Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.149889349937439
cohesive_energy=3.8615287066971016
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.29641579127854e-19, 2.51596205543556e-19, 3.29280943996314e-19, 3.63314380055742e-19, 3.97480796775792e-19, 4.31925992230158e-19, 4.555837324078019e-19, 4.69644434547786e-19, 4.847641754428439e-19, 5.04209793249702e-19, 5.25047702551506e-19, 5.441792937380999e-19, 5.59414391350806e-19, 5.709612783520439e-19, 5.803227964245059e-19, 5.883128512982639e-19, 5.952999435991379e-19, 6.01261642854252e-19, 6.0616750770756e-19, 6.10264273360698e-19, 6.136480704117059e-19, 6.162884575045379e-19, 6.18034830035598e-19, 6.18637248449982e-19, 6.179403016141919e-19, 6.15703663033128e-19, 6.11755899806952e-19, 6.05746135252818e-19, 5.9699504647791e-19, 5.84832923649216e-19, 5.68870437844674e-19, 5.4865737743013e-19, 5.22932829394626e-19, 4.891333111237619e-19, 4.43197304850348e-19, 3.6926165972114997e-19, 1.77732658362888e-19, -5.429103698439719e-20, -3.33994547653542e-19, -6.655682064131099e-19, -1.0694080422492479e-18, -1.60712735979906e-18, -2.3914408874410796e-18, -3.5557106038362e-18, -5.270055623982539e-18, -8.40380096772216e-18, -1.452498088498452e-17, -1.6163238536782197e-17, -1.73831358259098e-17, -1.9125182480058e-17, -2.1425107038164998e-17, -2.4560887146229798e-17, -2.97274261378896e-17, -3.9839884398707396e-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: 0.0 eV

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

Energy: 0.011300662364283441
Energy: 0.012534399628266654
Energy: 0.3328226859978412
Energy: 0.03706812480828914
Energy: 0.012534399628266654
Energy: 0.2926748469145241
Energy: 0.03706812480596228
Energy: 0.2926748469154761
Energy: 0.33282268599921616
Energy: 0.03706812480596228
Energy: 0.011300662364283441
Energy: 0.012534399628266654
Energy: 0.037068124809690545
Energy: 0.29267484691500006
Energy: 0.012534399628266654
Energy: 0.29267484691219725

minimum gb energy = 0.011300662364283441 eV
minimum distance =  2.78886836120246 Angstroms
sigma value = 1


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

Energy: 0.6318143932754534
Energy: 0.4344668566159305
Energy: 0.4669207276522278
Energy: 0.46705078906319325
Energy: 0.43761657162412476
Energy: 0.4552963634590943
Energy: 0.4366304532230227
Energy: 0.4552963634590943
Energy: 0.4675515473537336
Energy: 0.4657632831071705
Energy: 0.6873584874516212
Energy: 0.46576328310659326
Energy: 0.43990604892172697
Energy: 0.43335326455880757
Energy: 0.4366400248608078
Energy: 0.43335326455880757
Energy: 0.5906765793416343
Energy: 0.4312183539281182
Energy: 0.43480375742460425
Energy: 0.4312183539281182
Energy: 0.4595518918680547
Energy: 0.4309617594087381
Energy: 0.44224287357922426
Energy: 0.4309617594087381
Energy: 0.45629178416794436
Energy: 0.4303549707992667
Energy: 0.5892220631821574
Energy: 0.4303549707992667
Energy: 0.4593681577034488
Energy: 0.4316538892204776
Energy: 0.4789454176684851
Energy: 0.4316538892204776
Energy: 0.5157456898420096
Energy: 0.42654820518656295
Energy: 0.483720166152815
Energy: 0.42654820518656295
Energy: 0.4801282380508181
Energy: 0.42765344927641896
Energy: 0.4770545047374102
Energy: 0.42765344927641896
Energy: 0.47027038561660756
Energy: 0.42691669979897523
Energy: 0.4827544969804674
Energy: 0.42691669979897523
Energy: 0.4628552347187533
Energy: 0.4273461675730339
Energy: 0.477093948255078
Energy: 0.4273461675730339
Energy: 0.46140208732323246
Energy: 0.4307950933776472
Energy: 0.4377651737906571
Energy: 0.4307950933776472
Energy: 0.4644679958774208
Energy: 0.4310875332050058
Energy: 0.46692006234115696
Energy: 0.4310875332050058
Energy: 0.43902264016488185
Energy: 0.4309197949391894
Energy: 0.4346293133553899
Energy: 0.4309197949397666
Energy: 0.4523055753116721
Energy: 0.4320511445454356
Energy: 0.43496396016862193
Energy: 0.43205114454601284
Energy: 0.46652227376605254
Energy: 0.46574489651449147
Energy: 0.47564052566883247
Energy: 0.4657448965150686
Energy: 0.43565150255992563
Energy: 0.43272122255963236
Energy: 0.4376684154936012
Energy: 0.43272122255963236
Energy: 0.45419842443182207
Energy: 0.46594400463481705
Energy: 0.4671444810577943
Energy: 0.46594400463481705
Energy: 0.46149484739545094
Energy: 0.42865113012688805
Energy: 0.4464334915519482
Energy: 0.42865113012688805
Energy: 0.4358177833467184
Energy: 0.43189063663851557
Energy: 0.4546777166700611
Energy: 0.43189063663851557
Energy: 0.4409592085482529
Energy: 0.4324124003463965
Energy: 0.4559832294260316
Energy: 0.4324124003463965
Energy: 0.45530105467211107
Energy: 0.43040673317377814
Energy: 0.4574867655400812
Energy: 0.43040673317377814
Energy: 0.4841434529155311
Energy: 0.42898698458687096
Energy: 0.4570628408875089
Energy: 0.42898698458687096
Energy: 0.4810441402642281
Energy: 0.42628636701160694
Energy: 0.5158648276283836
Energy: 0.42628636701160694
Energy: 0.47711993284359616
Energy: 0.42768048330712943
Energy: 0.4804395399425488
Energy: 0.4276804833065522
Energy: 0.5153766108112893
Energy: 0.4270822161893786
Energy: 0.47027540729881856
Energy: 0.4270822161893786
Energy: 0.475785832483171
Energy: 0.4269881918653475
Energy: 0.4817946592306118
Energy: 0.4269881918653475
Energy: 0.471516416186611
Energy: 0.4313595986718587
Energy: 0.4599660766759342
Energy: 0.4313595986718587
Energy: 0.4590956526624437
Energy: 0.4304803290096613
Energy: 0.46292160639987595
Energy: 0.4304803290096613
Energy: 0.43422623490994405
Energy: 0.4309014800365106
Energy: 0.43818160185994515
Energy: 0.43090148003593337
Energy: 0.4342858656076175
Energy: 0.43163777341335124
Energy: 0.45273116665987545
Energy: 0.43163777341335124
Energy: 0.43167677904230856
Energy: 0.431538714143785
Energy: 0.4664945577495525
Energy: 0.431538714143785

minimum gb energy = 0.42628636701160694 eV
minimum distance =  2.6794502121787 Angstroms
sigma value = 1


