Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_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=4.049994595348835
cohesive_energy=3.360264143322612
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=[1.68087555026208e-19, 2.35348532298162e-19, 2.86972265622276e-19, 3.26738289678156e-19, 3.5887154424966e-19, 3.8687919398861397e-19, 4.1120824617590397e-19, 4.3076761852377597e-19, 4.4648176695004795e-19, 4.59767015599176e-19, 4.7150456161986e-19, 4.821029600537699e-19, 4.91687180678358e-19, 5.002796539665e-19, 5.0793805827702e-19, 5.14716867615474e-19, 5.20633705924836e-19, 5.25685368851838e-19, 5.29859038983408e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.3804295722988e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.37112092605526e-19, 5.355083137948919e-19, 5.331547163195459e-19, 5.29905502105794e-19, 5.25509129422098e-19, 5.19589086759468e-19, 5.1162626888848795e-19, 5.0109676404984e-19, 4.87595221555122e-19, 4.70906949735378e-19, 4.507707937992659e-19, 4.26690078990246e-19, 3.9780443645585994e-19, 3.6269593987501796e-19, 3.19203252968454e-19, 2.6457864280885797e-19, 1.96309896434118e-19, 1.127208166497432e-19, 9.67453532144658e-21, -1.2085971373279978e-19, -2.82970028390544e-19, -4.77062512363206e-19, -7.178488321571639e-19, -1.0440888449021459e-18, -1.517592922961238e-18, -2.23654245046596e-18, -3.46292855496126e-18, -5.8276451361472196e-18, -1.1163694415684217e-17]
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: -5.87828410947289e-10 eV

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

Energy: 0.010324813043933666
Energy: 0.011054811516535437
Energy: 0.324977945942968
Energy: 0.011054811516535437
Energy: 0.011054811516035719
Energy: 0.4017504290070713
Energy: 0.011054811516535437
Energy: 0.401750429007571
Energy: 0.324977945942968
Energy: 0.011054811516035719
Energy: 0.010324813043933666
Energy: 0.05086698470196509
Energy: 0.011054811516035719
Energy: 0.401750429007571
Energy: 0.05086698470196509
Energy: 0.4017504290070713

minimum gb energy = 0.010324813043933666 eV
minimum distance =  2.8285021161378 Angstroms
sigma value = 1


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

Energy: 0.6658226546860123
Energy: 0.4748615128671294
Energy: 0.5224579780214038
Energy: 0.47486151286773537
Energy: 0.47178673116562725
Energy: 0.5119416156667814
Energy: 0.4741531753363064
Energy: 0.5119416156673876
Energy: 0.5216486613534735
Energy: 0.5213295125021272
Energy: 0.728340414252281
Energy: 0.5213295125021272
Energy: 0.4740700011750741
Energy: 0.47287606761516665
Energy: 0.474020977232376
Energy: 0.47287606761516665
Energy: 0.6203781868888115
Energy: 0.4733095426130456
Energy: 0.4746888584579172
Energy: 0.4733095426130456
Energy: 0.49557448890686323
Energy: 0.4812582173061008
Energy: 0.48237589474052656
Energy: 0.4812582173061008
Energy: 0.49238977075487966
Energy: 0.5007797412020519
Energy: 0.6187450709186326
Energy: 0.5007797412020519
Energy: 0.4902397628593971
Energy: 0.4887077037355706
Energy: 0.5135101300178533
Energy: 0.4887077037355706
Energy: 0.5408161548133062
Energy: 0.5205509599966204
Energy: 0.5054471599228343
Energy: 0.5205509599966204
Energy: 0.5106852560828309
Energy: 0.5138332979538142
Energy: 0.4895709774976352
Energy: 0.5138332979538142
Energy: 0.487947870827627
Energy: 0.5204317304007313
Energy: 0.5405511861610811
Energy: 0.5204317304001254
Energy: 0.48994123122015865
Energy: 0.5220060850259102
Energy: 0.5128720388810649
Energy: 0.5220060850253042
Energy: 0.49027077011635434
Energy: 0.5004797222338179
Energy: 0.48539998923542005
Energy: 0.5004797222338179
Energy: 0.4959393565536014
Energy: 0.4991936809522848
Energy: 0.4982154102788616
Energy: 0.49919368095167876
Energy: 0.48474332912402107
Energy: 0.4727829888287993
Energy: 0.4729491561989422
Energy: 0.4727829888287993
Energy: 0.49273379952358903
Energy: 0.4732816109511354
Energy: 0.47262617918642674
Energy: 0.4732816109511354
Energy: 0.5220525911344585
Energy: 0.5218695831086975
Energy: 0.4758742990568404
Energy: 0.5218695831086975
Energy: 0.4737538602178979
Energy: 0.475378903622606
Energy: 0.471673267249175
Energy: 0.475378903622606
Energy: 0.4816341297767554
Energy: 0.5215186676210554
Energy: 0.5232110666052993
Energy: 0.5215186676222675
Energy: 0.494518740494238
Energy: 0.4748412175244293
Energy: 0.47477788073207533
Energy: 0.4748412175250354
Energy: 0.4751001803316695
Energy: 0.47348487485627916
Energy: 0.4878678238518512
Energy: 0.47348487485627916
Energy: 0.4817987929869517
Energy: 0.4747574762648566
Energy: 0.494998524402589
Energy: 0.4747574762648566
Energy: 0.4876685587952505
Energy: 0.5008932527801382
Energy: 0.4934310583249064
Energy: 0.5008932527801382
Energy: 0.5121660899637165
Energy: 0.4988181291539535
Energy: 0.48969577177180945
Energy: 0.4988181291551656
Energy: 0.505665233510844
Energy: 0.5216612878108005
Energy: 0.5410948532508675
Energy: 0.5216612878101944
Energy: 0.49041917762709314
Energy: 0.5201038113784469
Energy: 0.5115248352519033
Energy: 0.5201038113784469
Energy: 0.5409703758996296
Energy: 0.5213726466099432
Energy: 0.4876564168571024
Energy: 0.5213726466099432
Energy: 0.5113878198249346
Energy: 0.521045326550714
Energy: 0.48903259470634475
Energy: 0.5210453265501078
Energy: 0.485340681713291
Energy: 0.5007192863164984
Energy: 0.4900813685056779
Energy: 0.5007192863164984
Energy: 0.49806967969072735
Energy: 0.500534276563351
Energy: 0.49594709968321005
Energy: 0.5005342765639572
Energy: 0.47235079880294756
Energy: 0.4728382169250628
Energy: 0.485182246830956
Energy: 0.4728382169250628
Energy: 0.47287075818219837
Energy: 0.47265794988752874
Energy: 0.4924592542403251
Energy: 0.47265794988752874
Energy: 0.47621233022306797
Energy: 0.5246517215641323
Energy: 0.5225765835561008
Energy: 0.5246517215641323

minimum gb energy = 0.471673267249175 eV
minimum distance =  2.59116350372497 Angstroms
sigma value = 1


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

Energy: 0.7650038723864666
Energy: 0.4889666063506873
Energy: 0.5411460184402664
Energy: 0.4889666063506873
Energy: 0.48982566339061984
Energy: 0.5291534842299486
Energy: 0.4886522742123307
Energy: 0.5291534842306397
Energy: 0.5422038167941997
Energy: 0.5416375592832254
Energy: 0.6996073037544
Energy: 0.5416375592839164
Energy: 0.49076418967497437
Energy: 0.5472068464762604
Energy: 0.48855706479855343
Energy: 0.5472068464769513
Energy: 0.499724962236378
Energy: 0.48905995895091753
Energy: 0.48868725205653496
Energy: 0.48905995895160853
Energy: 0.516825333202317
Energy: 0.49741516059073165
Energy: 0.49696790055492124
Energy: 0.49741516059073165
Energy: 0.5154077588624886
Energy: 0.5242495290185754
Energy: 0.5867829048854859
Energy: 0.5242495290192662
Energy: 0.5047592367476228
Energy: 0.531900260198907
Energy: 0.5323289724089103
Energy: 0.5319002601995979
Energy: 0.586450207144047
Energy: 0.5467733719286713
Energy: 0.5405491955519965
Energy: 0.5467733719293623
Energy: 0.5327107176837725
Energy: 0.5415554155957123
Energy: 0.5059470524239236
Energy: 0.5415554155964033
Energy: 0.5037412894837482
Energy: 0.5228042247619071
Energy: 0.5160403295695413
Energy: 0.5228042247619071
Energy: 0.5178411105131091
Energy: 0.5229808697884973
Energy: 0.5166196620413824
Energy: 0.5229808697884973
Energy: 0.48896259084314425
Energy: 0.48842593308392185
Energy: 0.5029813057354311
Energy: 0.4884259330846128
Energy: 0.4883571852819398
Energy: 0.4883858033374152
Energy: 0.5094631361796573
Energy: 0.4883858033374152
Energy: 0.48595480489474124
Energy: 0.5464830466530131
Energy: 0.5423274196205846
Energy: 0.5464830466530131
Energy: 0.49008855313752436
Energy: 0.49084585005572645
Energy: 0.48841183629244406
Energy: 0.49084585005572645
Energy: 0.5426224691515549
Energy: 0.5413871828053398
Energy: 0.49928325014696967
Energy: 0.5413871828053398
Energy: 0.4904257549474698
Energy: 0.4900433519227538
Energy: 0.5168840292749317
Energy: 0.4900433519227538
Energy: 0.4990918899273973
Energy: 0.48786786105826563
Energy: 0.4901111268583227
Energy: 0.48786786105826563
Energy: 0.516977555353017
Energy: 0.4894724634108519
Energy: 0.49852797361670675
Energy: 0.4894724634108519
Energy: 0.5162253654249332
Energy: 0.522177844659436
Energy: 0.5865140089307163
Energy: 0.522177844659436
Energy: 0.5046318067981295
Energy: 0.5222669587716846
Energy: 0.5334074262373979
Energy: 0.5222669587716846
Energy: 0.5869439947268529
Energy: 0.546093115535741
Energy: 0.5404268842311943
Energy: 0.546093115535741
Energy: 0.5326291165185385
Energy: 0.5462556118435699
Energy: 0.5058649578200888
Energy: 0.5462556118442609
Energy: 0.5034535412184554
Energy: 0.5228189179886719
Energy: 0.5157816263567625
Energy: 0.5228189179886719
Energy: 0.5171628102915247
Energy: 0.5230784167349312
Energy: 0.5163953410386769
Energy: 0.5230784167349312
Energy: 0.48834994050209635
Energy: 0.4886126496476845
Energy: 0.5028291230014582
Energy: 0.4886126496476845
Energy: 0.48859445415522834
Energy: 0.48818432211571494
Energy: 0.5098551921267888
Energy: 0.48818432211571494
Energy: 0.4856898147562602
Energy: 0.5464255364107139
Energy: 0.5409986005455948
Energy: 0.5464255364100229

minimum gb energy = 0.4856898147562602 eV
minimum distance =  2.58939068192571 Angstroms
sigma value = 25


