Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.05000014603138
cohesive_energy=3.3602642414071076
mass=26.981538
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=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18, -3.46289651142858e-18, -5.8276291143808794e-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: 0.010324785041085888
Energy: 0.050871589754724084
Energy: 0.3249815200970667
Energy: 0.050871589754724084
Energy: 0.050871589754724084
Energy: 0.4017508427588981
Energy: 0.050871589754724084
Energy: 0.40175084275937006
Energy: 0.3249815200975386
Energy: 0.050871589754724084
Energy: 0.010324785041085888
Energy: 0.050871589755223795
Energy: 0.050871589754724084
Energy: 0.40175084275937006
Energy: 0.050871589755223795
Energy: 0.4017508427588981

minimum gb energy = 0.010324785041085888 eV
minimum distance =  2.82849944588019 Angstroms
sigma value = 1


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

Energy: 0.665822964740468
Energy: 0.5215595541064958
Energy: 0.5224595431943826
Energy: 0.521559554107102
Energy: 0.4735109627481827
Energy: 0.5119411541646921
Energy: 0.47415377234170286
Energy: 0.5119411541634801
Energy: 0.5216495870099358
Energy: 0.521329980382005
Energy: 0.7283408622978016
Energy: 0.5213299803832169
Energy: 0.4740724628965312
Energy: 0.4728770159488907
Energy: 0.4740242102327548
Energy: 0.47287701594707254
Energy: 0.6203794793972793
Energy: 0.4733106082502733
Energy: 0.47469109707670193
Energy: 0.4733106082520915
Energy: 0.4955740190802494
Energy: 0.48125658517607345
Energy: 0.48237617895183066
Energy: 0.48125658517607345
Energy: 0.49239247145048926
Energy: 0.5007807063978883
Energy: 0.6187470796446924
Energy: 0.5007807063972823
Energy: 0.4902426275573987
Energy: 0.4887074068410234
Energy: 0.5135118820925123
Energy: 0.4887074068416294
Energy: 0.5408175920412482
Energy: 0.5205518108811165
Energy: 0.5054495522142834
Energy: 0.5205518108811165
Energy: 0.5106877650960217
Energy: 0.5138337317709836
Energy: 0.4895733533038283
Energy: 0.5138337317703775
Energy: 0.48795663172479586
Energy: 0.5204322986578689
Energy: 0.5405526368172182
Energy: 0.5204322986572628
Energy: 0.48994209501450364
Energy: 0.5220063228959296
Energy: 0.5128739822556084
Energy: 0.5220063228965357
Energy: 0.4902722027957109
Energy: 0.5004810257735764
Energy: 0.48540153826305255
Energy: 0.5004810257741825
Energy: 0.49594042037405767
Energy: 0.4991972342292827
Energy: 0.4982169298364124
Energy: 0.4991972342298887
Energy: 0.4847440327818565
Energy: 0.47278459273354356
Energy: 0.47295028186207005
Energy: 0.4727845927329375
Energy: 0.4927349890770706
Energy: 0.4731057295955669
Energy: 0.47262758173099184
Energy: 0.4731057295949609
Energy: 0.5220542429922472
Energy: 0.5218706552755944
Energy: 0.4758830623835478
Energy: 0.5218706552755944
Energy: 0.4737539143702978
Energy: 0.4753796887678208
Energy: 0.47167197547194994
Energy: 0.4753796887666087
Energy: 0.4816351316112675
Energy: 0.5215193572647429
Energy: 0.5232117962953291
Energy: 0.5215193572653487
Energy: 0.49451183242054914
Energy: 0.4748418265180367
Energy: 0.4747788563255826
Energy: 0.4748418265174306
Energy: 0.4751010036471388
Energy: 0.4734854111898507
Energy: 0.487796229993249
Energy: 0.4734854111898507
Energy: 0.48179884308832466
Energy: 0.4747702184451705
Energy: 0.4953781754392363
Energy: 0.4747702184451705
Energy: 0.4876753758417758
Energy: 0.5008939584626887
Energy: 0.49343450210673984
Energy: 0.5008939584620826
Energy: 0.5121665304771232
Energy: 0.4988194248667481
Energy: 0.48969833565573595
Energy: 0.4988194248667481
Energy: 0.5056658689577523
Energy: 0.5216619561617672
Energy: 0.5410962094054825
Energy: 0.5216619561611612
Energy: 0.4904217706809605
Energy: 0.5201033876588501
Energy: 0.5115268555143339
Energy: 0.5201033876594561
Energy: 0.5409716934146519
Energy: 0.5213730041524306
Energy: 0.4876635313872987
Energy: 0.5213730041524306
Energy: 0.511389908690668
Energy: 0.5210447303292164
Energy: 0.48903386465732
Energy: 0.5210447303292164
Energy: 0.48534190657096365
Energy: 0.5007208213415579
Energy: 0.49008267261442595
Energy: 0.5007208213409517
Energy: 0.4980722003936336
Energy: 0.500534986080074
Energy: 0.49594813392101916
Energy: 0.5005349860788618
Energy: 0.4723519155589903
Energy: 0.47283948082221094
Energy: 0.48518429208675795
Energy: 0.4728394808240291
Energy: 0.47287214015832013
Energy: 0.47265892293399436
Energy: 0.49245992502383
Energy: 0.47265892293520645
Energy: 0.47621576321893583
Energy: 0.5246552272623735
Energy: 0.5225779610648635
Energy: 0.5246552272611613

minimum gb energy = 0.47167197547194994 eV
minimum distance =  2.59101314868676 Angstroms
sigma value = 1


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

Energy: 0.7650042754062608
Energy: 0.5409128674134506
Energy: 0.5411465642583433
Energy: 0.5409128674134506
Energy: 0.4890231231922402
Energy: 0.5291530143586237
Energy: 0.488651942668666
Energy: 0.5291530143606966
Energy: 0.5422048788638868
Energy: 0.541637391916898
Energy: 0.6996083592642607
Energy: 0.5416373919224259
Energy: 0.4907713728007911
Energy: 0.5472067106372818
Energy: 0.4885572973307838
Energy: 0.5472067106358998
Energy: 0.499791903200523
Energy: 0.4890605102189214
Energy: 0.48868740906424923
Energy: 0.4890605102168484
Energy: 0.5168252569933773
Energy: 0.4974108828557197
Energy: 0.4969692278384685
Energy: 0.49741088285917484
Energy: 0.5154093510751858
Energy: 0.524249183451408
Energy: 0.5867847885323354
Energy: 0.5242491834458799
Energy: 0.5047606883704044
Energy: 0.5318998100518804
Energy: 0.5323287554257035
Energy: 0.5318998100525714
Energy: 0.5864514468534092
Energy: 0.5467740340862761
Energy: 0.5405500696999097
Energy: 0.546774034085585
Energy: 0.5327115656014964
Energy: 0.5415549544284732
Energy: 0.5059480636990646
Energy: 0.5415549544340011
Energy: 0.5037923333593809
Energy: 0.5228037209722775
Energy: 0.516041613804546
Energy: 0.5228037209729683
Energy: 0.5178423736008237
Energy: 0.5229807070128718
Energy: 0.5166204691712364
Energy: 0.5229807070121808
Energy: 0.4889638919049011
Energy: 0.48842590436729777
Energy: 0.5029826369204847
Energy: 0.48842590436798883
Energy: 0.488357807799282
Energy: 0.48838554833552966
Energy: 0.5094635210382266
Energy: 0.4883855483362207
Energy: 0.48597597509226276
Energy: 0.5464773427175884
Energy: 0.5423288319046488
Energy: 0.5464773427210433
Energy: 0.4902458845662769
Energy: 0.4908463731306555
Energy: 0.48841237499196394
Energy: 0.4908463731327285
Energy: 0.5426230582344782
Energy: 0.5413867556932901
Energy: 0.4992837372207646
Energy: 0.5413867556877621
Energy: 0.4903222370552519
Energy: 0.49004442819438615
Energy: 0.5168840021690597
Energy: 0.49004442819369515
Energy: 0.4991004825535945
Energy: 0.48786854607034075
Energy: 0.49011145304364434
Energy: 0.4878685460668858
Energy: 0.5169780052953095
Energy: 0.48947104741682274
Energy: 0.4985276267751882
Energy: 0.48947104742096875
Energy: 0.5162249141189401
Energy: 0.5221771046416913
Energy: 0.5865159479002431
Energy: 0.5221771046410003
Energy: 0.5046335671875519
Energy: 0.5222666904400582
Energy: 0.533406144224876
Energy: 0.5222666904421313
Energy: 0.5869452298088028
Energy: 0.546092434730146
Energy: 0.5404277335855
Energy: 0.5460924347260314
Energy: 0.532629839499121
Energy: 0.5462505727575955
Energy: 0.5058665742197476
Energy: 0.5462505727575955
Energy: 0.5034546057646592
Energy: 0.5228187229850281
Energy: 0.5157828299549837
Energy: 0.5228187229850281
Energy: 0.517164821966689
Energy: 0.5230774908152875
Energy: 0.5163958589174192
Energy: 0.5230774908139054
Energy: 0.48835121415322946
Energy: 0.48861218246136917
Energy: 0.5028312699986155
Energy: 0.4886121824606781
Energy: 0.4885946159489605
Energy: 0.48818706976030857
Energy: 0.5098630600696569
Energy: 0.48818706976030857
Energy: 0.485694881293505
Energy: 0.546424677047924
Energy: 0.5409989916300937
Energy: 0.5464246770527609

minimum gb energy = 0.485694881293505 eV
minimum distance =  2.5894618106146 Angstroms
sigma value = 25