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

Energy: 0.718707226109838
Energy: 0.45512576680839584
Energy: 0.49184543748585535
Energy: 0.4925088343173955
Energy: 0.4654054677315919
Energy: 0.4780131112423432
Energy: 0.4603045115254352
Energy: 0.4780131112423432
Energy: 0.4931267383472745
Energy: 0.4917704982265377
Energy: 0.6628286012143367
Energy: 0.4917704982265377
Energy: 0.46305350376504795
Energy: 0.45559250640024257
Energy: 0.46026012553667334
Energy: 0.45559250640024257
Energy: 0.46326938251402006
Energy: 0.45431903404672325
Energy: 0.4577727896205873
Energy: 0.45431903404738133
Energy: 0.48522794880966735
Energy: 0.454109242629381
Energy: 0.4590172332253658
Energy: 0.4541092426287229
Energy: 0.4819826140287684
Energy: 0.4552542857696544
Energy: 0.5629451682427341
Energy: 0.4552542857696544
Energy: 0.4839325389623391
Energy: 0.45697367637923364
Energy: 0.5004842397567832
Energy: 0.45697367637923364
Energy: 0.5623732865753256
Energy: 0.45325542754829384
Energy: 0.5007768258857299
Energy: 0.45325542754829384
Energy: 0.500583503212028
Energy: 0.45367939189137946
Energy: 0.48483565466637607
Energy: 0.45367939189072126
Energy: 0.4672507581033382
Energy: 0.4556526886619305
Energy: 0.49243844873427123
Energy: 0.4556526886619305
Energy: 0.4884105180553175
Energy: 0.4539816338482827
Energy: 0.4860736205292533
Energy: 0.4539816338482827
Energy: 0.45875422621146644
Energy: 0.45407828845124304
Energy: 0.4661830674297912
Energy: 0.45407828845124304
Energy: 0.45948493031560916
Energy: 0.4547403363219042
Energy: 0.47504353045436853
Energy: 0.45474033632124605
Energy: 0.45303576821203034
Energy: 0.4920820423637465
Energy: 0.49084343324798574
Energy: 0.4920820423630883
Energy: 0.4652803335557176
Energy: 0.4550343723431311
Energy: 0.46011125773103767
Energy: 0.45503437234510546
Energy: 0.4924836188809575
Energy: 0.4920853693658023
Energy: 0.4590748493067397
Energy: 0.4920853693658023
Energy: 0.46274157833784724
Energy: 0.45520288636477946
Energy: 0.4855646870685686
Energy: 0.45520288636477946
Energy: 0.4616992008261756
Energy: 0.4547708545714785
Energy: 0.45940807855090493
Energy: 0.4547708545714785
Energy: 0.4858991162206298
Energy: 0.45534534957030054
Energy: 0.4629087997048468
Energy: 0.45534534957030054
Energy: 0.4816771694511009
Energy: 0.4553922805319672
Energy: 0.5623139548889564
Energy: 0.4553922805319672
Energy: 0.4821456127686347
Energy: 0.4538707747600933
Energy: 0.500885941990077
Energy: 0.4538707747600933
Energy: 0.5634729958814216
Energy: 0.4533292887878953
Energy: 0.4987031434633579
Energy: 0.4533292887878953
Energy: 0.4995331001961869
Energy: 0.45446704027930607
Energy: 0.5029726159033612
Energy: 0.4544670402799642
Energy: 0.46669365888696773
Energy: 0.4562296248711913
Energy: 0.49257071746574804
Energy: 0.4562296248711913
Energy: 0.48440348206119044
Energy: 0.4550818559000938
Energy: 0.4856875247235406
Energy: 0.4550818559000938
Energy: 0.45848231607559914
Energy: 0.45456803357028736
Energy: 0.465866824568198
Energy: 0.4545680335689711
Energy: 0.46018131081121777
Energy: 0.454656924961038
Energy: 0.4752965818082323
Energy: 0.4546569249597217
Energy: 0.45306911635090674
Energy: 0.4547582732650645
Energy: 0.49134772661939274
Energy: 0.45475827326440643

minimum gb energy = 0.45303576821203034 eV
minimum distance =  2.66957395809643 Angstroms
sigma value = 25


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

Energy: 0.6865341839744402
Energy: 0.4756285116999128
Energy: 0.519683949605741
Energy: 0.5202561158441591
Energy: 0.491701171993095
Energy: 0.5030350800366139
Energy: 0.48473796341704184
Energy: 0.5030350800358488
Energy: 0.519806170532649
Energy: 0.5204529029801669
Energy: 0.4831308761869212
Energy: 0.5204529029816969
Energy: 0.4876730050229225
Energy: 0.48143685636455724
Energy: 0.4847341422311676
Energy: 0.48143685636455724
Energy: 0.48291375854058755
Energy: 0.4805899002575419
Energy: 0.4835614382498428
Energy: 0.4805899002575419
Energy: 0.4962954246674111
Energy: 0.48518088246434604
Energy: 0.4841904953383628
Energy: 0.485180882465111
Energy: 0.501284165441364
Energy: 0.48507877658067705
Energy: 0.5315838109069504
Energy: 0.48507877658067705
Energy: 0.49500929073359784
Energy: 0.5245251796001938
Energy: 0.49175571175380856
Energy: 0.5245251796001938
Energy: 0.5316506623013642
Energy: 0.4849759507798361
Energy: 0.4935463724246713
Energy: 0.4849759507806011
Energy: 0.49621341646232764
Energy: 0.4840786841208604
Energy: 0.48400430301206526
Energy: 0.4840786841208604
Energy: 0.4733839445010893
Energy: 0.4801892381935102
Energy: 0.4834358482507626
Energy: 0.4801892381935102
Energy: 0.4834604912495558
Energy: 0.4807863405492968
Energy: 0.4845054999438705
Energy: 0.4807863405492968
Energy: 0.5190230865968322
Energy: 0.5196358831525593
Energy: 0.47372927571591156
Energy: 0.5196358831517943
Energy: 0.4841255785392732
Energy: 0.4809534340681054
Energy: 0.49193408222386364
Energy: 0.4809534340681054
Energy: 0.4828320844815686
Energy: 0.5205139598185672
Energy: 0.5208067660440403
Energy: 0.5205139598185672
Energy: 0.49560558407151023
Energy: 0.4803452987680977
Energy: 0.48403083841123384
Energy: 0.4803452987680977
Energy: 0.4841344928178218
Energy: 0.4806738743339812
Energy: 0.4828456008042706
Energy: 0.4806738743347462
Energy: 0.48554283487397537
Energy: 0.4813459309719266
Energy: 0.4967350463970577
Energy: 0.4813459309719266
Energy: 0.5317346356476151
Energy: 0.4851449415470499
Energy: 0.4973995146584447
Energy: 0.4851449415478149
Energy: 0.4917419808541766
Energy: 0.4839892959522704
Energy: 0.49655285709847785
Energy: 0.4839892959522704
Energy: 0.4932904257017637
Energy: 0.4853051916543947
Energy: 0.5326127150106978
Energy: 0.4853051916543947
Energy: 0.49153337567172967
Energy: 0.48432821579282287
Energy: 0.4960799412503681
Energy: 0.48432821579282287
Energy: 0.48310318389667833
Energy: 0.4798327126951701
Energy: 0.4734778645837322
Energy: 0.4798327126951701
Energy: 0.4842658265384661
Energy: 0.480063493298644
Energy: 0.47349262207278514
Energy: 0.480063493298644
Energy: 0.4730972058255322
Energy: 0.4802126283031223
Energy: 0.5199965306619527
Energy: 0.4802126283038873

minimum gb energy = 0.4730972058255322 eV
minimum distance =  2.66573573225412 Angstroms
sigma value = 9