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

Energy: 0.7294108352660506
Energy: 0.5004111453928394
Energy: 0.5610371335091294
Energy: 0.5004111453928394
Energy: 0.5125389029784955
Energy: 0.5439850925480473
Energy: 0.5037567532400745
Energy: 0.5439850925480473
Energy: 0.5606858412587538
Energy: 0.5614909884830019
Energy: 0.659978772782846
Energy: 0.5614909884830019
Energy: 0.507070628411901
Energy: 0.5439563923579822
Energy: 0.5043304165853123
Energy: 0.5439563923579822
Energy: 0.5117819106417721
Energy: 0.503482409848641
Energy: 0.5049075116459147
Energy: 0.503482409848641
Energy: 0.5400974988753068
Energy: 0.5048364445508982
Energy: 0.512579190028202
Energy: 0.5048364445508982
Energy: 0.5487239838834532
Energy: 0.5504037223862493
Energy: 0.5505522391783306
Energy: 0.5504037223862493
Energy: 0.523310490256002
Energy: 0.561064654829087
Energy: 0.5546166856341972
Energy: 0.561064654829087
Energy: 0.5513516152487692
Energy: 0.5506821871367785
Energy: 0.5882033473160346
Energy: 0.5506821871367785
Energy: 0.5399904051548191
Energy: 0.5505487680830329
Energy: 0.5122302924241972
Energy: 0.5505487680830329
Energy: 0.49602059544756016
Energy: 0.5039172673595121
Energy: 0.5050520455422591
Energy: 0.5039172673595121
Energy: 0.5262477376024451
Energy: 0.5037319556763976
Energy: 0.503902619999899
Energy: 0.503731955677201
Energy: 0.560310949061356
Energy: 0.5699942100250361
Energy: 0.4965475945297243
Energy: 0.5699942100250361
Energy: 0.5042378738725865
Energy: 0.5068539224711495
Energy: 0.5103619194078766
Energy: 0.5068539224711495
Energy: 0.5167292389410337
Energy: 0.561381095698881
Energy: 0.5624171633395052
Energy: 0.561381095698881
Energy: 0.5395114115028301
Energy: 0.5666455902817183
Energy: 0.5076623400377723
Energy: 0.5666455902833247
Energy: 0.5047387122198701
Energy: 0.5036309507877441
Energy: 0.5143170089550987
Energy: 0.5036309507877441
Energy: 0.5045596166761522
Energy: 0.5043519018155618
Energy: 0.5391835529439969
Energy: 0.5043519018155618
Energy: 0.5505975327708407
Energy: 0.5504342110463606
Energy: 0.5256940685666701
Energy: 0.5504342110463606
Energy: 0.555815188310566
Energy: 0.5504467724481369
Energy: 0.525929887349037
Energy: 0.5504467724489401
Energy: 0.5835880543754314
Energy: 0.5505467774645736
Energy: 0.5512886431453604
Energy: 0.5505467774645736
Energy: 0.5214170248450654
Energy: 0.5519861523128003
Energy: 0.5400945787909451
Energy: 0.5519861523128003
Energy: 0.5045258782637302
Energy: 0.5035424726685644
Energy: 0.496298012848486
Energy: 0.5035424726685644
Energy: 0.5038101324990786
Energy: 0.5043553066974049
Energy: 0.5264023560538091
Energy: 0.5043553066974049
Energy: 0.49603974459953815
Energy: 0.5683958492765863
Energy: 0.5612287047727511
Energy: 0.5683958492765863

minimum gb energy = 0.49602059544756016 eV
minimum distance =  2.59029762894799 Angstroms
sigma value = 9


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

Energy: 0.7344731960966007
Energy: 0.5450915373809737
Energy: 0.5925029913437083
Energy: 0.5450915373809737
Energy: 0.5350179911515934
Energy: 0.5678390679494542
Energy: 0.5380156262785164
Energy: 0.5678390679484959
Energy: 0.5930426607037516
Energy: 0.5927038576248336
Energy: 0.5361370636043771
Energy: 0.5927038576248336
Energy: 0.5401179130436999
Energy: 0.5674138087615046
Energy: 0.5389801212157294
Energy: 0.5674138087615046
Energy: 0.6434648611125797
Energy: 0.5378346062520759
Energy: 0.5392721624296345
Energy: 0.5378346062520759
Energy: 0.5890156948883757
Energy: 0.5385715490166174
Energy: 0.5410374008629983
Energy: 0.5385715490166174
Energy: 0.5745660989099011
Energy: 0.5900607210771985
Energy: 0.5407978758041163
Energy: 0.5900607210771985
Energy: 0.5609299798466999
Energy: 0.5933509742673342
Energy: 0.583405557196135
Energy: 0.5933509742673342
Energy: 0.5683999633203258
Energy: 0.5685947764655407
Energy: 0.5252344155340816
Energy: 0.5685947764655407
Energy: 0.5401401946676159
Energy: 0.5442171117221386
Energy: 0.5253026921124473
Energy: 0.5442171117211803
Energy: 0.499315327812333
Energy: 0.5103380179401606
Energy: 0.5106097694325911
Energy: 0.5103380179401606
Energy: 0.5404115841322256
Energy: 0.49987385470843543
Energy: 0.5103935853491491
Energy: 0.49987385470843543
Energy: 0.6260475576134523
Energy: 0.6240108801528973
Energy: 0.5362184777274603
Energy: 0.6240108801528973
Energy: 0.5436797956802756
Energy: 0.5822068883007083
Energy: 0.5781677664346274
Energy: 0.5822068883007083
Energy: 0.5139550968549692
Energy: 0.5522080307668713
Energy: 0.5434848767405248
Energy: 0.5522080307668713
Energy: 0.5890670320845641
Energy: 0.552681524886221
Energy: 0.5411681966666316
Energy: 0.552681524886221
Energy: 0.5547319631847375
Energy: 0.5928879491133933
Energy: 0.5562998811234144
Energy: 0.5928879491133933
Energy: 0.5548416422422916
Energy: 0.5956548735428732
Energy: 0.5820567354328402
Energy: 0.5956548735428732
Energy: 0.5351942052605557
Energy: 0.5353997491521846
Energy: 0.5249782520901929
Energy: 0.5353997491521846
Energy: 0.5356390256930624
Energy: 0.5403044895234839
Energy: 0.5255343771897059
Energy: 0.5403044895244422
Energy: 0.5131793720756853
Energy: 0.5915844524090821
Energy: 0.5913752257030549
Energy: 0.5915844524090821

minimum gb energy = 0.499315327812333 eV
minimum distance =  2.55247085717604 Angstroms
sigma value = 25


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

Energy: 0.5999951311915735
Energy: 0.5063384540347046
Energy: 0.5938553593071426
Energy: 0.5063384540347046
Energy: 0.5001890261078458
Energy: 0.5396496465533364
Energy: 0.5514870371687036
Energy: 0.5396496465533364
Energy: 0.5930251059625279
Energy: 0.5926873501844289
Energy: 0.6242902492083805
Energy: 0.592687350185614
Energy: 0.5017649900393208
Energy: 0.539694874372398
Energy: 0.5512949849209343
Energy: 0.539694874372398
Energy: 0.5496053992836819
Energy: 0.5826436403641951
Energy: 0.5523683317787522
Energy: 0.5826436403641951
Energy: 0.5660173529921535
Energy: 0.551517610504927
Energy: 0.5161443458498043
Energy: 0.551517610506112
Energy: 0.5995948022065837
Energy: 0.5809066914326715
Energy: 0.5502835232612223
Energy: 0.5809066914326715
Energy: 0.5000222062041664
Energy: 0.5810158916352006
Energy: 0.5160669403470384
Energy: 0.5810158916352006
Energy: 0.5927519776039931
Energy: 0.5934576071990085
Energy: 0.6280827524474613
Energy: 0.5934576071978236
Energy: 0.5926059842487122
Energy: 0.501931245259695
Energy: 0.500521939868618
Energy: 0.501931245259695
Energy: 0.6240384570776829
Energy: 0.5929195104213829
Energy: 0.5943929109877523
Energy: 0.5929195104213829
Energy: 0.564816540637385
Energy: 0.5398917594763507
Energy: 0.5018707179440041
Energy: 0.5398917594763507
Energy: 0.5167093844228159
Energy: 0.5826350133874009
Energy: 0.549798628721346
Energy: 0.5826350133874009
Energy: 0.5528697264943874
Energy: 0.5521451234993842
Energy: 0.5649961178440542
Energy: 0.5521451234993842
Energy: 0.5503411817831498
Energy: 0.5819742109424323
Energy: 0.6036320530550071
Energy: 0.5819742109424323
Energy: 0.516009749351676
Energy: 0.5875945253162322
Energy: 0.6019630629984842
Energy: 0.5875945253162322
Energy: 0.6276485154440783
Energy: 0.6038570794578948
Energy: 0.6048528121215484
Energy: 0.6038570794578948

minimum gb energy = 0.5000222062041664 eV
minimum distance =  2.57323138381084 Angstroms
sigma value = 17


