energy: 0.8292633471392796
Energy: 0.35433949631785483
Energy: 0.5198528950454336
Energy: 0.354339496320988
Energy: 0.7608830889637354
Energy: 0.357549017547255
Energy: 0.610171173607745
Energy: 0.35754901754203305
Energy: 0.8996135458828661
Energy: 0.3561056666587633
Energy: 0.44255100679000264
Energy: 0.3561056666624187
Energy: 0.8966908725130661
Energy: 0.35566474662905806
Energy: 0.44016814281742783
Energy: 0.3556647466280137
Energy: 0.9085149188313407
Energy: 0.3573485643807791
Energy: 0.36363378648754874
Energy: 0.3573485643823457
Energy: 0.8970657464844489
Energy: 0.35762678345979826
Energy: 0.3583268618071758
Energy: 0.35762678346240917
Energy: 0.9690854458732437
Energy: 0.3586028640047971
Energy: 0.35660940806116226
Energy: 0.358602864003278

minimum gb energy = 0.35391434562174706 eV
minimum distance =  2.6118117875618 Angstroms
sigma value = 85


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

Energy: 0.9748505848691832
Energy: 0.3214102849382587
Energy: 0.32178177251164053
Energy: 0.3215608711031678
Energy: 0.8679096179623176
Energy: 0.3196044454179338
Energy: 0.39158782000861453
Energy: 0.31960444541838673
Energy: 0.8645801453056047
Energy: 0.3193050259472788
Energy: 0.39319818264465284
Energy: 0.31930502594637306
Energy: 0.7330038861195949
Energy: 0.32124988290218415
Energy: 0.5373808009719594
Energy: 0.32124988290623974
Energy: 0.8672961764541286
Energy: 0.31851324195036995
Energy: 0.5357696471423524
Energy: 0.31851324195036995
Energy: 0.7354448026759646
Energy: 0.31893976360304993
Energy: 0.539162121886113
Energy: 0.3189397636066731
Energy: 0.7391054802960315
Energy: 0.31913452405491227
Energy: 0.6746714976689872
Energy: 0.31913452406125287
Energy: 0.8053736929751772
Energy: 0.3195640051285617
Energy: 0.5334189986311679
Energy: 0.3195640051285617
Energy: 0.7382586773583274
Energy: 0.31860964081958143
Energy: 0.67134237480634
Energy: 0.3186096407811055
Energy: 0.7379599792957284
Energy: 0.5068111735092189
Energy: 0.7994429432511301
Energy: 0.5068111735092189
Energy: 0.6769172055922528
Energy: 0.4282436524888384
Energy: 0.7063911496351776
Energy: 0.4282436524883855
Energy: 0.6082347786635471
Energy: 0.3194922278221184
Energy: 0.8000634976455818
Energy: 0.3194922278180423
Energy: 0.6707816843725509
Energy: 0.32016412869541755
Energy: 0.8001275241701945
Energy: 0.32016412869451166
Energy: 0.5377959953319443
Energy: 0.3196013083494021
Energy: 0.6689075006334108
Energy: 0.3196013083489492
Energy: 0.45784744729235455
Energy: 0.318551504667265
Energy: 0.866499741236145
Energy: 0.31855150466862375
Energy: 0.5410660674648969
Energy: 0.3196192891058894
Energy: 0.8014652286353323
Energy: 0.3196192891063423
Energy: 0.3985924340684106
Energy: 0.32007033376319133
Energy: 0.7989458845081633
Energy: 0.3200703337627384
Energy: 0.3888337459164145
Energy: 0.31849590833060665
Energy: 0.8666979793439312
Energy: 0.3184959083310595
Energy: 0.393481126459623
Energy: 0.3201751317413872
Energy: 0.8641222516350286
Energy: 0.32017513174184004
Energy: 0.32240232194361523
Energy: 0.322152210677792
Energy: 0.8659163927211883
Energy: 0.322152210677792
Energy: 0.3191688530854974
Energy: 0.31880083616476995
Energy: 0.8674994216933797
Energy: 0.31880083616476995
Energy: 0.321803632773072
Energy: 0.32037297138816095