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

Energy: 0.6375762560171099
Energy: 0.49404083819819855
Energy: 0.5476739160018231
Energy: 0.5483907113396321
Energy: 0.5297752783167323
Energy: 0.5230333106164236
Energy: 0.5146941019455753
Energy: 0.5230333106164236
Energy: 0.5467300846032617
Energy: 0.548523617487488
Energy: 0.5081487142043867
Energy: 0.548523617487488
Energy: 0.5097923076828834
Energy: 0.5082291584021418
Energy: 0.5142549471623352
Energy: 0.5082291584030544
Energy: 0.5824913160555588
Energy: 0.5079278688286989
Energy: 0.5103880526447135
Energy: 0.5079278688286989
Energy: 0.509311835229626
Energy: 0.5161224044482295
Energy: 0.5102061881199649
Energy: 0.5161224044482295
Energy: 0.5303673064960754
Energy: 0.5157640869009463
Energy: 0.5134027842400644
Energy: 0.5157640869009463
Energy: 0.5133923413569232
Energy: 0.5419466239119844
Energy: 0.5155888457492923
Energy: 0.5419466239119844
Energy: 0.5115248367499687
Energy: 0.5078465178254082
Energy: 0.49158772070706647
Energy: 0.5078465178244956
Energy: 0.5140504573766631
Energy: 0.5076335864278906
Energy: 0.49154319217003845
Energy: 0.507633586426978
Energy: 0.49136425291380154
Energy: 0.5086303252113877
Energy: 0.5476041927476433
Energy: 0.5086303252113877
Energy: 0.5295648814274488
Energy: 0.507488052521991
Energy: 0.5138068289172143
Energy: 0.507488052521991
Energy: 0.5492258713507074
Energy: 0.5485179476825792
Energy: 0.5069228051278585
Energy: 0.5485179476825792
Energy: 0.5095567391330594
Energy: 0.5084435459234462
Energy: 0.5075304020729213
Energy: 0.5084435459234462
Energy: 0.5201583705550594
Energy: 0.5086807459519604
Energy: 0.5107387845860211
Energy: 0.5086807459519604
Energy: 0.5093240026006421
Energy: 0.5082441947501282
Energy: 0.5110933478411828
Energy: 0.5082441947501282
Energy: 0.5234646461026304
Energy: 0.5170271667807643
Energy: 0.5133417525413294
Energy: 0.5170271667807643
Energy: 0.5237337632068524
Energy: 0.5166403908400539
Energy: 0.5135677193549064
Energy: 0.5166403908400539
Energy: 0.5111365452868852
Energy: 0.5075522756838023
Energy: 0.49148517609600956
Energy: 0.5075522756838023
Energy: 0.5104371261933787
Energy: 0.5076041503915816
Energy: 0.4915432649479111
Energy: 0.5076041503915816
Energy: 0.4905832648492222
Energy: 0.5089414314564877
Energy: 0.5497092397064847
Energy: 0.5089414314564877

minimum gb energy = 0.4905832648492222 eV
minimum distance =  2.67803620169592 Angstroms
sigma value = 25


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

Energy: 0.571127493263933
Energy: 0.5155136862937209
Energy: 0.5815845247370474
Energy: 0.5824264911326511
Energy: 0.5114868769661498
Energy: 0.5336794468112368
Energy: 0.521041781162326
Energy: 0.5336794468112368
Energy: 0.5807034187696377
Energy: 0.5824850561836397
Energy: 0.5454455020962964
Energy: 0.5824850561836397
Energy: 0.5135419504063172
Energy: 0.5366507775078933
Energy: 0.5213088884569903
Energy: 0.5366507775157942
Energy: 0.5421655459187212
Energy: 0.5358849494523462
Energy: 0.5200433379926352
Energy: 0.535884949453475
Energy: 0.5138574823438838
Energy: 0.5477961383005788
Energy: 0.5177851274893279
Energy: 0.5477961383005788
Energy: 0.5124140776187799
Energy: 0.535739610554302
Energy: 0.5439193373839676
Energy: 0.5357396105531733
Energy: 0.5122389986651789
Energy: 0.5354931575497356
Energy: 0.5195203877882776
Energy: 0.5354931575497356
Energy: 0.5806609433637226
Energy: 0.514486989953132
Energy: 0.5123321750700465
Energy: 0.5144869899520033
Energy: 0.5201141923669399
Energy: 0.535604926968702
Energy: 0.5108563736195684
Energy: 0.535604926968702
Energy: 0.5459776145576836
Energy: 0.5822134425343365
Energy: 0.5833689514856722
Energy: 0.5822134425343365
Energy: 0.5121826485869989
Energy: 0.5440360844335524
Energy: 0.5130084068837654
Energy: 0.5440360844335524
Energy: 0.5183030662646493
Energy: 0.5373413455156725
Energy: 0.5420738972691295
Energy: 0.5373413455156725
Energy: 0.5195120234679304
Energy: 0.536285962072728
Energy: 0.5132316729096837
Energy: 0.536285962072728
Energy: 0.542717610369227
Energy: 0.5360857589071577
Energy: 0.5129866020202609
Energy: 0.5360857589071577
Energy: 0.5184146084213266
Energy: 0.5366659038985829
Energy: 0.512192249945551
Energy: 0.5366659038997116
Energy: 0.5114917045131171
Energy: 0.5396767655183993
Energy: 0.5819403852400207
Energy: 0.5396767655195278

minimum gb energy = 0.5108563736195684 eV
minimum distance =  2.63736980311562 Angstroms
sigma value = 17