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

Energy: 0.8330578800072996
Energy: 0.6027767232137453
Energy: 0.656584951871881
Energy: 0.6027767232137453
Energy: 0.5672183524781219
Energy: 0.5451355115979287
Energy: 0.6453927536721736
Energy: 0.5451355115972575
Energy: 0.5605438494570243
Energy: 0.5597939331036559
Energy: 0.6221248065947407
Energy: 0.5597939331036559
Energy: 0.5439527089541747
Energy: 0.5442991407752379
Energy: 0.5946697170454155
Energy: 0.5442991407745668
Energy: 0.6240776104980367
Energy: 0.5971204403250514
Energy: 0.5739847840513809
Energy: 0.5971204403257224
Energy: 0.595410957883487
Energy: 0.6000211045722029
Energy: 0.5821692552187743
Energy: 0.6000211045715317
Energy: 0.6692451550066669
Energy: 0.5589688619861571
Energy: 0.5607733940743738
Energy: 0.5589688619861571
Energy: 0.6747354390039448
Energy: 0.5590026909333655
Energy: 0.557080627041056
Energy: 0.5590026909326945
Energy: 0.6624015300461236
Energy: 0.6575525104439243
Energy: 0.6264321890320153
Energy: 0.6575525104439243
Energy: 0.6689473649183653
Energy: 0.6227802502781176
Energy: 0.6417459397985569
Energy: 0.6227802502787888
Energy: 0.6234494625467709
Energy: 0.5427175527673337
Energy: 0.5432963536297101
Energy: 0.5427175527673337
Energy: 0.6234793368547173
Energy: 0.5423022428179919
Energy: 0.543067283387025
Energy: 0.5423022428179919
Energy: 0.5727350049976312
Energy: 0.5424267488692209
Energy: 0.5424079405676515
Energy: 0.5424267488692209
Energy: 0.668093830750281
Energy: 0.5483152409568468
Energy: 0.5425222499731016
Energy: 0.5483152409575179
Energy: 0.6605953271717875
Energy: 0.6591504417440882
Energy: 0.675051325995217
Energy: 0.6591504417447592
Energy: 0.6568055329833613
Energy: 0.6593658193378618
Energy: 0.6738421008635676
Energy: 0.6593658193378618
Energy: 0.6238180031304084
Energy: 0.5594726599143619
Energy: 0.5597536022055698
Energy: 0.5594726599143619
Energy: 0.6238915430805826
Energy: 0.5587175367050184
Energy: 0.55990716218863
Energy: 0.5587175367050184
Energy: 0.5836152207643501
Energy: 0.6013543792247227
Energy: 0.5847300147262411
Energy: 0.6013543792267362
Energy: 0.5696110272025442
Energy: 0.5979277720286086
Energy: 0.5830286541392975
Energy: 0.5979277720292797
Energy: 0.5603476881776115
Energy: 0.5436875096278642
Energy: 0.6776897857811186
Energy: 0.5436875096285352
Energy: 0.5602749958265234
Energy: 0.5601494107401851
Energy: 0.5720463471917508
Energy: 0.5601494107401851
Energy: 0.6465114814510753
Energy: 0.6247576426666022
Energy: 0.6594196842416001
Energy: 0.6247576426666022
Energy: 0.6214566496279633
Energy: 0.6592821227783986
Energy: 0.6601279783313526
Energy: 0.6592821227783986
Energy: 0.5275010367863877
Energy: 0.5436033723637672
Energy: 0.6246391857585224
Energy: 0.5436033723637672
Energy: 0.5428796461995226
Energy: 0.5429316778499679
Energy: 0.6219464742580675
Energy: 0.5429316778492967
Energy: 0.5251043184700978
Energy: 0.5793011737413254
Energy: 0.624089420248383
Energy: 0.5793011737413254
Energy: 0.5460078709313816
Energy: 0.5427458041251022
Energy: 0.6740465410704022
Energy: 0.5427458041251022
Energy: 0.5267418334116994
Energy: 0.5763336195397869
Energy: 0.573065973660403
Energy: 0.5763336195391157
Energy: 0.672945977605828
Energy: 0.6590771307967003
Energy: 0.6563664303155415
Energy: 0.6590771307967003

minimum gb energy = 0.5251043184700978 eV
minimum distance =  2.55994861052138 Angstroms
sigma value = 53


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

Energy: 0.7514348638492744
Energy: 0.488786124541078
Energy: 0.5986648681052378
Energy: 0.48878612453953285
Energy: 0.695036311667351
Energy: 0.5144336404398576
Energy: 0.5968301734286093
Energy: 0.5144336404398576
Energy: 0.5974874011510916
Energy: 0.5965024771683998
Energy: 0.5913736438027618
Energy: 0.596502477169945
Energy: 0.5878689058516468
Energy: 0.5131243043308907
Energy: 0.5785457792435656
Energy: 0.5131243043293456
Energy: 0.5929202897342021
Energy: 0.5126645540905664
Energy: 0.47726135987242135
Energy: 0.5126645540905664
Energy: 0.5777109856605517
Energy: 0.5139251538996809
Energy: 0.4774686636382616
Energy: 0.5139251538996809
Energy: 0.6900970537628248
Energy: 0.5953032655542394
Energy: 0.5965684707714264
Energy: 0.5953032655557846
Energy: 0.6931082705021847
Energy: 0.5953347149022432
Energy: 0.6112049898969205
Energy: 0.5953347149022432
Energy: 0.5971735589988653
Energy: 0.5965362234133464
Energy: 0.5908805911152595
Energy: 0.5965362234133464
Energy: 0.5906925378159534
Energy: 0.5785840816087348
Energy: 0.5867451885273613
Energy: 0.5785840816087348
Energy: 0.5936989097906948
Energy: 0.5127783161902326
Energy: 0.4777899372161734
Energy: 0.5127783161917777
Energy: 0.5877884384444976
Energy: 0.5127437740804486
Energy: 0.48013460046380135
Energy: 0.5127437740804486
Energy: 0.6936531352423428
Energy: 0.5949632905461478
Energy: 0.5959720974697853
Energy: 0.5949632905461478

minimum gb energy = 0.47726135987242135 eV
minimum distance =  2.58822614321401 Angstroms
sigma value = 9


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

Energy: 0.7363777328841827
Energy: 0.6319326398027019
Energy: 0.687579335710271
Energy: 0.6319326398027019
Energy: 0.6417434653807864
Energy: 0.5361094246122712
Energy: 0.6883449279433561
Energy: 0.5361094246122712
Energy: 0.5361465846827068
Energy: 0.5360536905263548
Energy: 0.6679067040032155
Energy: 0.5360536905263548
Energy: 0.5386479780911361
Energy: 0.5357412736445113
Energy: 0.7057556428997822
Energy: 0.5357412736445113
Energy: 0.537299233180668
Energy: 0.5350588973629925
Energy: 0.7097412339169618
Energy: 0.5350588973629925
Energy: 0.590755228380582
Energy: 0.5356619930626954
Energy: 0.7081893061544399
Energy: 0.5356619930621235
Energy: 0.7002772771941891
Energy: 0.6743825630271744
Energy: 0.6876507930837565
Energy: 0.6743825630271744
Energy: 0.6885590237329532
Energy: 0.6635836670416205
Energy: 0.6754248358676228
Energy: 0.6635836670416205
Energy: 0.5807680257710185
Energy: 0.60197377601867
Energy: 0.5738744227999665
Energy: 0.60197377601867
Energy: 0.5262299418532073
Energy: 0.5754927522921359
Energy: 0.6641838775719451
Energy: 0.5754927522927078
Energy: 0.5849425204329903
Energy: 0.5816374953919138
Energy: 0.6198116880506056
Energy: 0.5816374953919138
Energy: 0.5822087697341426
Energy: 0.5822812569381259
Energy: 0.7118753672907204
Energy: 0.5822812569381259
Energy: 0.701311303815473
Energy: 0.5816144697587097
Energy: 0.6394572952034744
Energy: 0.5816144697587097
Energy: 0.7022449530824234
Energy: 0.5819166452179227
Energy: 0.5880725985047213
Energy: 0.5819166452179227
Energy: 0.6668173836986397
Energy: 0.5753007544219171
Energy: 0.5782483632357666
Energy: 0.5753007544219171
Energy: 0.6199259870891614
Energy: 0.6170744237721667
Energy: 0.5795975728982545
Energy: 0.6170744237721667
Energy: 0.6693159523269537
Energy: 0.6006432784469956
Energy: 0.5935914276958885
Energy: 0.60064327844528
Energy: 0.6863566889274623
Energy: 0.6757102115229907
Energy: 0.7343147826777868
Energy: 0.6757102115229907
Energy: 0.6912975724233222
Energy: 0.5355280351455809
Energy: 0.6409719794483077
Energy: 0.5355280351450089
Energy: 0.6775586155737399
Energy: 0.5361195187369343
Energy: 0.5361326018540296
Energy: 0.5361195187369343
Energy: 0.704809024547993
Energy: 0.53559832761708
Energy: 0.5394027980388699
Energy: 0.53559832761708
Energy: 0.7082515154364205
Energy: 0.5351152917640208
Energy: 0.5359622006426985
Energy: 0.5351152917634491
Energy: 0.7094179923626451
Energy: 0.5356301263548058
Energy: 0.55385787236043
Energy: 0.5356301263565213
Energy: 0.6894228693653259
Energy: 0.6699370021271295
Energy: 0.7030064522430574
Energy: 0.6699370021271295
Energy: 0.676511284712102
Energy: 0.6689560073542887
Energy: 0.7022375915662246
Energy: 0.6689560073542887
Energy: 0.5747135021395396
Energy: 0.6309973353675629
Energy: 0.5814477830435995
Energy: 0.6309973353681348
Energy: 0.6687184271323081
Energy: 0.575235936771242
Energy: 0.5257440413526596
Energy: 0.5752359367706701
Energy: 0.6586166378108446
Energy: 0.5809846524462051
Energy: 0.5856051255803126
Energy: 0.5809846524462051
Energy: 0.7134979855430249
Energy: 0.5824677837625434
Energy: 0.5848752008318336
Energy: 0.5824677837613997
Energy: 0.6379577755210698
Energy: 0.5807382255910347
Energy: 0.701506893378104
Energy: 0.5807382255910347
Energy: 0.5857298102921592
Energy: 0.5824669851519509
Energy: 0.6671041207582149
Energy: 0.5824669851519509
Energy: 0.5876067334101815
Energy: 0.5765448788181651
Energy: 0.654158480788501
Energy: 0.5765448788175932
Energy: 0.5774267412976095
Energy: 0.6167309115716821
Energy: 0.6206516700507827
Energy: 0.6167309115711103
Energy: 0.5831759186812888
Energy: 0.5996760859580259
Energy: 0.6260196288972185
Energy: 0.5996760859580259
Energy: 0.7126605945392738
Energy: 0.6717519355093446
Energy: 0.6796586573111022
Energy: 0.6717519355093446

minimum gb energy = 0.5257440413526596 eV
minimum distance =  2.58099106413126 Angstroms
sigma value = 73