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

Energy: 0.7294117247460566
Energy: 0.5610486444456276
Energy: 0.5610371400881173
Energy: 0.5610486444456276
Energy: 0.5036361079385784
Energy: 0.543984659143234
Energy: 0.503758079930547
Energy: 0.5439846591424308
Energy: 0.5606854616464073
Energy: 0.5614910128117516
Energy: 0.6599787612774818
Energy: 0.5614910128125549
Energy: 0.50706990614364
Energy: 0.5439557150648693
Energy: 0.5043299927432673
Energy: 0.5439557150648693
Energy: 0.5119086410110347
Energy: 0.5034820096862267
Energy: 0.50490713987209
Energy: 0.5034820096870299
Energy: 0.540097524410202
Energy: 0.5048368723932715
Energy: 0.5125806299628832
Energy: 0.5048368723940748
Energy: 0.5487244107296977
Energy: 0.5504028019800189
Energy: 0.5505535892763437
Energy: 0.5504028019800189
Energy: 0.5233114420699899
Energy: 0.5610634701434233
Energy: 0.5546161024548013
Energy: 0.5610634701434233
Energy: 0.5513526105378322
Energy: 0.5506817311096333
Energy: 0.5882039591249519
Energy: 0.5506817311096333
Energy: 0.5399915652465044
Energy: 0.5506016567182211
Energy: 0.5122305031050749
Energy: 0.5506016567190245
Energy: 0.4960222513302231
Energy: 0.5039174963001762
Energy: 0.5050529158020056
Energy: 0.5039174963001762
Energy: 0.5262453818747803
Energy: 0.5037300021725561
Energy: 0.5039022866685954
Energy: 0.5037300021725561
Energy: 0.5603113036132326
Energy: 0.569993581580171
Energy: 0.49629840190402696
Energy: 0.569993581580171
Energy: 0.5042370013752127
Energy: 0.5068544412378143
Energy: 0.5103615572636837
Energy: 0.5068544412378143
Energy: 0.5167066550426929
Energy: 0.5613813483330349
Energy: 0.5624163800644542
Energy: 0.5613813483330349
Energy: 0.5395109210177995
Energy: 0.5666336869262389
Energy: 0.5076645739602162
Energy: 0.5666336869270422
Energy: 0.5047387985486541
Energy: 0.5036306005754869
Energy: 0.514361711356405
Energy: 0.5036306005754869
Energy: 0.5045594766703465
Energy: 0.5043513000766756
Energy: 0.5391874663185986
Energy: 0.5043513000766756
Energy: 0.5505988476074535
Energy: 0.55043297549614
Energy: 0.5256942813504089
Energy: 0.5504329754969434
Energy: 0.5558141918728042
Energy: 0.5504458164333983
Energy: 0.5259302438893069
Energy: 0.5504458164333983
Energy: 0.5835887730622926
Energy: 0.5505462096925371
Energy: 0.5512895874411665
Energy: 0.5505462096925371
Energy: 0.521419059894716
Energy: 0.5519845277542442
Energy: 0.5400890245003109
Energy: 0.5519845277542442
Energy: 0.5045268319643897
Energy: 0.5035425703552695
Energy: 0.4962978066160333
Energy: 0.5035425703552695
Energy: 0.503809969676523
Energy: 0.5043550894891684
Energy: 0.5264024713483119
Energy: 0.5043550894899715
Energy: 0.49604096286285987
Energy: 0.5683947177111137
Energy: 0.5612280096782282
Energy: 0.5683947177103104

minimum gb energy = 0.4960222513302231 eV
minimum distance =  2.59030155822049 Angstroms
sigma value = 9


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

Energy: 0.6760659772651095
Energy: 0.5778386779964445
Energy: 0.5777966550477144
Energy: 0.577838677994528
Energy: 0.5209427179698803
Energy: 0.5532213152853855
Energy: 0.5203610057799695
Energy: 0.5532213152853855
Energy: 0.5779782737153856
Energy: 0.5775867894668748
Energy: 0.5224956354791317
Energy: 0.5775867894687914
Energy: 0.5252966216633621
Energy: 0.5531422438019925
Energy: 0.5208157599176412
Energy: 0.5531422438029507
Energy: 0.6066736450515556
Energy: 0.5207112446899778
Energy: 0.52275089468856
Energy: 0.5207112446918942
Energy: 0.5716338677048753
Energy: 0.520988725943398
Energy: 0.5282087332905235
Energy: 0.520988725943398
Energy: 0.5422271682598997
Energy: 0.5759576479357824
Energy: 0.539512896766631
Energy: 0.5759576479348241
Energy: 0.5285767786098933
Energy: 0.5764418824834603
Energy: 0.5887023476842737
Energy: 0.5764418824805856
Energy: 0.5207806775059716
Energy: 0.5205153411306424
Energy: 0.5002426664269055
Energy: 0.5205153411316006
Energy: 0.5206206710697623
Energy: 0.5204175505671824
Energy: 0.49986579316511187
Energy: 0.5204175505681407
Energy: 0.49938782016270244
Energy: 0.5779897665258958
Energy: 0.5876590096170747
Energy: 0.5779897665268541
Energy: 0.540118810742197
Energy: 0.5252885270098954
Energy: 0.520553903082567
Energy: 0.5252885270079788
Energy: 0.5784848281885776
Energy: 0.5778529393496233
Energy: 0.524846922137378
Energy: 0.5778529393496233
Energy: 0.5250811586937072
Energy: 0.5530611350572741
Energy: 0.5698599684726575
Energy: 0.5530611350553576
Energy: 0.5392386524738323
Energy: 0.5204578166664173
Energy: 0.5203877507563054
Energy: 0.5204578166664173
Energy: 0.5715224184686438
Energy: 0.5211395828150961
Energy: 0.5206130782649129
Energy: 0.5211395828150961
Energy: 0.5399983332945809
Energy: 0.576243594372066
Energy: 0.5399112086451945
Energy: 0.5762435943711077
Energy: 0.5404905115057
Energy: 0.576495351936814
Energy: 0.571988142571778
Energy: 0.5764953519387304
Energy: 0.5201218896662798
Energy: 0.5204478192450821
Energy: 0.5001558807357513
Energy: 0.5204478192450821
Energy: 0.5203921760322063
Energy: 0.5255311494253452
Energy: 0.4999603215515528
Energy: 0.5255311494263033
Energy: 0.49966022027868023
Energy: 0.5878196436226734
Energy: 0.5883766253560013
Energy: 0.5878196436226734

minimum gb energy = 0.49938782016270244 eV
minimum distance =  2.58356834312764 Angstroms
sigma value = 25


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

Energy: 0.5999960757787889
Energy: 0.5925651872699256
Energy: 0.5938525738891409
Energy: 0.5925651872699256
Energy: 0.5516737456658023
Energy: 0.5396484087182115
Energy: 0.5514896997053618
Energy: 0.5396484087170265
Energy: 0.5930234051283241
Energy: 0.5926859511672918
Energy: 0.6242896179245914
Energy: 0.5926859511672918
Energy: 0.5020070183389682
Energy: 0.5396933663660928
Energy: 0.5512889489307575
Energy: 0.5396933663660928
Energy: 0.5496061778038657
Energy: 0.5826423649419633
Energy: 0.5523687554252205
Energy: 0.5826423649419633
Energy: 0.5659636381568407
Energy: 0.5515175933285874
Energy: 0.516144238150107
Energy: 0.5515175933285874
Energy: 0.5995961931504936
Energy: 0.580905867388664
Energy: 0.5502839291164667
Energy: 0.580905867387479
Energy: 0.5000222708961117
Energy: 0.5811218888065596
Energy: 0.5160693568791117
Energy: 0.5811218888065596
Energy: 0.5927495501566123
Energy: 0.5934569547764349
Energy: 0.6280821615571902
Energy: 0.5934569547764349
Energy: 0.5926041708435379
Energy: 0.5019320983598555
Energy: 0.5010575849285379
Energy: 0.5019320983586705
Energy: 0.6240383566722667
Energy: 0.5929171564508781
Energy: 0.5943939841091599
Energy: 0.5929171564508781
Energy: 0.5648143749531487
Energy: 0.5398890714397859
Energy: 0.5018849163836785
Energy: 0.5398890714386008
Energy: 0.5167077635409807
Energy: 0.5826359384985222
Energy: 0.5497994839717606
Energy: 0.5826359384985222
Energy: 0.552873054964678
Energy: 0.5521457699498221
Energy: 0.5649965101698106
Energy: 0.5521457699498221
Energy: 0.5503414469463047
Energy: 0.5819737024479019
Energy: 0.6036336788638361
Energy: 0.5819737024479019
Energy: 0.5160099362396743
Energy: 0.5875928102696113
Energy: 0.6019643431788183
Energy: 0.5875928102696113
Energy: 0.6276479610111426
Energy: 0.6038543524248055
Energy: 0.6048515411681991
Energy: 0.6038543524248055

minimum gb energy = 0.5000222708961117 eV
minimum distance =  2.57325121256305 Angstroms
sigma value = 17