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

Energy: 0.8243606664512784
Energy: 0.5923342982463272
Energy: 0.6336973401202061
Energy: 0.6347089224080481
Energy: 0.5161977423139923
Energy: 0.5461789139401262
Energy: 0.5457120261311651
Energy: 0.5461789139401262
Energy: 0.5558106515188752
Energy: 0.5555789866459095
Energy: 0.5780207256814157
Energy: 0.5555789866459095
Energy: 0.549643168413335
Energy: 0.5555617978208092
Energy: 0.546473119146027
Energy: 0.5555617978208092
Energy: 0.5742011665998735
Energy: 0.5591477775051119
Energy: 0.5464009336641703
Energy: 0.5591477775057511
Energy: 0.5471789671981426
Energy: 0.5753210163293442
Energy: 0.5525913959902261
Energy: 0.5753210163293442
Energy: 0.5742542751068304
Energy: 0.547994651824396
Energy: 0.5544619858862483
Energy: 0.547994651824396
Energy: 0.5748538423500352
Energy: 0.5468321150726387
Energy: 0.5216021847343193
Energy: 0.5468321150751956
Energy: 0.6380346817932347
Energy: 0.6346675997165562
Energy: 0.5761534621314092
Energy: 0.6346675997171954
Energy: 0.5746239576535194
Energy: 0.5566849785356882
Energy: 0.5452252875796106
Energy: 0.5566849785356882
Energy: 0.572513422720404
Energy: 0.5351656871924607
Energy: 0.5206276445911754
Energy: 0.535165687190543
Energy: 0.5774224089658261
Energy: 0.5480600578102591
Energy: 0.5331434117515768
Energy: 0.5480600578096199
Energy: 0.5737526235852005
Energy: 0.5477782326354486
Energy: 0.5346942336851015
Energy: 0.5477782326348093
Energy: 0.5740726389677321
Energy: 0.5457368259082711
Energy: 0.5208365029771359
Energy: 0.5457368259082711
Energy: 0.6391464812238912
Energy: 0.5747230275262286
Energy: 0.5756397226300638
Energy: 0.5747230275262286
Energy: 0.601158525488454
Energy: 0.573779123045764
Energy: 0.576474453233796
Energy: 0.573779123045764
Energy: 0.580560154801261
Energy: 0.5451406610932384
Energy: 0.520905886093041
Energy: 0.5451406610925991
Energy: 0.5800326105973935
Energy: 0.545186752815901
Energy: 0.5566685113119701
Energy: 0.5451867528178188
Energy: 0.5486263731872997
Energy: 0.5738787997053999
Energy: 0.5472012731270881
Energy: 0.5738787997060392
Energy: 0.5529472861506961
Energy: 0.568456407305625
Energy: 0.5527571420781344
Energy: 0.568456407305625
Energy: 0.5471878352496043
Energy: 0.545146310886952
Energy: 0.5736686895844181
Energy: 0.545146310886952
Energy: 0.559943004244569
Energy: 0.5560712145266377
Energy: 0.6626956720270973
Energy: 0.5560712145253592
Energy: 0.5459021104860573
Energy: 0.5562332798938902
Energy: 0.5458102076422628
Energy: 0.5562332798938902
Energy: 0.5772335829610901
Energy: 0.6342368758915687
Energy: 0.6363266860579688
Energy: 0.6342368758928473
Energy: 0.5228101059410112
Energy: 0.546809174422288
Energy: 0.5782779390647257
Energy: 0.546809174422288
Energy: 0.5356564210466603
Energy: 0.5341029827625677
Energy: 0.5481708773198357
Energy: 0.5341029827625677
Energy: 0.5202834685317008
Energy: 0.569967754442869
Energy: 0.5758036878218847
Energy: 0.569967754442869
Energy: 0.5217253439114369
Energy: 0.5342867813633215
Energy: 0.5746260369773607
Energy: 0.5342867813633215
Energy: 0.5237196882300738
Energy: 0.5467310529960702
Energy: 0.5787736128517801
Energy: 0.5467310529960702
Energy: 0.5778751165379455
Energy: 0.6344931627172605
Energy: 0.633836971277415
Energy: 0.6344931627172605

minimum gb energy = 0.5161977423139923 eV
minimum distance =  2.66745855094155 Angstroms
sigma value = 53


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

Energy: 0.7481630858380272
Energy: 0.492145317321073
Energy: 0.5877085075061329
Energy: 0.5886747380153592
Energy: 0.6520659561652467
Energy: 0.5096018226717818
Energy: 0.5742795747703807
Energy: 0.5096018226717818
Energy: 0.5873980594807061
Energy: 0.5887936134380631
Energy: 0.58060407901154
Energy: 0.5887936134380631
Energy: 0.5766348150463749
Energy: 0.5100919503808592
Energy: 0.5724170504606497
Energy: 0.5100919503808592
Energy: 0.5808930914372142
Energy: 0.5108634554161738
Energy: 0.4892096760713918
Energy: 0.5108634554161738
Energy: 0.571794547555702
Energy: 0.5102845764045469
Energy: 0.4853808411870006
Energy: 0.5102845764045469
Energy: 0.6509655829229677
Energy: 0.5115894660373298
Energy: 0.5873654165853719
Energy: 0.5115894660373298
Energy: 0.6560839977625252
Energy: 0.5103856606036303
Energy: 0.5723934276783765
Energy: 0.5103856606036303
Energy: 0.5877263049211038
Energy: 0.5895069995031033
Energy: 0.5791406727225286
Energy: 0.5895069995016317
Energy: 0.5723613812807286
Energy: 0.5105523848301426
Energy: 0.5757317415093078
Energy: 0.5105523848301426
Energy: 0.5813969532385195
Energy: 0.5123442228318912
Energy: 0.48610305165049567
Energy: 0.5123442228318912
Energy: 0.5756673381684922
Energy: 0.5095527445922305
Energy: 0.4883135077547242
Energy: 0.5095527445922305
Energy: 0.6502371284704236
Energy: 0.5109863510882675
Energy: 0.572051387750009
Energy: 0.5109863510882675

minimum gb energy = 0.4853808411870006 eV
minimum distance =  2.6716308007348 Angstroms
sigma value = 9