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

Energy: 0.7946094363670619
Energy: 0.6084237978455879
Energy: 0.6582444197066716
Energy: 0.6084237978455879
Energy: 0.599253910207364
Energy: 0.5509654520902327
Energy: 0.6572110155801439
Energy: 0.5509654520893252
Energy: 0.5509091952106488
Energy: 0.5511200393699118
Energy: 0.6474221771819395
Energy: 0.5511200393699118
Energy: 0.5508117947477343
Energy: 0.5463591199932573
Energy: 0.7105422575949072
Energy: 0.5463591199941646
Energy: 0.5536175386176578
Energy: 0.5520785344090264
Energy: 0.6908866763724458
Energy: 0.5520785344090264
Energy: 0.5998715263161175
Energy: 0.5516895051200197
Energy: 0.6910452783768278
Energy: 0.5516895051200197
Energy: 0.6307610082619839
Energy: 0.6514471163574428
Energy: 0.6746723294553051
Energy: 0.6514471163574428
Energy: 0.6309771235704249
Energy: 0.6442312306358651
Energy: 0.6523960944906178
Energy: 0.6442312306358651
Energy: 0.5947230284243775
Energy: 0.6126876495709993
Energy: 0.6531932118138729
Energy: 0.6126876495709993
Energy: 0.5669475163286285
Energy: 0.6103967879413499
Energy: 0.6530902084316479
Energy: 0.6103967879413499
Energy: 0.5860938105674797
Energy: 0.5514901099924707
Energy: 0.5513329874654408
Energy: 0.5514901099924707
Energy: 0.5859901102890069
Energy: 0.5866927939326987
Energy: 0.6776648351717856
Energy: 0.5866927939326987
Energy: 0.6570098045010264
Energy: 0.5514175861553772
Energy: 0.5859111217103492
Energy: 0.5514175861553772
Energy: 0.6465135053649294
Energy: 0.5865410100167835
Energy: 0.5887436510872567
Energy: 0.5865410100167835
Energy: 0.6674965523438536
Energy: 0.5651410907575897
Energy: 0.5641085505410454
Energy: 0.5651410907575897
Energy: 0.6911195650450302
Energy: 0.5659451202432787
Energy: 0.5644410713175164
Energy: 0.5659451202432787
Energy: 0.6952294736179971
Energy: 0.564223792725335
Energy: 0.6322829531732524
Energy: 0.564223792725335
Energy: 0.6584219199932706
Energy: 0.6593948278228586
Energy: 0.6321440742644394
Energy: 0.6593948278228586
Energy: 0.6381239270935329
Energy: 0.6323486798655791
Energy: 0.6307409587092274
Energy: 0.6323486798655791
Energy: 0.6194955972308824
Energy: 0.5786847784837771
Energy: 0.6234043305818164
Energy: 0.5786847784837771
Energy: 0.6385491786184215
Energy: 0.6004948067412426
Energy: 0.5685835397361473
Energy: 0.6004948067412426
Energy: 0.69644593926337
Energy: 0.635703458219017
Energy: 0.6416360353460755
Energy: 0.635703458219017

minimum gb energy = 0.5463591199932573 eV
minimum distance =  2.56803954956936 Angstroms
sigma value = 7


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

Energy: 0.9497161986848576
Energy: 0.5998952857998023
Energy: 0.6697731604721865
Energy: 0.5998952857978774
Energy: 0.6861845444467838
Energy: 0.6065745639407141
Energy: 0.6981433289204115
Energy: 0.6065745639400726
Energy: 0.5472890157590319
Energy: 0.5459955018341602
Energy: 0.6034401136149297
Energy: 0.5459955018341602
Energy: 0.548301448697752
Energy: 0.5462269937706143
Energy: 0.6563389446022267
Energy: 0.5462269937699727
Energy: 0.5709336126047139
Energy: 0.5670527407314387
Energy: 0.6596312509029595
Energy: 0.5670527407314387
Energy: 0.5682050519444675
Energy: 0.5670935234097214
Energy: 0.6601845569996566
Energy: 0.5670935234097214
Energy: 0.6898278453732245
Energy: 0.5676121018614211
Energy: 0.5675432838014128
Energy: 0.5676121018614211
Energy: 0.6869252122754821
Energy: 0.5673942765973808
Energy: 0.5677515417003369
Energy: 0.5673942765973808
Energy: 0.7036319252379095
Energy: 0.5458725879070034
Energy: 0.5460217769883126
Energy: 0.5458725879076448
Energy: 0.664826368350992
Energy: 0.5462260413392084
Energy: 0.5455864442839086
Energy: 0.5462260413398498
Energy: 0.6956018788860577
Energy: 0.6271090780623291
Energy: 0.6873514371699492
Energy: 0.6271090780623291
Energy: 0.6387934850322822
Energy: 0.6395181197764258
Energy: 0.6885012852476778
Energy: 0.6395181197764258
Energy: 0.6274742862209974
Energy: 0.5740465622162053
Energy: 0.638836280511221
Energy: 0.5740465622162053
Energy: 0.6059555948588934
Energy: 0.5730038999130372
Energy: 0.5483056379875582
Energy: 0.5730038999130372
Energy: 0.6437048998286486
Energy: 0.5741789631451311
Energy: 0.5757240982258675
Energy: 0.5741789631451311
Energy: 0.5863272340039524
Energy: 0.6390749760905649
Energy: 0.6398098907635161
Energy: 0.6390749760905649
Energy: 0.587602916322057
Energy: 0.6292801822406215
Energy: 0.6561938679094039
Energy: 0.6292801822406215
Energy: 0.5748472053531308
Energy: 0.5458178904401974
Energy: 0.6044795098169746
Energy: 0.5458178904401974
Energy: 0.5468188919213425
Energy: 0.5454526286332808
Energy: 0.6980736195092289
Energy: 0.5454526286332808
Energy: 0.5671732486679252
Energy: 0.5671771792131379
Energy: 0.591849530430352
Energy: 0.5671771792137795
Energy: 0.5689758452935211
Energy: 0.5674766341480376
Energy: 0.6600503911739083
Energy: 0.5674766341486792
Energy: 0.6880435333927192
Energy: 0.5676241558306259
Energy: 0.5680076501497984
Energy: 0.5676241558312675
Energy: 0.687261893429293
Energy: 0.5678223998686293
Energy: 0.5683484740856685
Energy: 0.5678223998692709
Energy: 0.6938373714833546
Energy: 0.5460139307470971
Energy: 0.5481180275347285
Energy: 0.5460139307470971
Energy: 0.6628176272913137
Energy: 0.5461832643693474
Energy: 0.5453419251463896
Energy: 0.5461832643693474
Energy: 0.6857212850077657
Energy: 0.606374477300697
Energy: 0.6384676696387199
Energy: 0.6063744773000554
Energy: 0.670544850263066
Energy: 0.6668913885942335
Energy: 0.8070901922474235
Energy: 0.6668913885942335
Energy: 0.6344033343288151
Energy: 0.6280452349897382
Energy: 0.6385179662641105
Energy: 0.6280452349897382
Energy: 0.604593593029804
Energy: 0.5739061556372635
Energy: 0.6163178929743572
Energy: 0.5739061556372635
Energy: 0.6409904748082758
Energy: 0.5767753134856134
Energy: 0.5480718578915103
Energy: 0.5767753134856134
Energy: 0.5914729452934373
Energy: 0.6390158817461752
Energy: 0.6415770636617271
Energy: 0.6390158817461752

minimum gb energy = 0.5453419251463896 eV
minimum distance =  2.57557692158458 Angstroms
sigma value = 29


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

Energy: 0.5013936897925239
Energy: 0.5028139221678959
Energy: 0.6262340470209545
Energy: 0.5028139221681193
Energy: 0.5838469652030408
Energy: 0.5816456275046799
Energy: 0.5909171463452589
Energy: 0.5816456275040344
Energy: 0.5924942711932432
Energy: 0.5874619339966246
Energy: 0.5444093739990773
Energy: 0.5874619339966246
Energy: 0.550640807687017
Energy: 0.5119162215535692
Energy: 0.5911011557300642
Energy: 0.5119162215540163
Energy: 0.5514919032359642
Energy: 0.5471269627979254
Energy: 0.5021455832464389
Energy: 0.5471269628001105
Energy: 0.590786454195858
Energy: 0.5874376692171808
Energy: 0.5021062568183504
Energy: 0.5874376692171808
Energy: 0.5460291290848397
Energy: 0.5886147022258759
Energy: 0.5916017842555086
Energy: 0.588614702226323
Energy: 0.5908509739315577
Energy: 0.5150285724358172
Energy: 0.584737134108441
Energy: 0.5150285724369097
Energy: 0.5836428582036784
Energy: 0.5457388297929612
Energy: 0.5463916695187263
Energy: 0.5457388297877218

minimum gb energy = 0.5013936897925239 eV
minimum distance =  2.58411597235788 Angstroms
sigma value = 5