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

Energy: 0.8330598813347833
Energy: 0.6572712773789826
Energy: 0.6565837418012676
Energy: 0.6572712773789826
Energy: 0.5587070907612968
Energy: 0.5451291217578178
Energy: 0.6453919093450264
Energy: 0.5451291217564755
Energy: 0.5605452293547097
Energy: 0.5597940043632894
Energy: 0.622126109176623
Energy: 0.5597940043632894
Energy: 0.5439529581450221
Energy: 0.5442977891551302
Energy: 0.5946689402319909
Energy: 0.5442977891558012
Energy: 0.6240793282066146
Energy: 0.5971206306967031
Energy: 0.5739861996501622
Energy: 0.5971206306967031
Energy: 0.5954112568004594
Energy: 0.6000216605302936
Energy: 0.5821687844993776
Energy: 0.6000216605302936
Energy: 0.6692473941181688
Energy: 0.5589688831633498
Energy: 0.5607742003634719
Energy: 0.5589688831626786
Energy: 0.6747381610537462
Energy: 0.5591960394222374
Energy: 0.5570814617783058
Energy: 0.5591960394202241
Energy: 0.662398802753033
Energy: 0.6575546115327123
Energy: 0.6264364951467488
Energy: 0.6575546115327123
Energy: 0.6689466183829317
Energy: 0.6227796295945882
Energy: 0.6417460554998162
Energy: 0.6227796295952593
Energy: 0.6234517261082142
Energy: 0.5427191534078165
Energy: 0.543297736735135
Energy: 0.5427191534058335
Energy: 0.6234798490041813
Energy: 0.5423042870727084
Energy: 0.5430685237504141
Energy: 0.5423042870740508
Energy: 0.5727363931450632
Energy: 0.5424277589807197
Energy: 0.5424094644447613
Energy: 0.5424277589807197
Energy: 0.6680958783816362
Energy: 0.5483149607080495
Energy: 0.5425234917124055
Energy: 0.5483149607067073
Energy: 0.6605942026381302
Energy: 0.6571019549946193
Energy: 0.6750501946251536
Energy: 0.6571019549946193
Energy: 0.657046636327257
Energy: 0.6593566976627578
Energy: 0.6738430968368778
Energy: 0.6593566976620866
Energy: 0.623819191397198
Energy: 0.5594721495416556
Energy: 0.5597520564229599
Energy: 0.5594721495416556
Energy: 0.6238950600115966
Energy: 0.558721951141777
Energy: 0.5599087753547427
Energy: 0.5587219511411059
Energy: 0.5836151514807868
Energy: 0.6013380016044123
Energy: 0.5847311357876807
Energy: 0.6013380016050529
Energy: 0.5696125420740129
Energy: 0.5979277066409703
Energy: 0.5830293890307222
Energy: 0.5979277066409703
Energy: 0.5603453409599756
Energy: 0.543688590809632
Energy: 0.6776901377660206
Energy: 0.5436885908082897
Energy: 0.5602762015888568
Energy: 0.5601513721563768
Energy: 0.5724267980813388
Energy: 0.5601513721570478
Energy: 0.6465126706884037
Energy: 0.6247581822409006
Energy: 0.6593399055018129
Energy: 0.624758182238887
Energy: 0.6214604329173883
Energy: 0.6592808984986988
Energy: 0.660127986466959
Energy: 0.6592808984980275
Energy: 0.5275016453030128
Energy: 0.5436038825289465
Energy: 0.6246376368912646
Energy: 0.5436038825269636
Energy: 0.5428810188466288
Energy: 0.5429338321007333
Energy: 0.6219488058671055
Energy: 0.5429338321007333
Energy: 0.5251048815061321
Energy: 0.5793022916890941
Energy: 0.6240889512453435
Energy: 0.5793022916890941
Energy: 0.5460094295887006
Energy: 0.5427464175748538
Energy: 0.6740486092716138
Energy: 0.5427464175735114
Energy: 0.5267671573457923
Energy: 0.5763341642909382
Energy: 0.5730674739570014
Energy: 0.5763341642909382
Energy: 0.6729460772847827
Energy: 0.659071809499072
Energy: 0.656366319615524
Energy: 0.659071809499743

minimum gb energy = 0.5251048815061321 eV
minimum distance =  2.55991990365753 Angstroms
sigma value = 53


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

Energy: 0.7514377872207295
Energy: 0.5966121364911744
Energy: 0.5986627991529935
Energy: 0.5966121364927195
Energy: 0.5880536015838232
Energy: 0.5144340195415255
Energy: 0.5968282148964915
Energy: 0.5144340195415255
Energy: 0.5974880897988998
Energy: 0.5965075016435124
Energy: 0.5913719349286712
Energy: 0.5965075016450575
Energy: 0.5878703409305953
Energy: 0.5131250276417396
Energy: 0.5785688436315266
Energy: 0.5131250276417396
Energy: 0.5929204550169542
Energy: 0.5126651556407462
Energy: 0.47726349298693055
Energy: 0.5126651556392011
Energy: 0.5777128685212053
Energy: 0.5139262108941349
Energy: 0.47747095058535727
Energy: 0.5139262108956801
Energy: 0.6900980475293383
Energy: 0.5953027835722239
Energy: 0.596567509802015
Energy: 0.5953027835722239
Energy: 0.69310971418696
Energy: 0.5953333679951212
Energy: 0.6115436281402766
Energy: 0.5953333679951212
Energy: 0.5971738451855418
Energy: 0.5965353614336739
Energy: 0.5908832649129988
Energy: 0.5965353614336739
Energy: 0.5906924090075719
Energy: 0.578585158797078
Energy: 0.5867432732486291
Energy: 0.578585158798623
Energy: 0.5937006244271558
Energy: 0.5127794282878811
Energy: 0.4777917931667034
Energy: 0.5127794282878811
Energy: 0.5877893402787384
Energy: 0.5127444787103261
Energy: 0.48013653082965346
Energy: 0.5127444787118712
Energy: 0.6936545591288379
Energy: 0.5949624805842111
Energy: 0.5959735908567021
Energy: 0.5949624805842111

minimum gb energy = 0.47726349298693055 eV
minimum distance =  2.58841007414796 Angstroms
sigma value = 9


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

Energy: 0.7363801952213239
Energy: 0.6848899955492443
Energy: 0.687577208533759
Energy: 0.6848899955498162
Energy: 0.5946415532805222
Energy: 0.5361102488935641
Energy: 0.6883469699578377
Energy: 0.5361102488941359
Energy: 0.5361457038469541
Energy: 0.5360552193361974
Energy: 0.6679103159084081
Energy: 0.5360552193350537
Energy: 0.5386505728716686
Energy: 0.5357441426500172
Energy: 0.7057565717440993
Energy: 0.535744142650589
Energy: 0.5373011564809422
Energy: 0.5350607775308555
Energy: 0.7097435371520653
Energy: 0.5350607775314272
Energy: 0.5907571638919621
Energy: 0.535663765267539
Energy: 0.708190793234541
Energy: 0.535663765267539
Energy: 0.7002779635620255
Energy: 0.6743909460229066
Energy: 0.6876483925469756
Energy: 0.6743909460229066
Energy: 0.6885602225511532
Energy: 0.6635841812974741
Energy: 0.675423641438804
Energy: 0.6635841812974741
Energy: 0.5807687479752052
Energy: 0.6019751843982072
Energy: 0.5738776253734347
Energy: 0.6019751843976353
Energy: 0.5262325102725813
Energy: 0.5754948763296363
Energy: 0.6641865433823488
Energy: 0.57549487633078
Energy: 0.5849435388313017
Energy: 0.5816385918638787
Energy: 0.6198006854072677
Energy: 0.5816385918638787
Energy: 0.5825662671659042
Energy: 0.5822825408007374
Energy: 0.7118785285776092
Energy: 0.5822825408013091
Energy: 0.7013126713565098
Energy: 0.5816160209274068
Energy: 0.6394611924468482
Energy: 0.5816160209279787
Energy: 0.7022472696047202
Energy: 0.5819176500137614
Energy: 0.5880745573576976
Energy: 0.5819176500137614
Energy: 0.6668181755424109
Energy: 0.5753047521255608
Energy: 0.5782518220339558
Energy: 0.5753047521267046
Energy: 0.6199286079944356
Energy: 0.6170756036657165
Energy: 0.5795997024349808
Energy: 0.6170756036662883
Energy: 0.6693172400622366
Energy: 0.6006459375825828
Energy: 0.5935923143083672
Energy: 0.6006459375842984
Energy: 0.6863548477196624
Energy: 0.67571056357861
Energy: 0.7343175564617207
Energy: 0.6757105635791819
Energy: 0.6912959222160971
Energy: 0.5355323597285518
Energy: 0.6409721604746373
Energy: 0.5355323597274081
Energy: 0.6775617063865447
Energy: 0.5361216278187518
Energy: 0.5361339613157152
Energy: 0.5361216278187518
Energy: 0.7048099436628787
Energy: 0.5356011484098802
Energy: 0.539405629729429
Energy: 0.5356011484087364
Energy: 0.7082533801288583
Energy: 0.5351176950943143
Energy: 0.535964212959801
Energy: 0.5351176950943143
Energy: 0.7094199487899978
Energy: 0.5356459001300065
Energy: 0.5538587990055805
Energy: 0.5356459001305783
Energy: 0.6894204608232263
Energy: 0.6699360434194171
Energy: 0.7030020533461973
Energy: 0.6699360434188453
Energy: 0.6765106012647882
Energy: 0.6689560466720802
Energy: 0.7022389209344999
Energy: 0.6689560466715083
Energy: 0.5747164528589622
Energy: 0.6309978578397047
Energy: 0.5814483399517576
Energy: 0.6309978578397047
Energy: 0.6687211473330489
Energy: 0.5752387452585531
Energy: 0.5257465992696042
Energy: 0.5752387452585531
Energy: 0.6586193388975091
Energy: 0.58098658824189
Energy: 0.5856061254315383
Energy: 0.5809865882430338
Energy: 0.7134998507579698
Energy: 0.5824647407921302
Energy: 0.5845730693780217
Energy: 0.5824647407961333
Energy: 0.6379555595707869
Energy: 0.5807425230772749
Energy: 0.7015092887050157
Energy: 0.5807425230772749
Energy: 0.5857300817880786
Energy: 0.5824678985275361
Energy: 0.6671073901032979
Energy: 0.5824678985269642
Energy: 0.5876080833530197
Energy: 0.5765481005669042
Energy: 0.654159991331552
Energy: 0.5765481005674761
Energy: 0.5774291609746262
Energy: 0.6167317066600861
Energy: 0.620654199961158
Energy: 0.6167317066595143
Energy: 0.5831715961972427
Energy: 0.5996759692544498
Energy: 0.6260210268459008
Energy: 0.5996759692544498
Energy: 0.7126630983920232
Energy: 0.671752212482809
Energy: 0.6794042196957979
Energy: 0.6717522124822372

minimum gb energy = 0.5257465992696042 eV
minimum distance =  2.58098830023098 Angstroms
sigma value = 73