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

Energy: 0.7782875175803562
Energy: 0.6223878222651811
Energy: 0.6552919091182955
Energy: 0.6517412778799151
Energy: 0.54731395086757
Energy: 0.5286976391651963
Energy: 0.6506275393808937
Energy: 0.5286976390883968
Energy: 0.5222074726810872
Energy: 0.5228930413737596
Energy: 0.6705256617186005
Energy: 0.5228930413721254
Energy: 0.5221176051477839
Energy: 0.5254339221443051
Energy: 0.6903254464321502
Energy: 0.5254339221573773
Energy: 0.5251555743193852
Energy: 0.5257972854887298
Energy: 0.6947267677638755
Energy: 0.5257972854898192
Energy: 0.5276670844050949
Energy: 0.5277571594719441
Energy: 0.6927950077709747
Energy: 0.5277571594692209
Energy: 0.7023123583924819
Energy: 0.6487816526675927
Energy: 0.6521614457355646
Energy: 0.6487816526675927
Energy: 0.6577732459628168
Energy: 0.5276057287321824
Energy: 0.6469165082457785
Energy: 0.5276057287310929
Energy: 0.5645194125149806
Energy: 0.5614006661836657
Energy: 0.5768369139763818
Energy: 0.5614006661836657
Energy: 0.540888765881025
Energy: 0.5667497140889951
Energy: 0.6374792811122493
Energy: 0.5667497140895397
Energy: 0.567672428299382
Energy: 0.5573924367712318
Energy: 0.6761779825845845
Energy: 0.5573924367706872
Energy: 0.5724421732429903
Energy: 0.6175576922897216
Energy: 0.6966641537272311
Energy: 0.6175576922902662
Energy: 0.6986852760921234
Energy: 0.556167991019655
Energy: 0.5867903951804626
Energy: 0.5561679910201995
Energy: 0.6975835109899626
Energy: 0.5780405008234201
Energy: 0.5874722898169634
Energy: 0.5780405008234201
Energy: 0.6221896536409092
Energy: 0.5884521015893639
Energy: 0.5749855247997123
Energy: 0.5884521015899086
Energy: 0.6209800726929469
Energy: 0.5851915987096701
Energy: 0.5746784609791998
Energy: 0.5851915987102149
Energy: 0.6249836488492788
Energy: 0.5243444419838347
Energy: 0.5794957360040962
Energy: 0.5243444419822008
Energy: 0.613447645680173
Energy: 0.6056887804776712
Energy: 0.6930885693741541
Energy: 0.6056887804793052
Energy: 0.6097281301984502
Energy: 0.5245307375288715
Energy: 0.5482446415026271
Energy: 0.5245307375272373
Energy: 0.7024448443545673
Energy: 0.5434790603647933
Energy: 0.5373842899989113
Energy: 0.5434790603653379
Energy: 0.663888785469389
Energy: 0.5568318906667972
Energy: 0.54038460400162
Energy: 0.5568318906684312
Energy: 0.6929690160163611
Energy: 0.5504382027867233
Energy: 0.5480790627600387
Energy: 0.5504382027872681
Energy: 0.6943636119910745
Energy: 0.5575141568063137
Energy: 0.5436620819367621
Energy: 0.5575141568063137
Energy: 0.6588261363644976
Energy: 0.5647086585416877
Energy: 0.7014770719380775
Energy: 0.5647086585422324
Energy: 0.6577542967013029
Energy: 0.5608266945855155
Energy: 0.7054658306102267
Energy: 0.5608266945855155
Energy: 0.5756096188024623
Energy: 0.5666848841875036
Energy: 0.5568622000893781
Energy: 0.566684884186959
Energy: 0.6505156109850868
Energy: 0.5680152195502278
Energy: 0.5576026549611534
Energy: 0.5680152195502278
Energy: 0.6071494918453179
Energy: 0.5391797793815732
Energy: 0.5565424031001464
Energy: 0.5391797793810285
Energy: 0.698230724113501
Energy: 0.5638187677221173
Energy: 0.5653398140070452
Energy: 0.5638187677253853
Energy: 0.5729654242461855
Energy: 0.5399550128672174
Energy: 0.6977096960101323
Energy: 0.539955012866128
Energy: 0.5681576664043337
Energy: 0.5615452643956991
Energy: 0.6714890569170618
Energy: 0.5615452643956991
Energy: 0.5584243287134941
Energy: 0.5395045996309693
Energy: 0.6422604234547162
Energy: 0.53950459962988
Energy: 0.5615955725984259
Energy: 0.5687828846985443
Energy: 0.6194372963044993
Energy: 0.5687828846985443
Energy: 0.5647465769993304
Energy: 0.5303488308731612
Energy: 0.618487308106505
Energy: 0.5303488308726165
Energy: 0.7016474702076996
Energy: 0.5788965285825556
Energy: 0.6540925821744434
Energy: 0.5788965276385298

minimum gb energy = 0.5221176051477839 eV
minimum distance =  2.60084118004949 Angstroms
sigma value = 73


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

Energy: 0.7714718834434781
Energy: 0.5562794039209035
Energy: 0.6054489583047701
Energy: 0.6057046521345122
Energy: 0.5614581872869665
Energy: 0.560136321945216
Energy: 0.6026712041517155
Energy: 0.560136321945216
Energy: 0.5214018706753835
Energy: 0.5224734431653245
Energy: 0.6290378111318489
Energy: 0.5224734431653245
Energy: 0.5202476211176328
Energy: 0.5544401329614684
Energy: 0.6780297739508643
Energy: 0.5544401329614684
Energy: 0.5238684560748392
Energy: 0.5293232246650112
Energy: 0.6761339189200554
Energy: 0.5293232246650112
Energy: 0.5601519585275302
Energy: 0.5308016041411396
Energy: 0.676231500188435
Energy: 0.5308016041411396
Energy: 0.6793496540904422
Energy: 0.5780431948775103
Energy: 0.6360273180035222
Energy: 0.578043194890473
Energy: 0.6818792868730966
Energy: 0.5281735208974978
Energy: 0.6383988981305067
Energy: 0.5281735208966335
Energy: 0.5584611278908715
Energy: 0.516812762147082
Energy: 0.6254433762090728
Energy: 0.516812762147082
Energy: 0.5521364881951089
Energy: 0.5680789277737041
Energy: 0.6245571844380757
Energy: 0.5680789277737041
Energy: 0.5511478246646542
Energy: 0.5642358609904523
Energy: 0.6741190915235026
Energy: 0.5642358609904523
Energy: 0.5482698338665517
Energy: 0.5155534284573265
Energy: 0.6701564751054377
Energy: 0.5155534284573265
Energy: 0.6254428393810971
Energy: 0.5661003697740064
Energy: 0.5496791387259046
Energy: 0.5661003697740064
Energy: 0.6269840883303378
Energy: 0.5530628039124711
Energy: 0.5480491277748238
Energy: 0.5530628039133354
Energy: 0.63638406165231
Energy: 0.5536680788753433
Energy: 0.5463576719650975
Energy: 0.5536680788762074
Energy: 0.6769102823229202
Energy: 0.5486485130491984
Energy: 0.5581353099325141
Energy: 0.548648513050907
Energy: 0.6756008591004143
Energy: 0.5603415415713471
Energy: 0.549796931180364
Energy: 0.5603415415713471
Energy: 0.6061548218846874
Energy: 0.6070783666942787
Energy: 0.6858507992945346
Energy: 0.6070783666942787
Energy: 0.609069351727676
Energy: 0.5582074216789288
Energy: 0.5978017011658642
Energy: 0.5582074216789288
Energy: 0.6033593012018911
Energy: 0.5510785499815211
Energy: 0.5936039767584138
Energy: 0.5510785499815211
Energy: 0.6063767122562662
Energy: 0.5550693031115818
Energy: 0.5518407242727332
Energy: 0.5550693031107176
Energy: 0.6746082294218185
Energy: 0.5488239143742697
Energy: 0.6056461536615793
Energy: 0.5488239143742697

minimum gb energy = 0.5155534284573265 eV
minimum distance =  2.63411381292327 Angstroms
sigma value = 7