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

Energy: 0.7203914982847709
Energy: 0.5083311796621824
Energy: 0.6346944426932886
Energy: 0.5083311796627884
Energy: 0.627936364497542
Energy: 0.5171605287748535
Energy: 0.6159885447539437
Energy: 0.5171605287748535
Energy: 0.6152425450487629
Energy: 0.5577678188104749
Energy: 0.6070931144747168
Energy: 0.5577678188104749
Energy: 0.5303808724936195
Energy: 0.5163261399452006
Energy: 0.6422406291385289
Energy: 0.5163261399439886
Energy: 0.6205109312383823
Energy: 0.5248669067265003
Energy: 0.6540470362494566
Energy: 0.5248669067271063
Energy: 0.5513423069054758
Energy: 0.525061354803583
Energy: 0.6544119143967858
Energy: 0.5250613548041891
Energy: 0.5169001253364941
Energy: 0.5163204536133831
Energy: 0.6462516463225935
Energy: 0.5163204536133831
Energy: 0.5197501669467238
Energy: 0.5173234409031146
Energy: 0.6852934895438161
Energy: 0.5173234409025361
Energy: 0.6000828093027284
Energy: 0.5991706176047968
Energy: 0.6896444828307886
Energy: 0.5991706176041908
Energy: 0.6231846327805791
Energy: 0.5042404203035854
Energy: 0.5179904723594911
Energy: 0.5042404203017673
Energy: 0.5988826980073696
Energy: 0.5038622023298206
Energy: 0.5054588553333553
Energy: 0.5038622023298206
Energy: 0.679942752188401
Energy: 0.5051767629124915
Energy: 0.5121274740411793
Energy: 0.5051767629118854
Energy: 0.683370923130275
Energy: 0.504058330611763
Energy: 0.6433216285133623
Energy: 0.504058330611763
Energy: 0.5976447745805016
Energy: 0.5281303017671916
Energy: 0.606476959913457
Energy: 0.5281303017684037
Energy: 0.5179369772522227
Energy: 0.5170484956189461
Energy: 0.6079410037324019
Energy: 0.5170484956189461
Energy: 0.5226067768370534
Energy: 0.5175502753742328
Energy: 0.6432823299009419
Energy: 0.5175502753742328
Energy: 0.516774784427237
Energy: 0.5169745281854581
Energy: 0.6206703699444835
Energy: 0.51697452818364
Energy: 0.6185833769350882
Energy: 0.517519583538447
Energy: 0.630446541206289
Energy: 0.517519583538447
Energy: 0.6078337220535825
Energy: 0.5589205597033011
Energy: 0.6173286669779542
Energy: 0.5589205597033011
Energy: 0.6459935086025999
Energy: 0.516560988891657
Energy: 0.528048061289469
Energy: 0.516560988891657
Energy: 0.6538748217969371
Energy: 0.5180032186972953
Energy: 0.6210671465428439
Energy: 0.5180032186972953
Energy: 0.6544127324684779
Energy: 0.5487038752421595
Energy: 0.5536207831855567
Energy: 0.5487038752421595
Energy: 0.6422611324655938
Energy: 0.5163700267203216
Energy: 0.5184694592330893
Energy: 0.5163700267209275
Energy: 0.684434769739006
Energy: 0.5172047764489329
Energy: 0.5200180718340734
Energy: 0.5172047764489329
Energy: 0.6896489001328948
Energy: 0.5375190417820355
Energy: 0.5984462999919355
Energy: 0.5375190417814294
Energy: 0.5204889359798386
Energy: 0.504264290715489
Energy: 0.6232156389682986
Energy: 0.5042642907130647
Energy: 0.5257677469891926
Energy: 0.5040524538375107
Energy: 0.6001570015876196
Energy: 0.5040524538375107
Energy: 0.5112241411708739
Energy: 0.5046800525645397
Energy: 0.6257432854942642
Energy: 0.5046800525651459
Energy: 0.6387414517662132
Energy: 0.504309614760244
Energy: 0.6847624926717075
Energy: 0.504309614759638
Energy: 0.6072833288516115
Energy: 0.5341228924140107
Energy: 0.5981680755926585
Energy: 0.5341228924152228
Energy: 0.6069436309785023
Energy: 0.5171371221132566
Energy: 0.5192286953960112
Energy: 0.5171371221138625
Energy: 0.6427745070347808
Energy: 0.5171447620632033
Energy: 0.519410437219836
Energy: 0.5171447620638094
Energy: 0.6206616019828188
Energy: 0.5172615650719167
Energy: 0.5520338616622218
Energy: 0.5172615650713106

minimum gb energy = 0.5038622023298206 eV
minimum distance =  2.5659382584649 Angstroms
sigma value = 1


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

Energy: 0.7694342004555249
Energy: 0.4875425928438333
Energy: 0.6221215980638554
Energy: 0.4875425928429953
Energy: 0.6207142795760495
Energy: 0.4915922643954646
Energy: 0.6129841147817646
Energy: 0.4915922643954646
Energy: 0.5974607007572449
Energy: 0.5448662246885918
Energy: 0.6104435513724781
Energy: 0.5448662246885918
Energy: 0.5047989475625188
Energy: 0.49079189767690184
Energy: 0.6685793597492051
Energy: 0.49079189767690184
Energy: 0.5974447261067138
Energy: 0.4991229554270957
Energy: 0.6661578415019973
Energy: 0.4991229554270957
Energy: 0.49806368505115567
Energy: 0.4984895753773409
Energy: 0.6662627292399778
Energy: 0.4984895753773409
Energy: 0.490956529332778
Energy: 0.49102492597017927
Energy: 0.6675126024540369
Energy: 0.49102492597017927
Energy: 0.49103396472030375
Energy: 0.49123123351266745
Energy: 0.7062998049470269
Energy: 0.49123123351266745
Energy: 0.6475587976886216
Energy: 0.5172464061542273
Energy: 0.7129960293723979
Energy: 0.5172464061542273
Energy: 0.6114285234559989
Energy: 0.49175713602085136
Energy: 0.49155835462623215
Energy: 0.49175713602085136
Energy: 0.6473217245120358
Energy: 0.49058323078358523
Energy: 0.4907187511132342
Energy: 0.49058323078358523
Energy: 0.7061125264119226
Energy: 0.49346632419817216
Energy: 0.49823834811526135
Energy: 0.49346632419817216
Energy: 0.7051425790723683
Energy: 0.49072065315679736
Energy: 0.6126372175932713
Energy: 0.49072065315679736
Energy: 0.6463933182887431
Energy: 0.49086261090265937
Energy: 0.6104783114475206
Energy: 0.49086261090265937
Energy: 0.5068080448318135
Energy: 0.5442066120966393
Energy: 0.6125267310470882
Energy: 0.5442066120966393
Energy: 0.5025622127291444
Energy: 0.49118999585630724
Energy: 0.6675499489278852
Energy: 0.4911899958571451
Energy: 0.5437425831682986
Energy: 0.49851458454564535
Energy: 0.666241715774879
Energy: 0.4985145845431314
Energy: 0.4979233624708081
Energy: 0.4914024265434749
Energy: 0.666895244473418
Energy: 0.4914024265426369
Energy: 0.4911504846245612
Energy: 0.4907849180843202
Energy: 0.6894347262901366
Energy: 0.4907849180843202
Energy: 0.49075414737358386
Energy: 0.49094832997800825
Energy: 0.7063613856608257
Energy: 0.49094832997800825
Energy: 0.6095904562881121
Energy: 0.5179095037505967
Energy: 0.6704933188622068
Energy: 0.5179095037514349
Energy: 0.608623872068982
Energy: 0.49109490231859715
Energy: 0.49327210457800086
Energy: 0.49109490231943514
Energy: 0.646395604717886
Energy: 0.4905605492942168
Energy: 0.4925578762915743
Energy: 0.4905605492942168
Energy: 0.7051497879032345
Energy: 0.4911396094855942
Energy: 0.4908760407500856
Energy: 0.4911396094855942

minimum gb energy = 0.4875425928429953 eV
minimum distance =  2.57935771822659 Angstroms
sigma value = 17


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

Energy: 0.8297048455587609
Energy: 0.4912621600599833
Energy: 0.6329823705721809
Energy: 0.4912621600594654
Energy: 0.6204708408399535
Energy: 0.4920506628642443
Energy: 0.5723683158995165
Energy: 0.4920506628647623
Energy: 0.6358883213403241
Energy: 0.5964514788552798
Energy: 0.5707772825874942
Energy: 0.5964514788557979
Energy: 0.6377152042391162
Energy: 0.516692628346455
Energy: 0.63172277182386
Energy: 0.5166926283469729
Energy: 0.6749020441402098
Energy: 0.493681065999375
Energy: 0.6911231178357035
Energy: 0.49368106599833916
Energy: 0.4833419447251556
Energy: 0.49338192777741163
Energy: 0.7173396623573669
Energy: 0.49338192777741163
Energy: 0.4838304713268158
Energy: 0.4824203230857182
Energy: 0.6519557364433848
Energy: 0.4824203230857182
Energy: 0.48902549998227063
Energy: 0.4834909934180523
Energy: 0.7502307384741247
Energy: 0.48349099342167784
Energy: 0.6888082426738096
Energy: 0.4833384540343437
Energy: 0.6879457653418285
Energy: 0.4833384540343437
Energy: 0.5778591677469895
Energy: 0.5188392612441979
Energy: 0.5729159936461912
Energy: 0.5188392612410904
Energy: 0.6885049519096598
Energy: 0.4916272913018974
Energy: 0.4988240228217012
Energy: 0.49162729130293326
Energy: 0.7159560399377402
Energy: 0.49252662911061185
Energy: 0.5808816572204603
Energy: 0.49252662911061185
Energy: 0.7129646153733095
Energy: 0.5171479066772972
Energy: 0.5212021507566506
Energy: 0.5171479066762613
Energy: 0.7163744042765465
Energy: 0.4912770693023316
Energy: 0.4936025207682836
Energy: 0.49127706930336745
Energy: 0.6352786628186495
Energy: 0.49191922389039583
Energy: 0.49896733970665563
Energy: 0.49191922389039583
Energy: 0.7434753725747681
Energy: 0.49218162379677516
Energy: 0.6973984909245101
Energy: 0.49218162379573926
Energy: 0.49302134477256593
Energy: 0.5515253052356967
Energy: 0.6962255448957377
Energy: 0.5515253052351788
Energy: 0.49387944590722094
Energy: 0.491909629594336
Energy: 0.7163676259581917
Energy: 0.491909629594336
Energy: 0.5105315150518085
Energy: 0.4925531410577991
Energy: 0.6850746347883901
Energy: 0.49255314105883496
Energy: 0.6104766874341944
Energy: 0.5514097018064288
Energy: 0.7531018987351734
Energy: 0.5514097018064288
Energy: 0.5732595926081372
Energy: 0.4919719254995053
Energy: 0.6693931990258909
Energy: 0.4919719255000232
Energy: 0.5716098782281288
Energy: 0.5971414043049523
Energy: 0.6345122212622261
Energy: 0.5971414043049523
Energy: 0.6253130952725691
Energy: 0.5157816731631262
Energy: 0.6353691338327473
Energy: 0.5157816731631262
Energy: 0.6929913992615272
Energy: 0.4826942534817581
Energy: 0.5693998522360106
Energy: 0.48269425348382977
Energy: 0.7157059067083995
Energy: 0.4859711533654421
Energy: 0.49510716867929444
Energy: 0.48597115336388835
Energy: 0.6516872247998005
Energy: 0.4828389982333763
Energy: 0.4859203027993356
Energy: 0.4828389982333763
Energy: 0.7407061594761254
Energy: 0.4830793491683904
Energy: 0.49125553261860105
Energy: 0.48307934916735457
Energy: 0.6846957172634118
Energy: 0.5163771612754121
Energy: 0.6894377062926415
Energy: 0.5163771612743764
Energy: 0.5716575794213572
Energy: 0.5173766201561276
Energy: 0.5705757110511512
Energy: 0.5173766201550917
Energy: 0.4999203729993624
Energy: 0.4913712458772213
Energy: 0.6906713938463767
Energy: 0.4913712458772213
Energy: 0.579077453399594
Energy: 0.5047535172534855
Energy: 0.7184279509710111
Energy: 0.5047535172540034
Energy: 0.5197224173509627
Energy: 0.5064319361337225
Energy: 0.7197415199785802
Energy: 0.5064319361326867
Energy: 0.49163543317029706
Energy: 0.49131425082996383
Energy: 0.7144337253996608
Energy: 0.491314250828928
Energy: 0.4983151621076003
Energy: 0.49222313405410023
Energy: 0.6371679467859406
Energy: 0.4922231340535823
Energy: 0.6990159390845456
Energy: 0.49213751725665783
Energy: 0.7424866220801439
Energy: 0.4921375172576937
Energy: 0.6987145389363335
Energy: 0.4926263774868887
Energy: 0.4927783216445341
Energy: 0.4926263774874066
Energy: 0.6975736512097631
Energy: 0.4917647771582037
Energy: 0.4922348134434215
Energy: 0.49176477715768585
Energy: 0.6884406676150822
Energy: 0.4928870421253961
Energy: 0.5323759290773746
Energy: 0.4928870421253961

minimum gb energy = 0.4824203230857182 eV
minimum distance =  2.56278844148509 Angstroms
sigma value = 89