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

Energy: 0.7946120002791
Energy: 0.6575606466010625
Energy: 0.6582438057335352
Energy: 0.6575606466001552
Energy: 0.57552305740863
Energy: 0.5509673498486958
Energy: 0.6572137223950452
Energy: 0.5509673498496032
Energy: 0.550910943884873
Energy: 0.5511214404578565
Energy: 0.647424344128912
Energy: 0.5511214404578565
Energy: 0.5508139220433951
Energy: 0.5463609395728686
Energy: 0.7105418166671508
Energy: 0.546360939571054
Energy: 0.5536187673764743
Energy: 0.5520800062355329
Energy: 0.690888522269827
Energy: 0.5520800062355329
Energy: 0.5998713315072653
Energy: 0.5516920839148597
Energy: 0.6910452479656946
Energy: 0.5516920839166743
Energy: 0.6307614420168675
Energy: 0.6514227020540546
Energy: 0.6746708333830731
Energy: 0.651422702054962
Energy: 0.6309789136813104
Energy: 0.6442321874183676
Energy: 0.652395820822576
Energy: 0.6442321874165529
Energy: 0.5947234880663473
Energy: 0.6126884311766176
Energy: 0.6531942990083531
Energy: 0.612688431177525
Energy: 0.5669496832373008
Energy: 0.6103979275534661
Energy: 0.6530910841855121
Energy: 0.6103979275525588
Energy: 0.5860957632809978
Energy: 0.551490211090202
Energy: 0.5513338574002861
Energy: 0.5514902110911093
Energy: 0.585990374939146
Energy: 0.5866931293714035
Energy: 0.6776677855927054
Energy: 0.5866931293732182
Energy: 0.6570120961681866
Energy: 0.5514173242658128
Energy: 0.5859089190241741
Energy: 0.5514173242649054
Energy: 0.6465160837159978
Energy: 0.5865429995645798
Energy: 0.5887485867956109
Energy: 0.5865429995654872
Energy: 0.6676122965957729
Energy: 0.565151126894265
Energy: 0.564110041314819
Energy: 0.5651511268951723
Energy: 0.6911218077619751
Energy: 0.5659451113257888
Energy: 0.5644420452690648
Energy: 0.5659451113257888
Energy: 0.6952290644640379
Energy: 0.5642244671087244
Energy: 0.6322829741172111
Energy: 0.564224467107817
Energy: 0.6584213787234814
Energy: 0.6593936562965387
Energy: 0.6308430801551788
Energy: 0.6593936562965387
Energy: 0.6381247385106936
Energy: 0.6323508962311402
Energy: 0.6307411494536064
Energy: 0.6323508962320474
Energy: 0.6194977860674797
Energy: 0.5786858830392734
Energy: 0.6234050174835387
Energy: 0.5786858830392734
Energy: 0.6385495893768248
Energy: 0.6004963059303545
Energy: 0.5685857220220485
Energy: 0.6004963059294472
Energy: 0.696448645808901
Energy: 0.635703535623651
Energy: 0.6416357238419207
Energy: 0.6357035356227436

minimum gb energy = 0.546360939571054 eV
minimum distance =  2.56804019955541 Angstroms
sigma value = 7


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

Energy: 0.949717859670858
Energy: 0.6671472296993048
Energy: 0.6697718000690719
Energy: 0.6671472296986632
Energy: 0.637954368690913
Energy: 0.6065749372646259
Energy: 0.6981426117133079
Energy: 0.6065749372678336
Energy: 0.5473139511201164
Energy: 0.5459985943190226
Energy: 0.6034436236709423
Energy: 0.5459985943151732
Energy: 0.5483036308737987
Energy: 0.5462297452957741
Energy: 0.6563374833772224
Energy: 0.5462297452996236
Energy: 0.5709347813697482
Energy: 0.5670543930475797
Energy: 0.6596345336356069
Energy: 0.5670543930456551
Energy: 0.5682073650568794
Energy: 0.5670946698760949
Energy: 0.6601877227666998
Energy: 0.5670946698722454
Energy: 0.6898236769957764
Energy: 0.5676105223068386
Energy: 0.5675444117264425
Energy: 0.5676105223036307
Energy: 0.6869262134438459
Energy: 0.5673961611550974
Energy: 0.5677539949229902
Energy: 0.567396161155739
Energy: 0.7036327106195023
Energy: 0.5458718139569071
Energy: 0.5460242392443958
Energy: 0.545871813955624
Energy: 0.6648301665541212
Energy: 0.5462272034920341
Energy: 0.5455889351922086
Energy: 0.5462272034901094
Energy: 0.6956011477775274
Energy: 0.6271108588116675
Energy: 0.6873485413494708
Energy: 0.6271108588142338
Energy: 0.6387927868025519
Energy: 0.6395179474929443
Energy: 0.6885029411802904
Energy: 0.6395179474961522
Energy: 0.6274744876899983
Energy: 0.5740486087168554
Energy: 0.6388365363912096
Energy: 0.574048608720034
Energy: 0.6059584366575582
Energy: 0.5730049822373932
Energy: 0.5483090480725775
Energy: 0.5730049822341854
Energy: 0.6437066985077172
Energy: 0.5741808229253524
Energy: 0.5757166889617613
Energy: 0.5741808229304851
Energy: 0.5863398237059246
Energy: 0.6390759648335517
Energy: 0.6398102616778446
Energy: 0.6390759648329101
Energy: 0.5874305179322116
Energy: 0.6292827332380807
Energy: 0.6561966379152813
Energy: 0.6292827332342311
Energy: 0.5748474516667447
Energy: 0.5458198986635799
Energy: 0.6044831286450095
Energy: 0.545819898662297
Energy: 0.5468219351173533
Energy: 0.5454558038568639
Energy: 0.698072627651842
Energy: 0.5454558038581471
Energy: 0.5671744534511821
Energy: 0.567178960619297
Energy: 0.591429842030043
Energy: 0.5671789606148059
Energy: 0.5689771260157304
Energy: 0.5674896830932532
Energy: 0.660053940967371
Energy: 0.5674896830881205
Energy: 0.688048718516345
Energy: 0.567625651907401
Energy: 0.568011649274874
Energy: 0.5676256519061178
Energy: 0.6868610723064518
Energy: 0.5678239264893887
Energy: 0.5683493195433272
Energy: 0.567823926486181
Energy: 0.6938358835419999
Energy: 0.5460167773220984
Energy: 0.548120306970707
Energy: 0.5460167773214568
Energy: 0.6628209299639198
Energy: 0.546185191993139
Energy: 0.545343793754533
Energy: 0.546185191993139
Energy: 0.6857223929181315
Energy: 0.6063769977094405
Energy: 0.6384671771269358
Energy: 0.6063769977068743
Energy: 0.6705431349579045
Energy: 0.6668912614904329
Energy: 0.8070934480310319
Energy: 0.6668912614923574
Energy: 0.6344041012923924
Energy: 0.6280469858545102
Energy: 0.6385213648946204
Energy: 0.6280469858532272
Energy: 0.6045964698306849
Energy: 0.5739073672404054
Energy: 0.6163200045715588
Energy: 0.5739073672410471
Energy: 0.640989990642792
Energy: 0.5767776945920616
Energy: 0.5480753724524562
Energy: 0.5767776945927032
Energy: 0.5912819162928525
Energy: 0.6390164801627005
Energy: 0.6415761440657204
Energy: 0.6390164801684748

minimum gb energy = 0.545343793754533 eV
minimum distance =  2.57557374175863 Angstroms
sigma value = 29


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

Energy: 0.5013974276908739
Energy: 0.6271872500346644
Energy: 0.6262331111340596
Energy: 0.6271872500342173
Energy: 0.592918524421933
Energy: 0.5650060173985527
Energy: 0.590915860075303
Energy: 0.5650060173972365
Energy: 0.5924930497667745
Energy: 0.5874621439210723
Energy: 0.54441094520848
Energy: 0.5874621439208488
Energy: 0.5506414545624181
Energy: 0.511919144215687
Energy: 0.5910999896810845
Energy: 0.5119191442152649
Energy: 0.5514925818017342
Energy: 0.5471282806144481
Energy: 0.5021487971906061
Energy: 0.5471282806146716
Energy: 0.5907854792895002
Energy: 0.5874378249988119
Energy: 0.5021098467764921
Energy: 0.5874378249970738
Energy: 0.5460306537191031
Energy: 0.5886146707811098
Energy: 0.5916006960673871
Energy: 0.5886146707811098
Energy: 0.5908502375893447
Energy: 0.5150317978953578
Energy: 0.5847364666020544
Energy: 0.515031797896227
Energy: 0.5836422000042387
Energy: 0.5457467130144537
Energy: 0.5463930209441055
Energy: 0.5457467130048439

minimum gb energy = 0.5013974276908739 eV
minimum distance =  2.58472668223441 Angstroms
sigma value = 5


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

Energy: 0.7203947697544951
Energy: 0.633633717709134
Energy: 0.6346953555206107
Energy: 0.6336337177103462
Energy: 0.6432251627493215
Energy: 0.5171646845651268
Energy: 0.6159919997535275
Energy: 0.5171646845645209
Energy: 0.6152434317011735
Energy: 0.5577696624847642
Energy: 0.6070964481467506
Energy: 0.5577696624853703
Energy: 0.5303844976954083
Energy: 0.5163311921186055
Energy: 0.6422393731774572
Energy: 0.5163311921173933
Energy: 0.6205102629495227
Energy: 0.5248690453484604
Energy: 0.6542419120071824
Energy: 0.5248690453490665
Energy: 0.5513459913422485
Energy: 0.525069005307059
Energy: 0.6544124363656817
Energy: 0.525069005307059
Energy: 0.5169040190310172
Energy: 0.5163234371950844
Energy: 0.6462533470528083
Energy: 0.5163234371932662
Energy: 0.51975464936557
Energy: 0.5173268052248621
Energy: 0.6852944584092074
Energy: 0.5173268052254681
Energy: 0.5998425358118809
Energy: 0.5991726880014603
Energy: 0.6896456937246408
Energy: 0.5991726880014603
Energy: 0.6231886822036614
Energy: 0.5042429888516164
Energy: 0.5179934427336059
Energy: 0.5042429888510104
Energy: 0.5988847021431719
Energy: 0.5038653150291943
Energy: 0.5054624030056205
Energy: 0.5038653150298004
Energy: 0.6799449977913756
Energy: 0.5051801978791223
Energy: 0.5121312001811383
Energy: 0.5051801978785161
Energy: 0.6833732164322892
Energy: 0.504077824599504
Energy: 0.6431879388678803
Energy: 0.504077824599504
Energy: 0.597645278094188
Energy: 0.5280996624047783
Energy: 0.6064807969677662
Energy: 0.5280996624041724
Energy: 0.5179413262090381
Energy: 0.5170530788023568
Energy: 0.6079436504260257
Energy: 0.5170530788017508
Energy: 0.5226103550562534
Energy: 0.5175535948214265
Energy: 0.6432837971490811
Energy: 0.5175535948214265
Energy: 0.5167761662760404
Energy: 0.5169895984266951
Energy: 0.6206765241657001
Energy: 0.5169895984248769
Energy: 0.6185851921051664
Energy: 0.5175236387834752
Energy: 0.6304452077083724
Energy: 0.5175236387834752
Energy: 0.6078365283720698
Energy: 0.5589223664680435
Energy: 0.6173302235519512
Energy: 0.5589223664686497
Energy: 0.6459949561151953
Energy: 0.5165641661044914
Energy: 0.5280518498594885
Energy: 0.5165641661038853
Energy: 0.6538753102748838
Energy: 0.5180078326124956
Energy: 0.621069690865612
Energy: 0.5180078326124956
Energy: 0.6544141423703257
Energy: 0.5487081777233529
Energy: 0.5536252569997523
Energy: 0.5487081777227469
Energy: 0.6422617162193661
Energy: 0.5163729668777444
Energy: 0.5184732561688362
Energy: 0.5163729668789565
Energy: 0.6844366826817863
Energy: 0.517207524410618
Energy: 0.5200222125331817
Energy: 0.5172075244100118
Energy: 0.6896494055250976
Energy: 0.5375238688343005
Energy: 0.5984477976898255
Energy: 0.5375238688349065
Energy: 0.520469293999313
Energy: 0.5042746632763346
Energy: 0.6232196853604989
Energy: 0.5042746632775468
Energy: 0.5257706347130677
Energy: 0.5040557708330502
Energy: 0.6001637713414448
Energy: 0.5040557708336562
Energy: 0.511229804766528
Energy: 0.5046836273878138
Energy: 0.6257419812940621
Energy: 0.5046836273878138
Energy: 0.6387427458080239
Energy: 0.5043131816309954
Energy: 0.6847647045171777
Energy: 0.5043131816285712
Energy: 0.6072869645183266
Energy: 0.5341279283821501
Energy: 0.5981710986571391
Energy: 0.5341279283821501
Energy: 0.6069474097285948
Energy: 0.5171412401246683
Energy: 0.5192325962990196
Energy: 0.5171412401234563
Energy: 0.642781038636788
Energy: 0.5171870335194526
Energy: 0.5194133455105636
Energy: 0.5171870335194526
Energy: 0.620661289756923
Energy: 0.5169665199454825
Energy: 0.5517970510440026
Energy: 0.5169665199473008