Energy: 0.8618838273140005
Energy: 0.3203729713858964
Energy: 0.39686541458814106
Energy: 0.3200785633835831
Energy: 0.863112724400564
Energy: 0.3200785633835831
Energy: 0.3905648910725917
Energy: 0.31845983698583386
Energy: 0.8678274716188413
Energy: 0.31845983698583386
Energy: 0.3934350035747948
Energy: 0.3206460540999022
Energy: 0.7339861597681879
Energy: 0.32064605410080804
Energy: 0.5384086327256298
Energy: 0.31872506678369505
Energy: 0.8650795118082334
Energy: 0.31872506678097756
Energy: 0.5364978224428592
Energy: 0.31857071808617954
Energy: 0.8636981507158711
Energy: 0.31857071806670473
Energy: 0.5381656393194363
Energy: 0.32021030376252724
Energy: 0.7342918036823568
Energy: 0.32021030376252724
Energy: 0.6740470978796216
Energy: 0.3188888129142932
Energy: 0.8681927162806019
Energy: 0.31888881292153964
Energy: 0.6717232821816242
Energy: 0.5048551083225914
Energy: 0.735445217317605
Energy: 0.5048551083225914
Energy: 0.7424719608702162
Energy: 0.36659009552830707
Energy: 0.606869258646866
Energy: 0.3665900955264955
Energy: 0.6746811485993034
Energy: 0.36622512462459283
Energy: 0.7408256585960935
Energy: 0.3662251246164406
Energy: 0.8006879997759284
Energy: 0.5046634409418055
Energy: 0.6048220844989701
Energy: 0.5046634409418055
Energy: 0.8689400021112996
Energy: 0.3198333898874626
Energy: 0.6055803890412964
Energy: 0.31983338988700977
Energy: 0.6687467956736617
Energy: 0.31961771874883094
Energy: 0.5376476045864041
Energy: 0.31961771875109546
Energy: 0.9267411876993785
Energy: 0.32007775084794166
Energy: 0.5357822506340825
Energy: 0.32007775084748874
Energy: 0.9267346214135869
Energy: 0.3189723334006731
Energy: 0.5383980413242078
Energy: 0.3189723333993144
Energy: 0.7987734788810561
Energy: 0.32191047580535503
Energy: 0.39389151413235174
Energy: 0.32191047580580795
Energy: 0.867938553970527
Energy: 0.3185351507430424
Energy: 0.3901315270055078
Energy: 0.3185351507430424
Energy: 0.864459445972359
Energy: 0.32033104121593226
Energy: 0.3970169248270411
Energy: 0.32033104121593226
Energy: 0.7980087778566055
Energy: 0.3196765970917581
Energy: 0.3183240177052967
Energy: 0.3196765970926639
Energy: 0.866972937193814
Energy: 0.3187768930551393
Energy: 0.3188279034006903
Energy: 0.31877689305559215
Energy: 0.8618265388843129
Energy: 0.31980420913202523
Energy: 0.321046210981044
Energy: 0.3198042091329311

minimum gb energy = 0.3183240177052967 eV
minimum distance =  2.61144733531457 Angstroms
sigma value = 113


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

Energy: 0.013462267308950105
Energy: 0.25975892363658165
Energy: 0.7482062502247736
Energy: 0.014035285117155879
Energy: 0.5531363905039239
Energy: 0.07087328103368677
Energy: 0.5536366208042488
Energy: 0.07087328103538892
Energy: 0.013959421787304981
Energy: 0.06966572467300965
Energy: 0.5528391735884587
Energy: 0.06966572467300965
Energy: 0.01483896815126767
Energy: 0.07190168155422769
Energy: 0.5542410511728934
Energy: 0.07190168155455652
Energy: 0.5548134484021279
Energy: 0.07085017697773294
Energy: 0.5553712109897847
Energy: 0.07085017697670778
Energy: 0.01397788641570356
Energy: 0.06956075250781915
Energy: 0.552593674584153
Energy: 0.06956075250781915

minimum gb energy = 0.013462267308950105 eV
minimum distance =  2.84949746627497 Angstroms
sigma value = 1