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

Energy: 0.8762893755387385
Energy: 0.4745134126512282
Energy: 0.4452575189582042
Energy: 0.4745134126512282
Energy: 0.7403445368409705
Energy: 0.48771409639776986
Energy: 0.6021599763457309
Energy: 0.48771409639776986
Energy: 0.44079017075480764
Energy: 0.48845569251688525
Energy: 0.601770580729301
Energy: 0.48845569251688525
Energy: 0.4435141150836809
Energy: 0.48937283283930805
Energy: 0.6013345607294133
Energy: 0.48937283283930805
Energy: 0.46167602913962363
Energy: 0.44678950226664943
Energy: 0.5990940073403035
Energy: 0.4467895022680046
Energy: 0.444485470096043
Energy: 0.4465940094964413
Energy: 0.5985484818960509
Energy: 0.4465940094964413
Energy: 0.44571633129515864
Energy: 0.44434844784763106
Energy: 0.6010543297832942
Energy: 0.44434844784763106
Energy: 0.4448877891372292
Energy: 0.4456614581342618
Energy: 0.7397315256451136
Energy: 0.4456614581342618
Energy: 0.5939814053419867
Energy: 0.44540472443283496
Energy: 0.740343046928829
Energy: 0.44540472443283496
Energy: 0.601731506926179
Energy: 0.48794696593602876
Energy: 0.6014567586894237
Energy: 0.48794696593602876
Energy: 0.5937672226516841
Energy: 0.48754264567125843
Energy: 0.4406020372756207
Energy: 0.48754264567125843
Energy: 0.598682969195426
Energy: 0.44603282031783303
Energy: 0.6018892457177798
Energy: 0.44603282031783303
Energy: 0.5996222555147573
Energy: 0.4450313309665117
Energy: 0.4472167816617888
Energy: 0.4450313309678669
Energy: 0.7440213496748027
Energy: 0.444319827217127
Energy: 0.44492871352511537
Energy: 0.4443198272184821
Energy: 0.7401212093347818
Energy: 0.44508289989357497
Energy: 0.4477385238444264
Energy: 0.44508289989357497

minimum gb energy = 0.4406020372756207 eV
minimum distance =  2.60186138201886 Angstroms
sigma value = 13


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

Energy: 0.7767274536688876
Energy: 0.44890468123582794
Energy: 0.6111154752553388
Energy: 0.44890468123412397
Energy: 0.7088701858255909
Energy: 0.4346948557570581
Energy: 0.5188622030457791
Energy: 0.4346948557570581
Energy: 0.7084211837956663
Energy: 0.43441705603122654
Energy: 0.5172071122036236
Energy: 0.4344170560306585
Energy: 0.5946910330702772
Energy: 0.43500089956446353
Energy: 0.6115922311108177
Energy: 0.43500089957071153
Energy: 0.7031293138250237
Energy: 0.43489997185075163
Energy: 0.6556164284962439
Energy: 0.43489997185075163
Energy: 0.519736011407707
Energy: 0.4346275106108446
Energy: 0.6509989805801982
Energy: 0.4346275106108446
Energy: 0.5174951134584775
Energy: 0.43449531509322437
Energy: 0.7908550265370192
Energy: 0.4344953150909524
Energy: 0.5178017968558531
Energy: 0.44855560378593834
Energy: 0.7501383606510552
Energy: 0.44855560378593834
Energy: 0.4390274574467634
Energy: 0.4353584456384269
Energy: 0.7539303053565324
Energy: 0.4353584456384269
Energy: 0.43721482117132304
Energy: 0.43461124251652156
Energy: 0.7538064082282097
Energy: 0.43461124251652156
Energy: 0.43437367891265494
Energy: 0.4352405158504105
Energy: 0.7762860975731098
Energy: 0.4352405158509785
Energy: 0.6511584541177998
Energy: 0.458263664222253
Energy: 0.753870676046903
Energy: 0.458263664222253
Energy: 0.6539208110137517
Energy: 0.4553952264342884
Energy: 0.6513407887763332
Energy: 0.4553952264348564
Energy: 0.6481794281759432
Energy: 0.45708883438997655
Energy: 0.5933436000916001
Energy: 0.45708883438997655
Energy: 0.7597567623160969
Energy: 0.4352159832330485
Energy: 0.5965610912131984
Energy: 0.4352159832324805
Energy: 0.758134585644477
Energy: 0.43506366409786873
Energy: 0.4392504400237733
Energy: 0.43506366409786873
Energy: 0.7321347308788761
Energy: 0.4345639372942526
Energy: 0.4369711170198675
Energy: 0.43456393729368453
Energy: 0.7246593515684011
Energy: 0.4352016963428616
Energy: 0.4376641228819986
Energy: 0.43520169634172556
Energy: 0.8007941586504298
Energy: 0.435122759411548
Energy: 0.5309708576724709
Energy: 0.435122759411548
Energy: 0.7555992302254473
Energy: 0.43426855509087536
Energy: 0.5179137849891039
Energy: 0.4342685550914434
Energy: 0.5946263608199593
Energy: 0.4350830684946539
Energy: 0.5282665362851867
Energy: 0.4350830684940859
Energy: 0.7551470264934544
Energy: 0.43393384886833347
Energy: 0.6513540166994911
Energy: 0.43393384886890146
Energy: 0.5202638521074361
Energy: 0.4348696409761593
Energy: 0.6516153989499307
Energy: 0.43486964097672737
Energy: 0.43853527787832064
Energy: 0.4343796867511011
Energy: 0.7579225282150924
Energy: 0.4343796867511011
Energy: 0.5208204814681306
Energy: 0.4482973539937273
Energy: 0.7592659374231419
Energy: 0.4482973539942953
Energy: 0.45304085363119734
Energy: 0.4353359459840723
Energy: 0.7570304662903058
Energy: 0.4353359459840723
Energy: 0.4346031169143664
Energy: 0.4343917736896324
Energy: 0.7874278512899957
Energy: 0.4343917736890644
Energy: 0.43460613925364316
Energy: 0.435558281647689
Energy: 0.702534786503172
Energy: 0.43555828164712096
Energy: 0.6512939437920348
Energy: 0.43498358951914323
Energy: 0.801465852218316
Energy: 0.4349835895197113
Energy: 0.5163810134581015
Energy: 0.45727910197931615
Energy: 0.6538051521454763
Energy: 0.4572791019776121
Energy: 0.6540310906765194
Energy: 0.45957928035117684
Energy: 0.5950777627509227
Energy: 0.45957928035117684
Energy: 0.7575018156276191
Energy: 0.4349931538285428
Energy: 0.654216979159197
Energy: 0.4349931538285428
Energy: 0.7604676067719776
Energy: 0.4353007085597711
Energy: 0.43432501096389126
Energy: 0.4353007085597711
Energy: 0.7879833174352625
Energy: 0.4342819390519757
Energy: 0.43497336874739456
Energy: 0.4342819390519757
Energy: 0.7979190247007406
Energy: 0.4488868855074417
Energy: 0.43867472089361464
Energy: 0.4488868855074417

minimum gb energy = 0.43393384886833347 eV
minimum distance =  2.5883221940982 Angstroms
sigma value = 37


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

Energy: 0.7538462837732647
Energy: 0.4522810358192109
Energy: 0.4127235416845622
Energy: 0.4522810358182337
Energy: 0.7749761389577189
Energy: 0.41302291287734216
Energy: 0.5415960788707155
Energy: 0.41302291287734216
Energy: 0.6891441936612457
Energy: 0.4127216948615558
Energy: 0.5406432274472868
Energy: 0.4127216948615558
Energy: 0.6889164428249865
Energy: 0.45620523509383076
Energy: 0.6198365150160149
Energy: 0.45620523509383076
Energy: 0.6970023319062888
Energy: 0.40742693787328277
Energy: 0.5926924972011862
Energy: 0.40742693787328277
Energy: 0.5288479678911723
Energy: 0.40740748383188863
Energy: 0.7393215145808059
Energy: 0.40740748382993425
Energy: 0.4689353492863583
Energy: 0.4074928123296089
Energy: 0.7324053670306375
Energy: 0.40749281232863166
Energy: 0.527758085841438
Energy: 0.4068931238069638
Energy: 0.768841598809971
Energy: 0.4068931238069638
Energy: 0.4602404634723928
Energy: 0.40686767627675535
Energy: 0.7702616647720867
Energy: 0.40686767627675535
Energy: 0.4602490489422789
Energy: 0.39586523562161563
Energy: 0.8068398604299435
Energy: 0.3958652356206384
Energy: 0.5057205680750626
Energy: 0.5063085903391623
Energy: 0.669362920370627
Energy: 0.5063085903391623
Energy: 0.5842150018211058
Energy: 0.39586076553578126
Energy: 0.8068306800229521
Energy: 0.39586076553578126
Energy: 0.5991451602850238
Energy: 0.4064817416828867
Energy: 0.6892406595408794
Energy: 0.4064817416838639
Energy: 0.6632962315080182
Energy: 0.45247814235665235
Energy: 0.6889855486982357
Energy: 0.45247814235665235
Energy: 0.5926924972011862
Energy: 0.4500750399707221
Energy: 0.6382642607026293
Energy: 0.4500750399707221
Energy: 0.7319909730951071
Energy: 0.449992168301126
Energy: 0.5386880335554638
Energy: 0.449992168301126
Energy: 0.7316664679206019
Energy: 0.5230812630356544
Energy: 0.4690583440018469
Energy: 0.5230812630356544
Energy: 0.768841598809971
Energy: 0.4138273032078375
Energy: 0.5010064857948292
Energy: 0.4138273032078375
Energy: 0.7702616647720867
Energy: 0.41350461157213414
Energy: 0.4133537213724855
Energy: 0.41350461157311136
Energy: 0.7321994169373222
Energy: 0.41349547743484527
Energy: 0.41299892851131226
Energy: 0.41349547743484527

minimum gb energy = 0.39586076553578126 eV
minimum distance =  2.570083533768 Angstroms
sigma value = 25