minimum gb energy = 0.5038653150291943 eV
minimum distance =  2.56475632089317 Angstroms
sigma value = 1


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

Energy: 0.7694372054344271
Energy: 0.49848556045750775
Energy: 0.622178139757399
Energy: 0.4984855604583457
Energy: 0.6464233971871824
Energy: 0.4915086399202435
Energy: 0.6129862930134982
Energy: 0.49150863991940563
Energy: 0.5974607523394307
Energy: 0.5448681634236553
Energy: 0.6104445942545468
Energy: 0.5448681634236553
Energy: 0.5048033145866785
Energy: 0.4910739193732684
Energy: 0.6685780837738202
Energy: 0.49107391937243045
Energy: 0.597298972168286
Energy: 0.4991177019019742
Energy: 0.6661458966940664
Energy: 0.4991177018994603
Energy: 0.4980633205844739
Energy: 0.4984922891759425
Energy: 0.6662636011672031
Energy: 0.4984922891726097
Energy: 0.4909593791815913
Energy: 0.4910278898553933
Energy: 0.6675118485011545
Energy: 0.49102788985373647
Energy: 0.4910373178836323
Energy: 0.491234347776255
Energy: 0.7063031234676469
Energy: 0.49123434777709296
Energy: 0.6475584718804309
Energy: 0.5172477680380316
Energy: 0.7129957028070446
Energy: 0.5172477680397076
Energy: 0.6114306977477103
Energy: 0.49175984819317736
Energy: 0.49159705643042706
Energy: 0.49175984819317736
Energy: 0.6473211738835235
Energy: 0.49058656131359746
Energy: 0.4907218334320728
Energy: 0.49058656131527345
Energy: 0.7061135199286285
Energy: 0.4934689283209504
Energy: 0.4982110528735265
Energy: 0.49346892832178835
Energy: 0.7051434012626283
Energy: 0.4912272529620753
Energy: 0.6126376803300345
Energy: 0.4912272529645892
Energy: 0.6463919881509325
Energy: 0.490865612157156
Energy: 0.6104796020890946
Energy: 0.490865612156318
Energy: 0.506811197616924
Energy: 0.5442083109412673
Energy: 0.6125281889332264
Energy: 0.5442083109395914
Energy: 0.5025614790754592
Energy: 0.4911941410748982
Energy: 0.6675389442668122
Energy: 0.4911941410740603
Energy: 0.5437697585506551
Energy: 0.49883195164393274
Energy: 0.6662455662099699
Energy: 0.4988319516464466
Energy: 0.49792626672995843
Energy: 0.491405421698151
Energy: 0.6668990268762891
Energy: 0.491405421698151
Energy: 0.49115355975110814
Energy: 0.4907877880207325
Energy: 0.6894313501589728
Energy: 0.49078778802157047
Energy: 0.49093028240622216
Energy: 0.4910079780679728
Energy: 0.7063624835274115
Energy: 0.49100797807046764
Energy: 0.609592269948674
Energy: 0.5179101624645434
Energy: 0.6704927298236901
Energy: 0.5179101624670381
Energy: 0.6086261870486218
Energy: 0.49109817475710954
Energy: 0.4932705508741121
Energy: 0.49109817475710954
Energy: 0.6463952009707469
Energy: 0.49056371617932387
Energy: 0.49256078983368295
Energy: 0.49056371618098077
Energy: 0.7051507505125516
Energy: 0.4911424956781671
Energy: 0.4909144035444564
Energy: 0.491142495680681

minimum gb energy = 0.49056371617932387 eV
minimum distance =  2.57936158527687 Angstroms
sigma value = 17


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

Energy: 0.8297091786218438
Energy: 0.6298871801268141
Energy: 0.6329824882389604
Energy: 0.6298871801288858
Energy: 0.6695746531670834
Energy: 0.49205452930170546
Energy: 0.572372740335733
Energy: 0.4920545293027413
Energy: 0.6358901115774929
Energy: 0.5964535539394806
Energy: 0.5707802635024583
Energy: 0.5964535539405166
Energy: 0.6377167010287311
Energy: 0.5166900757850841
Energy: 0.631723699587202
Energy: 0.5166900757861199
Energy: 0.6749061102925462
Energy: 0.49368060128549973
Energy: 0.6911248582607188
Energy: 0.4936806012844639
Energy: 0.4833479928822484
Energy: 0.4933862463939844
Energy: 0.7173404039053295
Energy: 0.493386246396056
Energy: 0.4838345021839462
Energy: 0.48242331090017576
Energy: 0.6519549428757487
Energy: 0.4824233109006937
Energy: 0.48903785789629506
Energy: 0.483109928686627
Energy: 0.7502314027222367
Energy: 0.48310992867989394
Energy: 0.6888096995724509
Energy: 0.48334461797685424
Energy: 0.6879456811096404
Energy: 0.48334461797685424
Energy: 0.5778639183646583
Energy: 0.518626543128418
Energy: 0.5729184483691395
Energy: 0.5186265431258283
Energy: 0.6885059881793704
Energy: 0.49162878295732737
Energy: 0.49882885286231154
Energy: 0.49162878295680945
Energy: 0.715956098690649
Energy: 0.49252786063245296
Energy: 0.5808830537433417
Energy: 0.49252786063348886
Energy: 0.7129714174393543
Energy: 0.517150929464553
Energy: 0.5212249746025419
Energy: 0.5171509294650709
Energy: 0.7163752215919439
Energy: 0.4912810772710895
Energy: 0.4936062132108529
Energy: 0.49128107727212533
Energy: 0.6352804887139152
Energy: 0.4919240839139732
Energy: 0.4989716347708902
Energy: 0.4919240839139732
Energy: 0.7434761097782354
Energy: 0.49218630440734823
Energy: 0.6974002815516847
Energy: 0.4921863044057944
Energy: 0.4930798707572075
Energy: 0.5515297553131494
Energy: 0.6962263569488569
Energy: 0.551529755315739
Energy: 0.493884313839182
Energy: 0.4919137923250836
Energy: 0.7163681583902034
Energy: 0.4919137923266374
Energy: 0.5105371196419999
Energy: 0.49255707736400833
Energy: 0.6850743826643366
Energy: 0.49255707736400833
Energy: 0.6104790532258664
Energy: 0.5515182974067752
Energy: 0.7531028665954648
Energy: 0.5515182974067752
Energy: 0.5732629519952435
Energy: 0.49197628264909976
Energy: 0.6694005391294302
Energy: 0.4919762826444384
Energy: 0.5716130997139064
Energy: 0.597143360226485
Energy: 0.6345142101343658
Energy: 0.597143360226485
Energy: 0.6253141954601287
Energy: 0.5157859473110233
Energy: 0.6353708171238936
Energy: 0.5157859473105053
Energy: 0.6929930467876774
Energy: 0.48274492898122245
Energy: 0.5694026998376674
Energy: 0.48274492898018656
Energy: 0.7157069588192042
Energy: 0.48597507803221696
Energy: 0.4951112687421201
Energy: 0.4859750780316991
Energy: 0.6516877344551927
Energy: 0.4828425026880596
Energy: 0.485924308602928
Energy: 0.4828425026880596
Energy: 0.7407078651415793
Energy: 0.48334067081250487
Energy: 0.4913013988391449
Energy: 0.48334067081354076
Energy: 0.6846956798157118
Energy: 0.5163807847078694
Energy: 0.6894394088430885
Energy: 0.5163807847078694
Energy: 0.571660909706217
Energy: 0.5173772930208912
Energy: 0.5705794355759565
Energy: 0.5173772930224448
Energy: 0.4999251829507151
Energy: 0.4913738320117368
Energy: 0.6906734044071794
Energy: 0.491373832011219
Energy: 0.5790803961663019
Energy: 0.5047587171749321
Energy: 0.7184285812931589
Energy: 0.5047587171754501
Energy: 0.5197281238331347
Energy: 0.5064352808312386
Energy: 0.7197416317825032
Energy: 0.5064352808317564
Energy: 0.49163939247784055
Energy: 0.4911210669684957
Energy: 0.7144343256766876
Energy: 0.4911210669690136
Energy: 0.49831928912307294
Energy: 0.49223743325082764
Energy: 0.6371699924856409
Energy: 0.4922374332497918
Energy: 0.6990175337435401
Energy: 0.4921396119343688
Energy: 0.7424853570345139
Energy: 0.4921396119348867
Energy: 0.6987149528853124
Energy: 0.4926300484426393
Energy: 0.4927822333288785
Energy: 0.49263004844160346
Energy: 0.697570745129489
Energy: 0.4917689397734428
Energy: 0.4922389780824969
Energy: 0.4917689397734428
Energy: 0.6884220864662198
Energy: 0.49289082554254493
Energy: 0.5323793043921624
Energy: 0.49289082554461666

minimum gb energy = 0.48242331090017576 eV
minimum distance =  2.56277014272559 Angstroms
sigma value = 89