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

Energy: 0.8908592949236436
Energy: 0.5280485289240098
Energy: 0.6038057954520605
Energy: 0.6040351665536968
Energy: 0.5847410155110666
Energy: 0.5592279004083635
Energy: 0.6556663797705804
Energy: 0.5592279004089745
Energy: 0.5220372183812031
Energy: 0.5234426283924115
Energy: 0.5872489981925715
Energy: 0.5234426283924115
Energy: 0.5223830505167228
Energy: 0.5245328208754306
Energy: 0.6585115503463845
Energy: 0.5245328208742085
Energy: 0.5236664356543163
Energy: 0.5255209783216053
Energy: 0.6416325522760006
Energy: 0.5255209783234384
Energy: 0.5313438473551532
Energy: 0.5249490028370325
Energy: 0.641502303095353
Energy: 0.5249490028364214
Energy: 0.6595348759998185
Energy: 0.5228696088885784
Energy: 0.5270153727900545
Energy: 0.5228696088885784
Energy: 0.6554015774035881
Energy: 0.5651766829213847
Energy: 0.5337063827298025
Energy: 0.5651766829207736
Energy: 0.6553354084271569
Energy: 0.5604440231213037
Energy: 0.5246340981065163
Energy: 0.5604440231213037
Energy: 0.6471574638586565
Energy: 0.5233752538352622
Energy: 0.5247536863514665
Energy: 0.5233752538328179
Energy: 0.5951590140846391
Energy: 0.5603322944310271
Energy: 0.672400904600719
Energy: 0.5603322944310271
Energy: 0.602913655495325
Energy: 0.5499844080418118
Energy: 0.6592121235243692
Energy: 0.5499844080412006
Energy: 0.5867448314700839
Energy: 0.5555140427787738
Energy: 0.5971760709053107
Energy: 0.5555140427787738
Energy: 0.5866596419462728
Energy: 0.5444045992696956
Energy: 0.5269080395692103
Energy: 0.5444045992703067
Energy: 0.5994908592919218
Energy: 0.5569138912877396
Energy: 0.5268384732632921
Energy: 0.5569138912877396
Energy: 0.6706711665882682
Energy: 0.5488175690301279
Energy: 0.6034569186077248
Energy: 0.5488175689543835
Energy: 0.6622370834721734
Energy: 0.5262502083718467
Energy: 0.595486658787475
Energy: 0.5262502083755131
Energy: 0.524736170883045
Energy: 0.5234808282013454
Energy: 0.5884564300385052
Energy: 0.5234808282007343
Energy: 0.5247771068170235
Energy: 0.5601459742023986
Energy: 0.6558558208647859
Energy: 0.5601459742023986
Energy: 0.5282058672351958
Energy: 0.565420049362521
Energy: 0.6636029918563022
Energy: 0.565420049362521
Energy: 0.5269457368885148
Energy: 0.5229247117839432
Energy: 0.6436220512344083
Energy: 0.5229247117839432
Energy: 0.6569454536218085
Energy: 0.5267543400108925
Energy: 0.5312819578173158
Energy: 0.5267543400084482
Energy: 0.657631558375649
Energy: 0.5242914942622889
Energy: 0.5232466838659354
Energy: 0.5242914942629
Energy: 0.6576057381073196
Energy: 0.5494901763638343
Energy: 0.5230222653843962
Energy: 0.5494901763638343
Energy: 0.6461251944020995
Energy: 0.5232891242168393
Energy: 0.5224778590556169
Energy: 0.5232891242168393
Energy: 0.6446608294969104
Energy: 0.559680401506573
Energy: 0.5427072034729361
Energy: 0.5596804015077952
Energy: 0.604219124462812
Energy: 0.5944261612665352
Energy: 0.7752580872874292
Energy: 0.5944261612671464
Energy: 0.58839826403653
Energy: 0.5609741165194415
Energy: 0.6111409533195119
Energy: 0.5609741165188303
Energy: 0.5875500473195949
Energy: 0.545974110290551
Energy: 0.5907412138884519
Energy: 0.5459741102917731
Energy: 0.593792490120902
Energy: 0.5458355617718296
Energy: 0.5267720531946873
Energy: 0.5458355617724407
Energy: 0.6690725826103138
Energy: 0.5512300690941648
Energy: 0.5935439631816793
Energy: 0.5512300690935539

minimum gb energy = 0.5220372183812031 eV
minimum distance =  2.63199943774539 Angstroms
sigma value = 29


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

Energy: 0.5112737914689252
Energy: 0.5016114046201899
Energy: 0.5569150745045344
Energy: 0.5660149695663074
Energy: 0.5066148041644788
Energy: 0.5189790083688441
Energy: 0.5190481275394246
Energy: 0.518979008369057
Energy: 0.505858333323569
Energy: 0.5112848024951039
Energy: 0.5006234227012131
Energy: 0.5112848024957188
Energy: 0.5023507273454982
Energy: 0.50838484421845
Energy: 0.5097909876712696
Energy: 0.5083848442178114
Energy: 0.5055765316879308
Energy: 0.5135553596478464
Energy: 0.50132278549557
Energy: 0.5135553596480592
Energy: 0.5094404762073225
Energy: 0.5206256800240786
Energy: 0.5020990480711932
Energy: 0.520625680023653
Energy: 0.5000067919929313
Energy: 0.511003895320928
Energy: 0.505799108931387
Energy: 0.511003895320928
Energy: 0.5199838506645182
Energy: 0.5098525520581532
Energy: 0.5041238410213189
Energy: 0.5098525520579404
Energy: 0.5060072233027174
Energy: 0.512368986694116
Energy: 0.5071587488862536
Energy: 0.512368986697238

minimum gb energy = 0.5000067919929313 eV
minimum distance =  2.65466218682012 Angstroms
sigma value = 5


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

Energy: 0.6853200059125995
Energy: 0.4918263167330242
Energy: 0.5734705339411357
Energy: 0.5717498829660569
Energy: 0.5231250647365857
Energy: 0.5073785351788985
Energy: 0.5845846715033715
Energy: 0.5073785351788985
Energy: 0.5966850497022038
Energy: 0.5328882574638457
Energy: 0.5923040287791986
Energy: 0.5328882574638457
Energy: 0.5202032890095756
Energy: 0.5443933273392357
Energy: 0.5900614487562983
Energy: 0.5443933273386584
Energy: 0.5794994761284422
Energy: 0.508891794958338
Energy: 0.59896755647603
Energy: 0.5088917949577609
Energy: 0.5045734637870222
Energy: 0.5143386085692799
Energy: 0.5989845818302336
Energy: 0.5143386085692799
Energy: 0.5056128404385016
Energy: 0.5059807688135646
Energy: 0.5907452408065127
Energy: 0.5059807688124102
Energy: 0.5085991201683143
Energy: 0.506710500637042
Energy: 0.6629493206078313
Energy: 0.5067105006376191
Energy: 0.5314444138799514
Energy: 0.5070089491423916
Energy: 0.6488636532415843
Energy: 0.5070089491423916
Energy: 0.5930628049164428
Energy: 0.49013689319510634
Energy: 0.49768960136979934
Energy: 0.49013689319510634
Energy: 0.5427419677159416
Energy: 0.4900524519518559
Energy: 0.4903039555811934
Energy: 0.49005245195416475
Energy: 0.6586289970853457
Energy: 0.49095939268882927
Energy: 0.48962513175360606
Energy: 0.49095939268882927
Energy: 0.6624004953312425
Energy: 0.48979104212244284
Energy: 0.49491927520326146
Energy: 0.48979104212244284
Energy: 0.5064040071686671
Energy: 0.5052108875730488
Energy: 0.5909636414139207
Energy: 0.5052108875730488
Energy: 0.5057389876956673
Energy: 0.5078440056895214
Energy: 0.591592215751033
Energy: 0.5078440056895214
Energy: 0.5065040187207528
Energy: 0.5060648176090486
Energy: 0.5927804706232704
Energy: 0.5060648176096258
Energy: 0.5075760596079205
Energy: 0.5068797952781859
Energy: 0.5425289273277477
Energy: 0.5068797952776086
Energy: 0.5894990765605905
Energy: 0.5070033682699242
Energy: 0.5242810509389347
Energy: 0.5070033682705014
Energy: 0.5923315913724447
Energy: 0.5331666641925443
Energy: 0.588107393744015
Energy: 0.5331666641919671
Energy: 0.5893432223723085
Energy: 0.508024227252597
Energy: 0.5201091911071556
Energy: 0.5080242272514688
Energy: 0.5990944018994687
Energy: 0.5070535313738272
Energy: 0.5797314456701125
Energy: 0.5070535313744046
Energy: 0.5998065286608979
Energy: 0.5077746256900465
Energy: 0.5053887759007484
Energy: 0.5077746256900465
Energy: 0.5801815899084752
Energy: 0.5056753495127239
Energy: 0.5052674684159009
Energy: 0.5056753495127239
Energy: 0.6621383262830352
Energy: 0.5063577819907775
Energy: 0.5073647550910485
Energy: 0.5063577819907775
Energy: 0.6623974827144072
Energy: 0.5073278885874966
Energy: 0.5311730941318803
Energy: 0.5073278885874966
Energy: 0.5006754340735752
Energy: 0.4906480176277516
Energy: 0.5930128841119069
Energy: 0.4906480176277516
Energy: 0.49580130251033905
Energy: 0.4902788309903109
Energy: 0.5312631550729243
Energy: 0.4902788309903109
Energy: 0.4899631306968409
Energy: 0.4910775402956912
Energy: 0.5381493900237534
Energy: 0.4910775402956912
Energy: 0.5035766842168105
Energy: 0.49033106912554714
Energy: 0.6621798223598099
Energy: 0.49033106912554714
Energy: 0.5912451456780667
Energy: 0.5081510838951732
Energy: 0.5165069712038506
Energy: 0.5081510838951732
Energy: 0.5915430411164845
Energy: 0.5065643165853777
Energy: 0.506209374986469
Energy: 0.5065643165848006
Energy: 0.5912747026412977
Energy: 0.5060286562161694
Energy: 0.5062642248133461
Energy: 0.5060286562161694
Energy: 0.5375679589081104
Energy: 0.5071841437163628
Energy: 0.5065170304467366
Energy: 0.5071841437134766