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

Energy: 0.8717544048616609
Energy: 0.40981110022382466
Energy: 0.37152058132109006
Energy: 0.40981110022306155
Energy: 0.8133270661296294
Energy: 0.37217645993239085
Energy: 0.46671279096555773
Energy: 0.37217645993239085
Energy: 0.7410356417101046
Energy: 0.37158275612219926
Energy: 0.4766726686498619
Energy: 0.37158275612219926
Energy: 0.6073294851384654
Energy: 0.3719333526837585
Energy: 0.634934809583854
Energy: 0.37193335268299543
Energy: 0.7523710161304455
Energy: 0.40565816398092425
Energy: 0.6438691636641938
Energy: 0.4056581639793981
Energy: 0.5887745791581809
Energy: 0.40480096172459357
Energy: 0.6428487812082715
Energy: 0.4048009617253566
Energy: 0.5886685260619144
Energy: 0.37047817750335277
Energy: 0.7806614032820511
Energy: 0.37047817750335277
Energy: 0.6191905390323448
Energy: 0.3708050281513231
Energy: 0.6656937133425068
Energy: 0.3708050281513231
Energy: 0.4646631526588368
Energy: 0.3705278869724415
Energy: 0.7816539624719426
Energy: 0.3705278869724415
Energy: 0.4651767597621926
Energy: 0.37051067956538936
Energy: 0.7049847793821904
Energy: 0.37051067956462624
Energy: 0.41446915783796673
Energy: 0.3714037969697952
Energy: 0.743959332454128
Energy: 0.3714037969659798
Energy: 0.41455131805147016
Energy: 0.37008673277038223
Energy: 0.7050974466121694
Energy: 0.3700867327696192
Energy: 0.4195439949424371
Energy: 0.36451944537278874
Energy: 0.8433761321334112
Energy: 0.36451944537278874
Energy: 0.506083400170702
Energy: 0.3651549473473344
Energy: 0.7027239361958633
Energy: 0.3651549473473344
Energy: 0.5198169286952974
Energy: 0.3639978306717378
Energy: 0.8434098200366614
Energy: 0.3639978306709747
Energy: 0.5137870078181311
Energy: 0.37032787456494853
Energy: 0.7440812113217791
Energy: 0.37032787456571165
Energy: 0.632568592332957
Energy: 0.3705022027265543
Energy: 0.7404889499463839
Energy: 0.3705022027265543
Energy: 0.5145366434435343
Energy: 0.40337050207395575
Energy: 0.748865075882217
Energy: 0.4033705020724295
Energy: 0.6334350036294157
Energy: 0.4034769245388356
Energy: 0.600477374435137
Energy: 0.40347692453807243
Energy: 0.775233495730118
Energy: 0.4701712694555521
Energy: 0.5889307003473121
Energy: 0.4701712694563152
Energy: 0.7443205739887813
Energy: 0.372663786372811
Energy: 0.4668828422256082
Energy: 0.37266378636136466
Energy: 0.7754089902622493
Energy: 0.3719646286735204
Energy: 0.41616322574573394
Energy: 0.3719646286735204
Energy: 0.8131466508157921
Energy: 0.3725914096363535
Energy: 0.47291129582776026
Energy: 0.3725914096363535
Energy: 0.6736015023153417
Energy: 0.37337064203643905
Energy: 0.37216661355082054
Energy: 0.37337064203643905
Energy: 0.8552020259252844
Energy: 0.3718950295252052
Energy: 0.37375443109861506
Energy: 0.3718950295252052
Energy: 0.7427401859950739
Energy: 0.3727577372457656
Energy: 0.3765817591107214
Energy: 0.3727577372457656

minimum gb energy = 0.3639978306709747 eV
minimum distance =  2.5813478127128 Angstroms
sigma value = 41


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

Energy: 0.7632928513575605
Energy: 0.37038237149421155
Energy: 0.3386077228460457
Energy: 0.37038237149358594
Energy: 0.8663556674233814
Energy: 0.33894914456348707
Energy: 0.4181847564836165
Energy: 0.33894914456348707
Energy: 0.7456773487068685
Energy: 0.33805552038633596
Energy: 0.4236059740957814
Energy: 0.3380555203882128
Energy: 0.6304222366890966
Energy: 0.33840856927450647
Energy: 0.5596273517251256
Energy: 0.33840856927450647
Energy: 0.7512247875068696
Energy: 0.3391141246580311
Energy: 0.5707059446659696
Energy: 0.3391141246574055
Energy: 0.6240365229966929
Energy: 0.4549714391873433
Energy: 0.5672112280254876
Energy: 0.4549714391873433
Energy: 0.6276801331444627
Energy: 0.36658710838441333
Energy: 0.6898198417142315
Energy: 0.3665871083856645
Energy: 0.6346321732827084
Energy: 0.3660079034942148
Energy: 0.5639118322325405
Energy: 0.366007903495466
Energy: 0.5055788291481331
Energy: 0.45531508197038306
Energy: 0.685551628638115
Energy: 0.45531508197038306
Energy: 0.5107677675379191
Energy: 0.33870813135488953
Energy: 0.8066739112151107
Energy: 0.3387081313555151
Energy: 0.41594046274525703
Energy: 0.3392810617073844
Energy: 0.6848299142500038
Energy: 0.33928106170801003
Energy: 0.4211665890988132
Energy: 0.33826701944601634
Energy: 0.8066806212733769
Energy: 0.3382670194441395
Energy: 0.41922220673562527
Energy: 0.3393350351062204
Energy: 0.8081216786170276
Energy: 0.3393350351062204
Energy: 0.33938702726942793
Energy: 0.3393502924385997
Energy: 0.6851377712854594
Energy: 0.3393502924392253
Energy: 0.34029377352012075
Energy: 0.3389188824616414
Energy: 0.8073256547168773
Energy: 0.3389188824616414
Energy: 0.34074072984081405
Energy: 0.33953413422237977
Energy: 0.7483253759605949
Energy: 0.33953413422300543
Energy: 0.4229708928439715
Energy: 0.3394525642756826
Energy: 0.751630331354917
Energy: 0.33945256427380577
Energy: 0.41760816044900034
Energy: 0.3384304285047204
Energy: 0.7517481324208822
Energy: 0.3384304285028436
Energy: 0.41817912149396874
Energy: 0.3386942819329264
Energy: 0.6268481166108448
Energy: 0.3386942819323007
Energy: 0.5608716011662481
Energy: 0.3382043093770015
Energy: 0.6244572020046949
Energy: 0.3382043093770015
Energy: 0.5664430402679979
Energy: 0.4535401440296084
Energy: 0.6890990324063688
Energy: 0.45354014403023396
Energy: 0.5618498778018276
Energy: 0.4567531681193961
Energy: 0.6284736597918833
Energy: 0.4567531681193961
Energy: 0.6855941529970144
Energy: 0.36465119410199265
Energy: 0.6239347228209597
Energy: 0.3646511941051206
Energy: 0.5634586423994287
Energy: 0.45629795260359457
Energy: 0.5612363752408503
Energy: 0.45629795260296885
Energy: 0.6906822164424863
Energy: 0.4532736871855712
Energy: 0.4953416392982349
Energy: 0.45327368718494565
Energy: 0.6868212832838907
Energy: 0.33839709962312436
Energy: 0.5594488636468006
Energy: 0.33839709962312436
Energy: 0.6893382268768816
Energy: 0.3386732222832851
Energy: 0.4193635548028203
Energy: 0.3386732222832851
Energy: 0.8100800772645699
Energy: 0.3385298530607916
Energy: 0.41822266258593244
Energy: 0.3385298530607916
Energy: 0.6887747396688726
Energy: 0.33926203231906693
Energy: 0.4170381700917275
Energy: 0.33926203231719015
Energy: 0.6870915590677449
Energy: 0.33941233060573067
Energy: 0.3390063349688542
Energy: 0.33941233060573067
Energy: 0.807958668429738
Energy: 0.3388005593970499
Energy: 0.3400347321862757
Energy: 0.3388005593970499
Energy: 0.7446108630397309
Energy: 0.33952059836586723
Energy: 0.33887397003467357
Energy: 0.33952059836524157

minimum gb energy = 0.33805552038633596 eV
minimum distance =  2.58638331527752 Angstroms
sigma value = 15