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

Energy: 0.8762914683660488
Energy: 0.4449255887083114
Energy: 0.44529513128765874
Energy: 0.44492558870966653
Energy: 0.6013796074996034
Energy: 0.4877158725795886
Energy: 0.6021604590272253
Energy: 0.4877158725795886
Energy: 0.4407930964382214
Energy: 0.4884567188653014
Energy: 0.6017722017295244
Energy: 0.4884567188653014
Energy: 0.44351700953744816
Energy: 0.4893749428174347
Energy: 0.6013348390360369
Energy: 0.4893749428160795
Energy: 0.4618291574246948
Energy: 0.4467916813153114
Energy: 0.5990956973982104
Energy: 0.4467916813153114
Energy: 0.44448853326246746
Energy: 0.4465965123626203
Energy: 0.598550160805773
Energy: 0.4465965123626203
Energy: 0.44571895896550545
Energy: 0.44435123107345553
Energy: 0.6010666539331423
Energy: 0.44435123107210034
Energy: 0.44488610964141057
Energy: 0.4455764571142836
Energy: 0.7397311415063055
Energy: 0.4455764571156388
Energy: 0.5939822819632715
Energy: 0.44540909605644463
Energy: 0.7403421119288113
Energy: 0.44540909605779977
Energy: 0.6017350667669149
Energy: 0.4879489975950804
Energy: 0.6014575482000345
Energy: 0.4879489975950804
Energy: 0.5938267211742045
Energy: 0.48754403058850876
Energy: 0.4406052249800707
Energy: 0.4875440305871844
Energy: 0.5986846277025385
Energy: 0.446035595980473
Energy: 0.601891653769656
Energy: 0.44603559597911785
Energy: 0.5996240272448035
Energy: 0.4450342070437846
Energy: 0.44722399513803723
Energy: 0.4450342070437846
Energy: 0.7440211660441101
Energy: 0.44432397075974833
Energy: 0.44493137088589857
Energy: 0.44432397075974833
Energy: 0.7401210816683854
Energy: 0.4450825015568983
Energy: 0.44774117690461857
Energy: 0.4450825015568983

minimum gb energy = 0.4406052249800707 eV
minimum distance =  2.60243891452553 Angstroms
sigma value = 13


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

Energy: 0.7767305343866026
Energy: 0.4406886946899446
Energy: 0.6107892735311268
Energy: 0.44068869243996805
Energy: 0.6871466086478724
Energy: 0.4346987031282401
Energy: 0.5188661144705577
Energy: 0.4346987031265361
Energy: 0.7084215063418313
Energy: 0.4342487346179113
Energy: 0.5172099079785206
Energy: 0.4342487346218873
Energy: 0.5946946469618366
Energy: 0.43484300936759807
Energy: 0.612010707460758
Energy: 0.43484300937157405
Energy: 0.7031301926350045
Energy: 0.43486676150764053
Energy: 0.6556183225086888
Energy: 0.43486676150536846
Energy: 0.5197386510647607
Energy: 0.4346272675564893
Energy: 0.651001227964446
Energy: 0.4346272675570573
Energy: 0.5174977135566043
Energy: 0.4344732824164812
Energy: 0.7908551803449928
Energy: 0.4344732824198892
Energy: 0.5177592766568437
Energy: 0.448585280141799
Energy: 0.7501380879049573
Energy: 0.448585280145775
Energy: 0.4390330618989922
Energy: 0.43536181344860686
Energy: 0.7539308246856529
Energy: 0.43536181344690283
Energy: 0.4372184520510395
Energy: 0.43461460581395295
Energy: 0.7538059271404604
Energy: 0.434614605818497
Energy: 0.43458828258310334
Energy: 0.43526107685934473
Energy: 0.7762903650967997
Energy: 0.435261076864999
Energy: 0.6511598970358357
Energy: 0.45825195634651006
Energy: 0.7538708030338033
Energy: 0.45825195634707805
Energy: 0.6539231193611609
Energy: 0.45523127570321964
Energy: 0.6513422032880969
Energy: 0.4552312757037877
Energy: 0.64818468526252
Energy: 0.45709472234527954
Energy: 0.5933462575004315
Energy: 0.45709472234357557
Energy: 0.7597566559458122
Energy: 0.4350122491856305
Energy: 0.596561831759273
Energy: 0.43501224919017445
Energy: 0.758135580866424
Energy: 0.4350674822280095
Energy: 0.4392550643858934
Energy: 0.4350674822302815
Energy: 0.7321374122226548
Energy: 0.43456714917924577
Energy: 0.43697524023540324
Energy: 0.4345671491786777
Energy: 0.7246608998941801
Energy: 0.43503099746268825
Energy: 0.4379389410696739
Energy: 0.43503099746439217
Energy: 0.8007950347358779
Energy: 0.43512604452294723
Energy: 0.5309736642010099
Energy: 0.4351260445218113
Energy: 0.7556009379675623
Energy: 0.4342953754184845
Energy: 0.5179171669522177
Energy: 0.4342953754139406
Energy: 0.5946304791168564
Energy: 0.43510469300577365
Energy: 0.5282700446903213
Energy: 0.43510469300125554
Energy: 0.7551485891517714
Energy: 0.43374402590593103
Energy: 0.6513563870646261
Energy: 0.433744025906499
Energy: 0.5202661679334634
Energy: 0.43487334235622954
Energy: 0.6516182606961743
Energy: 0.4348733423579335
Energy: 0.43853907239539364
Energy: 0.43438267191775065
Energy: 0.7579235846207146
Energy: 0.43438267191831864
Energy: 0.5208226770796338
Energy: 0.4483008287517777
Energy: 0.7592673492890509
Energy: 0.4483008287591359
Energy: 0.4530451576235821
Energy: 0.4353396315271992
Energy: 0.7570308522939208
Energy: 0.4353396315271992
Energy: 0.4346068074276038
Energy: 0.43439535873998525
Energy: 0.787428807285336
Energy: 0.43439535874055324
Energy: 0.43461014416477417
Energy: 0.4355579337452442
Energy: 0.7025408814482732
Energy: 0.4355579337463802
Energy: 0.6512944802832183
Energy: 0.43498715192016146
Energy: 0.8014663839652927
Energy: 0.43498715192016146
Energy: 0.5163849466255809
Energy: 0.45710343089306116
Energy: 0.6538065394349004
Energy: 0.4571034308919251
Energy: 0.654033273863165
Energy: 0.4596196225013134
Energy: 0.5950818328303982
Energy: 0.45961962250244937
Energy: 0.7575029011407406
Energy: 0.43499666010137833
Energy: 0.6542187278278188
Energy: 0.4349966600996743
Energy: 0.7604671229579537
Energy: 0.4353048823750761
Energy: 0.4343278381217786
Energy: 0.4353048823711001
Energy: 0.7879840093673117
Energy: 0.434285415452603
Energy: 0.4349769938211595
Energy: 0.434285415450899
Energy: 0.7979208956703653
Energy: 0.4488898944874111
Energy: 0.43867553050596936
Energy: 0.4488898944862752

minimum gb energy = 0.43374402590593103 eV
minimum distance =  2.58840093847987 Angstroms
sigma value = 37


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

Energy: 0.6693655319024725
Energy: 0.39765579645980836
Energy: 0.3976545619026749
Energy: 0.39765579645785387
Energy: 0.7285226220958276
Energy: 0.3979344453055016
Energy: 0.5271005369287751
Energy: 0.3979344453064788
Energy: 0.6447888770607805
Energy: 0.3976027733985777
Energy: 0.5257412230061564
Energy: 0.3976027733985777
Energy: 0.6445946610564594
Energy: 0.4410863180167983
Energy: 0.658092835947262
Energy: 0.4410863180167983
Energy: 0.6593341213358563
Energy: 0.44290585631930346
Energy: 0.5246215137486674
Energy: 0.44290585631930346
Energy: 0.5274020591137711
Energy: 0.3984824066900346
Energy: 0.7282964015409971
Energy: 0.3984824066890574
Energy: 0.395572162871521
Energy: 0.39773224669544416
Energy: 0.7285480312817533
Energy: 0.3977322466964214
Energy: 0.5260295121904314
Energy: 0.39827690879185074
Energy: 0.7167811638878369
Energy: 0.39827690879185074
Energy: 0.39784849256905064
Energy: 0.3984689808680212
Energy: 0.7258923914814622
Energy: 0.3984689808680212
Energy: 0.39801381590309476
Energy: 0.39804717498984826
Energy: 0.7285181953526656
Energy: 0.39804717498984826
Energy: 0.3976545619065838
Energy: 0.39765579645687665
Energy: 0.6693655319034276
Energy: 0.39765579645883115
Energy: 0.5271005369287751
Energy: 0.3979344453064788
Energy: 0.7285226220958276
Energy: 0.3979344453064788
Energy: 0.5257412230051793
Energy: 0.3976027733985777
Energy: 0.6447888770617577
Energy: 0.3976027733985777
Energy: 0.658092835947262
Energy: 0.4410863180158211
Energy: 0.6445946610554821
Energy: 0.4410863180158211
Energy: 0.5246215137476901
Energy: 0.44290585631930346
Energy: 0.6593341213358563
Energy: 0.44290585631930346
Energy: 0.7282964015409971
Energy: 0.3984824066890574
Energy: 0.5274020591137711
Energy: 0.3984824066890574
Energy: 0.7285480312827305
Energy: 0.39773224669544416
Energy: 0.395572162871521
Energy: 0.39773224669544416
Energy: 0.7167811638878369
Energy: 0.39827690879185074
Energy: 0.5260295121904314
Energy: 0.39827690879185074
Energy: 0.7258923914834167
Energy: 0.39846898086704396
Energy: 0.39784849257002786
Energy: 0.39846898086704396
Energy: 0.7285181953526656
Energy: 0.3980471749908255
Energy: 0.39801381590309476
Energy: 0.3980471749908255

minimum gb energy = 0.395572162871521 eV
minimum distance =  2.59504411358502 Angstroms
sigma value = 25