minimum gb energy = 0.48962513175360606 eV
minimum distance =  2.6402243271527 Angstroms
sigma value = 1


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

Energy: 0.725396385471274
Energy: 0.4658043682520439
Energy: 0.5573259654195954
Energy: 0.48289494052725757
Energy: 0.5123762424592292
Energy: 0.4815486386897036
Energy: 0.577832799806765
Energy: 0.48154863868890546
Energy: 0.5703645821824823
Energy: 0.5195598726196884
Energy: 0.5980930897497228
Energy: 0.5195598726204865
Energy: 0.4987168711229687
Energy: 0.5202885588284282
Energy: 0.5665145168897524
Energy: 0.5202885588284282
Energy: 0.48932926510837077
Energy: 0.49190743313569174
Energy: 0.4872322385231745
Energy: 0.49190743313569174
Energy: 0.4809043178702495
Energy: 0.49051049660349433
Energy: 0.48793725119834896
Energy: 0.49051049660349433
Energy: 0.4794092229870423
Energy: 0.48051413077787364
Energy: 0.5786690291847056
Energy: 0.48051413077946986
Energy: 0.4842507096332571
Energy: 0.4811190617537766
Energy: 0.6939967944711039
Energy: 0.4811190617529785
Energy: 0.5669775432116222
Energy: 0.48669461539432185
Energy: 0.5465179326072563
Energy: 0.48669461539432185
Energy: 1.4265714605514577
Energy: 0.48125739751313534
Energy: 0.4937283360827948
Energy: 0.48125739751313534
Energy: 0.5781773175582111
Energy: 0.4809845501678975
Energy: 0.4801257750966127
Energy: 0.4809845501678975
Energy: 0.6892036829238625
Energy: 0.4816936025839323
Energy: 0.48072887919421897
Energy: 0.4816936025847304
Energy: 0.6929623016688373
Energy: 0.4810096409635866
Energy: 0.48803757590279406
Energy: 0.4810096409723295
Energy: 0.5664472676519461
Energy: 0.5212728035746578
Energy: 0.5972260378451366
Energy: 0.5212728035738597
Energy: 0.5005433550343595
Energy: 0.5193571095429766
Energy: 0.5700136705309671
Energy: 0.5193571095421786
Energy: 0.5015271450434519
Energy: 0.48231196361705286
Energy: 0.5665641252248431
Energy: 0.4823119636090718
Energy: 0.4839688539194612
Energy: 0.4809974048556553
Energy: 0.5960808924611382
Energy: 0.4809974048628382
Energy: 0.48999946674372746
Energy: 0.4813258194025702
Energy: 0.5645188534578952
Energy: 0.48132581940177205
Energy: 0.4799249401259385
Energy: 0.48105688754409215
Energy: 0.6343280822031698
Energy: 0.48105688754329406
Energy: 0.49187161381107364
Energy: 0.4866764801635587
Energy: 0.6947167952307615
Energy: 0.48667648016435683
Energy: 0.5961540045008596
Energy: 0.4873742239807837
Energy: 0.4812759664458469
Energy: 0.4873742239799856
Energy: 0.5956900764349354
Energy: 0.48074089188806185
Energy: 0.48262390785869586
Energy: 0.48074089188885993
Energy: 0.48493823207505177
Energy: 0.48045663952911866
Energy: 0.4803833537578234
Energy: 0.4804566395299168
Energy: 0.6925702840755887
Energy: 0.4807607449146194
Energy: 0.4811054863083404
Energy: 0.4807607449138213

minimum gb energy = 0.4658043682520439 eV
minimum distance =  2.64565098123206 Angstroms
sigma value = 17