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

Energy: 0.7671155605943175
Energy: 0.3534559538344769
Energy: 0.321498649681033
Energy: 0.3534559538355368
Energy: 0.8788235876955514
Energy: 0.3168773115444624
Energy: 0.3883452140173768
Energy: 0.31687731154340254
Energy: 0.7751786216239556
Energy: 0.3181401606306144
Energy: 0.3878726031354897
Energy: 0.31814016062955447
Energy: 0.675471617918526
Energy: 0.3168859420522699
Energy: 0.5052549870204129
Energy: 0.3168859420522699
Energy: 0.7812450674249046
Energy: 0.3176449999120619
Energy: 0.5110822680621652
Energy: 0.31764499991153194
Energy: 0.6677122541483316
Energy: 0.4168542845650642
Energy: 0.5052005374091506
Energy: 0.4168542845650642
Energy: 0.5649128185378438
Energy: 0.4273825712613931
Energy: 0.621839044148844
Energy: 0.4273825712603332
Energy: 0.6744917776179166
Energy: 0.5204687681581852
Energy: 0.5077202448291082
Energy: 0.5204687681576553
Energy: 0.5633679905079528
Energy: 0.5168302312700785
Energy: 0.6160727352160127
Energy: 0.5168302312695485
Energy: 0.5627572908737523
Energy: 0.5180810953452679
Energy: 0.7215404285144648
Energy: 0.5180810953452679
Energy: 0.5080909792113877
Energy: 0.4175463993292672
Energy: 0.6250525551004205
Energy: 0.41754639932873716
Energy: 0.44927310658031255
Energy: 0.4191650035306421
Energy: 0.7216743916064415
Energy: 0.419165003532232
Energy: 0.5049220459138442
Energy: 0.31607960680839914
Energy: 0.7214057881379452
Energy: 0.31607960680839914
Energy: 0.3853567798334016
Energy: 0.31680243177154127
Energy: 0.6211550137248638
Energy: 0.3168024317736612
Energy: 0.38312394590582777
Energy: 0.31668190650108075
Energy: 0.8265882550457649
Energy: 0.3166819065016107
Energy: 0.38527755629545896
Energy: 0.31746813691320513
Energy: 0.723445687910194
Energy: 0.31746813691373504
Energy: 0.3170096917079313
Energy: 0.3176573342496508
Energy: 0.7266645830541342
Energy: 0.3176573342496508
Energy: 0.3166010246648346
Energy: 0.31653537215424077
Energy: 0.828780501781969
Energy: 0.31653537215318084
Energy: 0.32594135780555067
Energy: 0.31766305275048323
Energy: 0.6706812889391379
Energy: 0.31766305275048323
Energy: 0.38397955150551005
Energy: 0.3178628326080329
Energy: 0.7796434697870998
Energy: 0.31786283260856285
Energy: 0.3809924991462984
Energy: 0.31766651079568065
Energy: 0.8283945261094058
Energy: 0.31766651079568065
Energy: 0.38137046717857664
Energy: 0.3167307693304248
Energy: 0.6735117965514701
Energy: 0.3167307693293649
Energy: 0.5062189626570412
Energy: 0.3161686027711792
Energy: 0.6673342696892689
Energy: 0.31616860276746944
Energy: 0.5085113825206604
Energy: 0.41941902137670733
Energy: 0.723185972016642
Energy: 0.41941902137617737
Energy: 0.5132986191800766
Energy: 0.41774780096908354
Energy: 0.5687541727557262
Energy: 0.41774780096908354
Energy: 0.61582378401957
Energy: 0.5175267858497556
Energy: 0.7223937967382719
Energy: 0.5175267858492256
Energy: 0.510367785707789
Energy: 0.5166340532504466
Energy: 0.6178942873752431
Energy: 0.5166340532509766
Energy: 0.6751434307636341
Energy: 0.5212706062872655
Energy: 0.5685805780867741
Energy: 0.5212706062877955
Energy: 0.6180048333143234
Energy: 0.42845901717469065
Energy: 0.6208702403966783
Energy: 0.42845901717151075
Energy: 0.6162840147280673
Energy: 0.4165069057803721
Energy: 0.5130489887866985
Energy: 0.4165069057803721
Energy: 0.7806482408938915
Energy: 0.4184257296330544
Energy: 0.4491618980537299
Energy: 0.4184257296330544
Energy: 0.6204379367594985
Energy: 0.3166340494996263
Energy: 0.5054786395183773
Energy: 0.31663404950280616
Energy: 0.7216369442453264
Energy: 0.3181170335455639
Energy: 0.38330685991654967
Energy: 0.31811703354503396
Energy: 0.7813713258800368
Energy: 0.31701641516147094
Energy: 0.38335525179354457
Energy: 0.3170164151625309
Energy: 0.7209405722972891
Energy: 0.31752178516894297
Energy: 0.38266817171387546
Energy: 0.31752178517000296
Energy: 0.8268959217466331
Energy: 0.3173393288813692
Energy: 0.3211135971237046
Energy: 0.3173393288808392
Energy: 0.7742800759863934
Energy: 0.3172827028238804
Energy: 0.3215627825342958
Energy: 0.3172827028233504

minimum gb energy = 0.31607960680839914 eV
minimum distance =  2.58783476896124 Angstroms
sigma value = 85


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

Energy: 0.7371832118974568
Energy: 0.34133073348596565
Energy: 0.2875733395461166
Energy: 0.34133073348366744
Energy: 0.8529351441928084
Energy: 0.2879007229744048
Energy: 0.34320746670402474
Energy: 0.28790072297394514
Energy: 0.7124306237813129
Energy: 0.28761554954187446
Energy: 0.34306711675154067
Energy: 0.28761554954187446
Energy: 0.6178535539818389
Energy: 0.2878183771935384
Energy: 0.45279543165068636
Energy: 0.28781837719307884
Energy: 0.7902298224326596
Energy: 0.37793746649405524
Energy: 0.4541762465427483
Energy: 0.3779374664935956
Energy: 0.6183598040395143
Energy: 0.37825651586512204
Energy: 0.4542804826854016
Energy: 0.37825651586512204
Energy: 0.6180100296684097
Energy: 0.38901191440537203
Energy: 0.5507595303684476
Energy: 0.3890119144058317
Energy: 0.6992446869915248
Energy: 0.46846072705214487
Energy: 0.48085363278820564
Energy: 0.46846072705214487
Energy: 0.6193568539565018
Energy: 0.4722430808748751
Energy: 0.5523542644565035
Energy: 0.47224308087533473
Energy: 0.6204177157365233
Energy: 0.4766900602766715
Energy: 0.6447748855768534
Energy: 0.4766900602766715
Energy: 0.5515623766887636
Energy: 0.46806374790990235
Energy: 0.5720095848949223
Energy: 0.46806374790990235
Energy: 0.5290004531341297
Energy: 0.46710879313490866
Energy: 0.6450968903109424
Energy: 0.46710879313536824
Energy: 0.552067442400553
Energy: 0.3474508100047784
Energy: 0.6653156187633456
Energy: 0.3474508100176486
Energy: 0.45221345326609347
Energy: 0.34200945762603635
Energy: 0.5715781410174143
Energy: 0.34200945762603635
Energy: 0.429788601173028
Energy: 0.341653310347769
Energy: 0.7392170309740277
Energy: 0.3416533103473094
Energy: 0.44934614126806727
Energy: 0.341998583223525
Energy: 0.6669547986762134
Energy: 0.3419985832239846
Energy: 0.343975891883038
Energy: 0.3347854700777868
Energy: 0.6647860934527362
Energy: 0.33478547007824644
Energy: 0.34407782340857584
Energy: 0.33477190474881247
Energy: 0.8304549129984796
Energy: 0.33477190474927204
Energy: 0.3440155429494484
Energy: 0.28782996829250207
Energy: 0.7589286147518924
Energy: 0.2878299682920424
Energy: 0.31426405625782977
Energy: 0.2876265288310226
Energy: 0.758896680192147
Energy: 0.2876265288310226
Energy: 0.31484342410043603
Energy: 0.2859326542531695
Energy: 0.8546279196583371
Energy: 0.2859326542527099
Energy: 0.31494429773858257
Energy: 0.28745759477525906
Energy: 0.6875423129195363
Energy: 0.28745759477525906
Energy: 0.37179922725342407
Energy: 0.28643447591266
Energy: 0.7826586435965459
Energy: 0.28643447591266
Energy: 0.3723664295603072
Energy: 0.2873848657948996
Energy: 0.7834786970674241
Energy: 0.2873848657948996
Energy: 0.37012495520744976
Energy: 0.28794651826995843
Energy: 0.6177560479668681
Energy: 0.2879465182694987
Energy: 0.45331230697975955
Energy: 0.2874588224715772
Energy: 0.8079091736133257
Energy: 0.28745882247249654
Energy: 0.4525182071073168
Energy: 0.42097667372165737
Energy: 0.7129656511047346
Energy: 0.4209766737211977
Energy: 0.5468642906145749
Energy: 0.43595278144360594
Energy: 0.6180472883100057
Energy: 0.43595278144360594
Energy: 0.5509303468911413
Energy: 0.4357997317434811
Energy: 0.7213244024731197
Energy: 0.4357997317434811
Energy: 0.5511001680628438
Energy: 0.43668549371592036
Energy: 0.6185881507252563
Energy: 0.43668549371592036
Energy: 0.6443007315521417
Energy: 0.443221926104078
Energy: 0.5289403561718998
Energy: 0.443221926104078
Energy: 0.5717698642699613
Energy: 0.47521480795268745
Energy: 0.6430957395747514
Energy: 0.47521480795268745
Energy: 0.6443732400799372
Energy: 0.46772126072841375
Energy: 0.5263037569779815
Energy: 0.46772126072841375
Energy: 0.7389708815945838
Energy: 0.4683661635233463
Energy: 0.5268727064320459
Energy: 0.4683661635233463
Energy: 0.5718546674277469
Energy: 0.3838152670384292
Energy: 0.5560410813493838
Energy: 0.3838152670379696
Energy: 0.7384605620550757
Energy: 0.37841108881494334
Energy: 0.4545669585144179
Energy: 0.3784110888144837
Energy: 0.7605052742790688
Energy: 0.28852748062718137
Energy: 0.45484010391796176
Energy: 0.2885274806303989
Energy: 0.6648207941532503
Energy: 0.2877754049451045
Energy: 0.34560287412066637
Energy: 0.2877754049451045
Energy: 0.8308534629112438
Energy: 0.28753909947561496
Energy: 0.34446477667366415
Energy: 0.28753909947561496
Energy: 0.7590971565466723
Energy: 0.2884543746421436
Energy: 0.34525922339605297
Energy: 0.2884543746421436
Energy: 0.6646552476922744
Energy: 0.2892236817343736
Energy: 0.28768110300155975
Energy: 0.2892236817343736
Energy: 0.8318148330483952
Energy: 0.28774950223112017
Energy: 0.28821978345716615
Energy: 0.28774950223112017
Energy: 0.7115830229008334
Energy: 0.2888147884465903
Energy: 0.28773166247627613
Energy: 0.2888147884465903

minimum gb energy = 0.2859326542527099 eV
minimum distance =  2.57984049314162 Angstroms
sigma value = 113


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

Energy: 0.011681192508291124
Energy: 0.01214254883864574
Energy: 0.6820614153028042
Energy: 0.01214254883864574
Energy: 0.013070189747855348
Energy: 0.06317127668316061
Energy: 0.40765253426585
Energy: 0.06317127668316061
Energy: 0.012058538459544667
Energy: 0.06230062885327939
Energy: 0.4060304035244309
Energy: 0.06230062885327939
Energy: 0.013057187701765553
Energy: 0.06173983591302768
Energy: 0.40624299684765675
Energy: 0.0617398359133614
Energy: 0.4065713293113419
Energy: 0.06215926160590067
Energy: 0.4060690695888359
Energy: 0.06215926160625402
Energy: 0.01194764487841024
Energy: 0.061908009227833405
Energy: 0.4058147133072269
Energy: 0.061908009227833405

minimum gb energy = 0.011681192508291124 eV
minimum distance =  2.82842370732784 Angstroms
sigma value = 1