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

Energy: 0.871757391916632
Energy: 0.3716113336866764
Energy: 0.37173394224145073
Energy: 0.37161133407643876
Energy: 0.775728953888696
Energy: 0.3721788891685158
Energy: 0.46673443695259187
Energy: 0.3721788891662266
Energy: 0.7410362831275844
Energy: 0.37158591954652564
Energy: 0.47667529638655565
Energy: 0.3715859195449994
Energy: 0.6073314386517511
Energy: 0.37193615813899983
Energy: 0.6349356707213791
Energy: 0.37193615813823677
Energy: 0.7523840100232478
Energy: 0.40554835403854533
Energy: 0.6438699638962367
Energy: 0.405548354036256
Energy: 0.5887760818614117
Energy: 0.40482322005731036
Energy: 0.6428496797191802
Energy: 0.4048232200595996
Energy: 0.588670841093905
Energy: 0.3704907231531502
Energy: 0.7806631883953057
Energy: 0.37049072315086096
Energy: 0.6191931396646236
Energy: 0.37080562176063997
Energy: 0.6656954751851585
Energy: 0.37080562176216614
Energy: 0.4646655962442041
Energy: 0.3705276008707128
Energy: 0.7816551522788471
Energy: 0.37052760087452824
Energy: 0.4651787577689727
Energy: 0.37052072403832365
Energy: 0.7049778768373445
Energy: 0.3705207240413759
Energy: 0.41446995525673724
Energy: 0.37110012950257953
Energy: 0.7439622245863744
Energy: 0.37110012949800103
Energy: 0.414553876841735
Energy: 0.37009081275109706
Energy: 0.7052251448160947
Energy: 0.37009081275033395
Energy: 0.41954605280136914
Energy: 0.3645222186434691
Energy: 0.8433767339380805
Energy: 0.36452221864499523
Energy: 0.5060700795309684
Energy: 0.36515682307412695
Energy: 0.7027246690812268
Energy: 0.3651568230726355
Energy: 0.5198185087519371
Energy: 0.363999424467715
Energy: 0.8434116685615356
Energy: 0.3639994244661889
Energy: 0.5137930879221887
Energy: 0.37019599283080185
Energy: 0.7440825090775159
Energy: 0.37019599283080185
Energy: 0.6325698278412883
Energy: 0.3705015035147618
Energy: 0.7404895534330214
Energy: 0.3705015035147618
Energy: 0.5145393755275065
Energy: 0.40337534123078045
Energy: 0.7488646840326804
Energy: 0.40337534123001745
Energy: 0.6334363415578923
Energy: 0.40347904146262525
Energy: 0.6004789700396975
Energy: 0.4034790414618622
Energy: 0.7752349471442234
Energy: 0.4701725800386963
Energy: 0.5889323551372931
Energy: 0.4701725800386963
Energy: 0.7443235126855529
Energy: 0.3721371466694216
Energy: 0.46688606438976527
Energy: 0.3721371466709478
Energy: 0.7754101741827593
Energy: 0.3717909280460443
Energy: 0.41616599562550943
Energy: 0.37179092804528124
Energy: 0.8131480078113759
Energy: 0.37259838170841997
Energy: 0.4729127693440069
Energy: 0.37259838170689386
Energy: 0.6736028535541072
Energy: 0.3733731097419438
Energy: 0.37216948517163434
Energy: 0.37337310974118076
Energy: 0.8552028531769748
Energy: 0.37189764186844027
Energy: 0.3737570833912715
Energy: 0.37189764186844027
Energy: 0.7427410094298345
Energy: 0.37276055855340956
Energy: 0.37658441890531485
Energy: 0.37276055855569884

minimum gb energy = 0.3639994244661889 eV
minimum distance =  2.58135167712024 Angstroms
sigma value = 41


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

Energy: 0.763216328211597
Energy: 0.33870335073451796
Energy: 0.33866219083165294
Energy: 0.3387033939063637
Energy: 0.8064173354764139
Energy: 0.338951089422601
Energy: 0.41818637291397653
Energy: 0.3389510894219753
Energy: 0.7456783264770918
Energy: 0.3381954063669487
Energy: 0.4236096098233371
Energy: 0.33819540636882556
Energy: 0.6304230091365033
Energy: 0.3384099667025587
Energy: 0.5596281320345077
Energy: 0.3384099667038099
Energy: 0.7512257465904836
Energy: 0.3391278215572059
Energy: 0.5707070162150115
Energy: 0.3391278215609595
Energy: 0.6240372040591177
Energy: 0.4549692978263092
Energy: 0.5672117966793265
Energy: 0.4549692978256836
Energy: 0.6276814183062469
Energy: 0.3663538554632531
Energy: 0.6898209038438458
Energy: 0.3663538554645043
Energy: 0.6346325219041705
Energy: 0.36568134877702524
Energy: 0.5639134860910355
Energy: 0.36568134877452274
Energy: 0.5055807969350925
Energy: 0.4553167392648879
Energy: 0.6855523508590591
Energy: 0.4553167392655135
Energy: 0.5107690992883179
Energy: 0.3383644426268603
Energy: 0.8066748358665937
Energy: 0.33836444262748594
Energy: 0.41594315677744936
Energy: 0.33928150450657335
Energy: 0.6848330535324649
Energy: 0.33928150450657335
Energy: 0.4211683759312788
Energy: 0.33843590438938326
Energy: 0.8066818653747647
Energy: 0.3384359043906345
Energy: 0.41922495873531535
Energy: 0.3393367406434696
Energy: 0.8081232623456049
Energy: 0.3393367406440952
Energy: 0.3393902681115111
Energy: 0.33935389853035985
Energy: 0.6851387088088698
Energy: 0.33935389853035985
Energy: 0.3402972619658115
Energy: 0.3389218304899976
Energy: 0.8073259904472762
Energy: 0.3389218304899976
Energy: 0.34074385549299274
Energy: 0.33953743287969484
Energy: 0.7483268746669973
Energy: 0.339537432880946
Energy: 0.42297096774770826
Energy: 0.33928365132366817
Energy: 0.7516313856234927
Energy: 0.339283651322417
Energy: 0.41761099567393123
Energy: 0.33860260902468736
Energy: 0.7517483899834168
Energy: 0.33860260902406175
Energy: 0.4181836323513244
Energy: 0.33869570158543966
Energy: 0.626849351393444
Energy: 0.338695701584814
Energy: 0.5608745781430396
Energy: 0.33839980475008796
Energy: 0.6244582874022178
Energy: 0.33839980475008796
Energy: 0.566444111355636
Energy: 0.4535420681870677
Energy: 0.6891032131397101
Energy: 0.4535420681870677
Energy: 0.5618528750033904
Energy: 0.45674545460246335
Energy: 0.6284750345595046
Energy: 0.4567454546012122
Energy: 0.685595263658814
Energy: 0.3645479483372544
Energy: 0.6239354186055641
Energy: 0.36454794833537757
Energy: 0.5634600422359206
Energy: 0.4565151164557803
Energy: 0.5612378489095194
Energy: 0.4565151164551547
Energy: 0.6906831914272183
Energy: 0.4532757755273109
Energy: 0.49534477252299774
Energy: 0.4532757755285621
Energy: 0.6868229291814943
Energy: 0.3384912255424405
Energy: 0.5594513104995977
Energy: 0.3384912255461941
Energy: 0.6893404717759872
Energy: 0.3385811722869309
Energy: 0.41936793596080124
Energy: 0.3385811722863053
Energy: 0.8100807846999796
Energy: 0.338533369674912
Energy: 0.41822788510034636
Energy: 0.33853336967553754
Energy: 0.6887757462598617
Energy: 0.33966449653464914
Energy: 0.4170420483659888
Energy: 0.3396644965340236
Energy: 0.6870926740077865
Energy: 0.33941519760626643
Energy: 0.33900997686535383
Energy: 0.33941519760626643
Energy: 0.8079602685151742
Energy: 0.338803489775382
Energy: 0.3400383865474396
Energy: 0.33880348977600755
Energy: 0.7446128453432814
Energy: 0.33952249479169533
Energy: 0.3388592274385326
Energy: 0.3395224947910697

minimum gb energy = 0.3381954063669487 eV
minimum distance =  2.58634759107665 Angstroms
sigma value = 15


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

Energy: 0.7671181636828487
Energy: 0.31887255836530753
Energy: 0.31656258248634955
Energy: 0.31918727836914457
Energy: 0.8268814313456961
Energy: 0.3168806263960665
Energy: 0.38834952017822416
Energy: 0.3168806263992464
Energy: 0.775180415080481
Energy: 0.31813844169426214
Energy: 0.3878758705429161
Energy: 0.31813844169585204
Energy: 0.6754732972212413
Energy: 0.3168941925581523
Energy: 0.5052580212837564
Energy: 0.31689419255656237
Energy: 0.7812466708682088
Energy: 0.3176500315499346
Energy: 0.5110842152540632
Energy: 0.3176500315509945
Energy: 0.6677135623492614
Energy: 0.4168549249313175
Energy: 0.50520294858885
Energy: 0.4168549249329074
Energy: 0.5649142094769747
Energy: 0.4273730464645926
Energy: 0.6218402895306534
Energy: 0.42737304646512264
Energy: 0.6744922907111345
Energy: 0.5204687613839561
Energy: 0.5077233844803024
Energy: 0.5204687613839561
Energy: 0.5633687317783093
Energy: 0.5168317333133773
Energy: 0.616073903058944
Energy: 0.5168317333139072
Energy: 0.5627580792664433
Energy: 0.5180821507093358
Energy: 0.7215417669766623
Energy: 0.5180821507114557
Energy: 0.5080710571541975
Energy: 0.41757572318851227
Energy: 0.6250540833469622
Energy: 0.4175757231890423
Energy: 0.4492759487642406
Energy: 0.41913862498048854
Energy: 0.7216757693619018
Energy: 0.41913862498101856
Energy: 0.5049255025563155
Energy: 0.31613598002243815
Energy: 0.7214078696811395
Energy: 0.31613598003356763
Energy: 0.3853588344546423
Energy: 0.31680688945270274
Energy: 0.621156149197448
Energy: 0.3168068894537626
Energy: 0.38312854942220853
Energy: 0.31668453794466345
Energy: 0.8265901685957607
Energy: 0.31668453794572343
Energy: 0.3852797788793738
Energy: 0.31747054348892917
Energy: 0.7234472884886581
Energy: 0.3174705434873392
Energy: 0.317012932941727
Energy: 0.31766042784994786
Energy: 0.7266661725632844
Energy: 0.3176604278510078
Energy: 0.31660458087264687
Energy: 0.3165393052323137
Energy: 0.828546658333471
Energy: 0.3165393052323137
Energy: 0.3259149349452368
Energy: 0.31766570185456616
Energy: 0.670682531030022
Energy: 0.3176657018540362
Energy: 0.3839820430078327
Energy: 0.3178618683269223
Energy: 0.7796452554804797
Energy: 0.3178618683269223
Energy: 0.3809990632656231
Energy: 0.3176687310927385
Energy: 0.8283965037767139
Energy: 0.3176687310916786
Energy: 0.3813742464617681
Energy: 0.3167281786229224
Energy: 0.6735132879181591
Energy: 0.31672817862239244
Energy: 0.506222035109281
Energy: 0.31621451039989906
Energy: 0.6673362018261609
Energy: 0.31621451040254894
Energy: 0.5085143114269771
Energy: 0.4194200266535452
Energy: 0.7231883221190423
Energy: 0.4194200266514253
Energy: 0.5132993083343489
Energy: 0.4177389273303948
Energy: 0.5687553144820481
Energy: 0.41773892732620327
Energy: 0.6158252994597121
Energy: 0.5175280375743434
Energy: 0.722396087407705
Energy: 0.5175280375738136
Energy: 0.5103699384214699
Energy: 0.516635897578138
Energy: 0.6178966337119629
Energy: 0.516635897578138
Energy: 0.6751442790952062
Energy: 0.5212715254556577
Energy: 0.5685817076090132
Energy: 0.5212715254556577
Energy: 0.6180063122563304
Energy: 0.4284551477616708
Energy: 0.6208726533746514
Energy: 0.4284551477622008
Energy: 0.6162852028928385
Energy: 0.41655616575412135
Energy: 0.5130520290084721
Energy: 0.41655616575200144
Energy: 0.7806500659550721
Energy: 0.4184225958085026
Energy: 0.4491646366146203
Energy: 0.4184225958074426
Energy: 0.6204393619861928
Energy: 0.3166488397056851
Energy: 0.5054778983046693
Energy: 0.3166488397051551
Energy: 0.7216389756422686
Energy: 0.3181199409878556
Energy: 0.3833087697904109
Energy: 0.3181199409889156
Energy: 0.7813795916221723
Energy: 0.317020906961392
Energy: 0.3833593438710304
Energy: 0.3170209069640419
Energy: 0.7209421218303667
Energy: 0.31752417515237286
Energy: 0.382546967924308
Energy: 0.3175241751529028
Energy: 0.8268979829731308
Energy: 0.3173423073797417
Energy: 0.3211167306207256
Energy: 0.3173423073802717
Energy: 0.7742818814248612
Energy: 0.3172857867773445
Energy: 0.3215660827209069
Energy: 0.3172857867762845

minimum gb energy = 0.31613598002243815 eV
minimum distance =  2.58781965568049 Angstroms
sigma value = 85


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

Energy: 0.7108021454480301
Energy: 0.2863029088070373
Energy: 0.28631862772548355
Energy: 0.2863029066292694
Energy: 0.8309163276502725
Energy: 0.28648437230226953
Energy: 0.34167918198385855
Energy: 0.28648437230180995
Energy: 0.6881134059302212
Energy: 0.2862884377579992
Energy: 0.34169357996946664
Energy: 0.28628843775707996
Energy: 0.5938317180574272
Energy: 0.2864017561753881
Energy: 0.4516045287743493
Energy: 0.2864017561763074
Energy: 0.7887603438200183
Energy: 0.3764891695206938
Energy: 0.4531775872694133
Energy: 0.3764891695206938
Energy: 0.594066857049746
Energy: 0.2869227745533181
Energy: 0.45382391318771503
Energy: 0.286922774554697
Energy: 0.5938765574789886
Energy: 0.3882753440500531
Energy: 0.5495482878643579
Energy: 0.3882753440500531
Energy: 0.6976796254181434
Energy: 0.4674544523959902
Energy: 0.4528641380297841
Energy: 0.4674544523959902
Energy: 0.5969204454727965
Energy: 0.46907894530649313
Energy: 0.5512822340296257
Energy: 0.46907894530649313
Energy: 0.5957199740646604
Energy: 0.4756441488385238
Energy: 0.644115433084489
Energy: 0.47564414883898337
Energy: 0.5496530692482869
Energy: 0.4695006528516109
Energy: 0.5489540040880059
Energy: 0.4695006528520705
Energy: 0.5051071804267535
Energy: 0.46742485865829336
Energy: 0.6441286316439588
Energy: 0.46742485865783373
Energy: 0.5496410829655911
Energy: 0.38785351133187806
Energy: 0.6419360146830037
Energy: 0.38785351133187806
Energy: 0.4531857147228841
Energy: 0.3768053762886374
Energy: 0.5485492039693202
Energy: 0.37680537628909705
Energy: 0.39799094431616516
Energy: 0.28732173961004237
Energy: 0.738669085483147
Energy: 0.2873217395976319
Energy: 0.4521044897937968
Energy: 0.28750553880292945
Energy: 0.6427388248838498
Energy: 0.28750553880292945
Energy: 0.3449925791861119
Energy: 0.2866319471425543
Energy: 0.6413321273906809
Energy: 0.28663194714209467
Energy: 0.3418477935894166
Energy: 0.28620713409455467
Energy: 0.8309275962056527
Energy: 0.28620713409409493
Energy: 0.3438805636127681
Energy: 0.28750443147405563
Energy: 0.7356063288728235
Energy: 0.28750443147405563
Energy: 0.2865495063567229
Energy: 0.2874612890042873
Energy: 0.7354751440884543
Energy: 0.28746128900520657
Energy: 0.2869742338324674
Energy: 0.2867374703405796
Energy: 0.8304015448803398
Energy: 0.2867374703405796
Energy: 0.2865076068081534
Energy: 0.28811701734296064
Energy: 0.6874779363952124
Energy: 0.2881170173425009
Energy: 0.34388394475871353
Energy: 0.28715137354176756
Energy: 0.7826485002115389
Energy: 0.2871513735408483
Energy: 0.3440332701205724
Energy: 0.2862196063930194
Energy: 0.8293996646440841
Energy: 0.2862196063925598
Energy: 0.34213237297021015
Energy: 0.2865003526683613
Energy: 0.5937293311050106
Energy: 0.2865003526679016
Energy: 0.451159295108663
Energy: 0.2875198678122927
Energy: 0.784507184330898
Energy: 0.2875198678113734
Energy: 0.4535905526244243
Energy: 0.2865270114949814
Energy: 0.6888550550029596
Energy: 0.2865270114963604
Energy: 0.549406726054722
Energy: 0.3877784033154533
Energy: 0.5940869573003366
Energy: 0.3877784033149937
Energy: 0.5512215966611338
Energy: 0.4677883352308254
Energy: 0.7373480318942954
Energy: 0.4677883352308254
Energy: 0.5496633216945281
Energy: 0.47309343089837724
Energy: 0.5947065402223771
Energy: 0.47309343089837724
Energy: 0.6424874132664125
Energy: 0.47493515082122784
Energy: 0.5048278815254327
Energy: 0.4749351508221472
Energy: 0.5489275396987404
Energy: 0.4750006577865834
Energy: 0.6426667767919987
Energy: 0.4750006577865834
Energy: 0.6426559462437558
Energy: 0.46724092051961863
Energy: 0.5030113222375184
Energy: 0.46724092051961863
Energy: 0.7377151304116333
Energy: 0.4677144749087251
Energy: 0.5031375474039661
Energy: 0.4677144749087251
Energy: 0.5490717851246469
Energy: 0.37683961714876857
Energy: 0.5265224680572966
Energy: 0.3768396171496879
Energy: 0.7374261855830256
Energy: 0.376759781762127
Energy: 0.45343102847609174
Energy: 0.37675978176166725
Energy: 0.7364702281980023
Energy: 0.2867255226869493
Energy: 0.4573614737910748
Energy: 0.2867255226887879
Energy: 0.6412387752800205
Energy: 0.2864400081546203
Energy: 0.3438988968073041
Energy: 0.2864400081546203
Energy: 0.8304961805164117
Energy: 0.28610944863236404
Energy: 0.3429578721824759
Energy: 0.2861094486319044
Energy: 0.7366267584074352
Energy: 0.28711085675424075
Energy: 0.3437066615914128
Energy: 0.28711085675516007
Energy: 0.6411572441577295
Energy: 0.2877927332431564
Energy: 0.2866601569039633
Energy: 0.2877927332431564
Energy: 0.8308843900538381
Energy: 0.2866512538645509
Energy: 0.28659400693701637
Energy: 0.28665125386501056
Energy: 0.6874743571621025
Energy: 0.28742787534900954
Energy: 0.2863459721119525
Energy: 0.28742787534900954

minimum gb energy = 0.2861094486319044 eV
minimum distance =  2.58793004186945 Angstroms
sigma value = 113


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

Energy: 0.011681160832343012
Energy: 0.3369397903638941
Energy: 0.6820619052274746
Energy: 0.3369397903652683
Energy: 0.407409674634654
Energy: 0.06317052711595406
Energy: 0.4076538109329369
Energy: 0.06317052711630741
Energy: 0.012055975656253656
Energy: 0.06230032468980517
Energy: 0.4060318466883905
Energy: 0.06230032469013889
Energy: 0.013057143735767716
Energy: 0.06173943124449268
Energy: 0.4055298337772377
Energy: 0.06173943124553311
Energy: 0.4065729027570977
Energy: 0.0621584973533302
Energy: 0.4062990260307836
Energy: 0.06215849735299648
Energy: 0.011945906719251189
Energy: 0.061907431574839446
Energy: 0.4058158836529005
Energy: 0.061907431575192795

minimum gb energy = 0.011681160832343012 eV
minimum distance =  2.82842506596199 Angstroms
sigma value = 1