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

Energy: 0.7735014349545158
Energy: 0.4710031813143706
Energy: 0.5665495247701937
Energy: 0.48321475392362234
Energy: 0.5471040812600291
Energy: 0.4826649158414656
Energy: 0.5670450139571124
Energy: 0.48266491583949245
Energy: 0.6207665355387257
Energy: 0.4942602096191581
Energy: 0.5560140523898415
Energy: 0.4942602096226112
Energy: 0.6202361000402407
Energy: 0.49484679131537895
Energy: 0.549816472764059
Energy: 0.49484679131488557
Energy: 0.5553138889302945
Energy: 0.47257600913402875
Energy: 0.5621952524581867
Energy: 0.47257600913402875
Energy: 0.46906541273191804
Energy: 0.47066964602839717
Energy: 0.4847293882508045
Energy: 0.4706696460288905
Energy: 0.4687508642441951
Energy: 0.46867066325657014
Energy: 0.5485085782298122
Energy: 0.46867066325657014
Energy: 0.47193172636151726
Energy: 0.47040341303115185
Energy: 0.4693834503388882
Energy: 0.47040341303115185
Energy: 0.5350825862235071
Energy: 0.47167984742757363
Energy: 0.5833142057735592
Energy: 0.47167984742757363
Energy: 0.5577347918731143
Energy: 0.4860732843818242
Energy: 0.5567185657072096
Energy: 0.4860732843818242
Energy: 0.5360868094551395
Energy: 0.4958968729878505
Energy: 0.4894036819499163
Energy: 0.49589687298834384
Energy: 0.4936607731997957
Energy: 0.48475089189991394
Energy: 0.5372468111271471
Energy: 0.4847508918994206
Energy: 0.49649824303007617
Energy: 0.48073022484422917
Energy: 0.4807607382015118
Energy: 0.48073022484373595
Energy: 0.4960645638141515
Energy: 0.4800666340835139
Energy: 0.48114440985400997
Energy: 0.4800666340835139
Energy: 0.6183083740713451
Energy: 0.48181048270071053
Energy: 0.4835963430123145
Energy: 0.4818104827012038
Energy: 0.5668541565730767
Energy: 0.4834427070699761
Energy: 0.4980304127171888
Energy: 0.48344270706952763
Energy: 0.49472415581969176
Energy: 0.4837030419519312
Energy: 0.5682049691820497
Energy: 0.48370304195834407
Energy: 0.4798200829557501
Energy: 0.4813668515823624
Energy: 0.6292842494873189
Energy: 0.4813668515823624
Energy: 0.49619596491108386
Energy: 0.48328752750408593
Energy: 0.5499897395784824
Energy: 0.48328752750457926
Energy: 0.48487929417535436
Energy: 0.4817373363567741
Energy: 0.46934704211232664
Energy: 0.4817373363567741
Energy: 0.5587005847114547
Energy: 0.4824883339927575
Energy: 0.5303725298469771
Energy: 0.4824883339917708
Energy: 0.5574787070080001
Energy: 0.4961443283314923
Energy: 0.6195901837569798
Energy: 0.4961443283339588
Energy: 0.5465065252435731
Energy: 0.49396368926814904
Energy: 0.6187253786396344
Energy: 0.49396368926814904
Energy: 0.5627062002923285
Energy: 0.4696541157905759
Energy: 0.5690424133826818
Energy: 0.4696541157905759
Energy: 0.5887117202504594
Energy: 0.47391575688724585
Energy: 0.4683877655237216
Energy: 0.4739157568867525
Energy: 0.5474040631188523
Energy: 0.46921123627436234
Energy: 0.47061039234665153
Energy: 0.46921123627436234
Energy: 0.4722948974821282
Energy: 0.47164537846469606
Energy: 0.4735176232125897
Energy: 0.47164537846469606
Energy: 0.5572976724123347
Energy: 0.4712118115206794
Energy: 0.5402966061665961
Energy: 0.4712118115206794
Energy: 0.549661985816606
Energy: 0.4855931524565093
Energy: 0.5564092772515088
Energy: 0.48559315245552265
Energy: 0.49013523600937886
Energy: 0.4820947284028982
Energy: 0.5313757220546503
Energy: 0.4820947284028982
Energy: 0.5371564712894416
Energy: 0.4919572284463979
Energy: 0.4962687637056149
Energy: 0.49195722844689116
Energy: 0.4799150936709092
Energy: 0.4842820437342473
Energy: 0.4955614924986161
Energy: 0.4842820437342473
Energy: 0.4796279713302729
Energy: 0.4803397352034455
Energy: 0.5326995090083084
Energy: 0.480339735200979
Energy: 0.48429828979072
Energy: 0.48273220890984975
Energy: 0.6198943053592954
Energy: 0.48273220890984975
Energy: 0.49986683435368157
Energy: 0.48270309193399197
Energy: 0.5740400325865346
Energy: 0.48270309193399197
Energy: 0.7000726959741077
Energy: 0.4848027493792218
Energy: 0.4929197354846008
Energy: 0.4848027493797152
Energy: 0.6278593737203323
Energy: 0.48077042745465615
Energy: 0.4803328652110393
Energy: 0.4807704274551494
Energy: 0.5514476529732957
Energy: 0.4843605671252735
Energy: 0.48048739838133775
Energy: 0.48436056712428693

minimum gb energy = 0.4683877655237216 eV
minimum distance =  2.64648427452696 Angstroms
sigma value = 89


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

Energy: 0.8122261243718202
Energy: 0.4496479999275772
Energy: 0.4396368675526371
Energy: 0.43986591301133743
Energy: 0.43689902438147993
Energy: 0.46550065478274
Energy: 0.4403463364023173
Energy: 0.46550065478144925
Energy: 0.442793159665721
Energy: 0.46562424054318563
Energy: 0.44474313904766183
Energy: 0.46562424054318563
Energy: 0.43859639112340615
Energy: 0.46601965659853795
Energy: 0.4470338966547295
Energy: 0.46601965659853795
Energy: 0.43815670433761805
Energy: 0.4396876665457531
Energy: 0.4555326670971264
Energy: 0.4396876665457531
Energy: 0.44046980977612826
Energy: 0.4399692470077061
Energy: 0.45781622858465437
Energy: 0.4399692470077061
Energy: 0.4399110987180926
Energy: 0.43842341315244315
Energy: 0.4460101996356823
Energy: 0.43842341315244315
Energy: 0.44094383575473184
Energy: 0.43954828529525286
Energy: 0.4398300521546937
Energy: 0.43954828529525286
Energy: 0.43902915310829865
Energy: 0.43968526474506986
Energy: 0.43736070740787997
Energy: 0.4396852647437792
Energy: 0.44570769781836866
Energy: 0.46720419750269926
Energy: 0.44513844073475467
Energy: 0.4672041975014086
Energy: 0.445241244071059
Energy: 0.4667948897345406
Energy: 0.43593849873968943
Energy: 0.4667948897345406
Energy: 0.45708096772192836
Energy: 0.4395708579811917
Energy: 0.4387171543834638
Energy: 0.4395708579811917
Energy: 0.45524534860651145
Energy: 0.4390135810200144
Energy: 0.4427109585577672
Energy: 0.43901358102130505
Energy: 0.4475311762934648
Energy: 0.4381461245091345
Energy: 0.4390664481722152
Energy: 0.43814612451042523
Energy: 0.4425167691877025
Energy: 0.43894794235587764
Energy: 0.44227057887506577
Energy: 0.43894794235587764

minimum gb energy = 0.43593849873968943 eV
minimum distance =  2.65774018507393 Angstroms
sigma value = 13


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

Energy: 0.7152446860294026
Energy: 0.4181194360468557
Energy: 0.5257124368224313
Energy: 0.4198333972029887
Energy: 0.6292166994592843
Energy: 0.41901943873086966
Energy: 0.4974832019157848
Energy: 0.4190194387314106
Energy: 0.6323472313810927
Energy: 0.41879270038422944
Energy: 0.48908587301997314
Energy: 0.4187927003831474
Energy: 0.5565332292432158
Energy: 0.42096991106912146
Energy: 0.47762731175832945
Energy: 0.4209699110696624
Energy: 0.4788775896472888
Energy: 0.42133853429797746
Energy: 0.596785011025351
Energy: 0.42133853429797746
Energy: 0.49076267984060745
Energy: 0.4185367470538587
Energy: 0.5960767154590841
Energy: 0.4185367470538587
Energy: 0.48875909913833104
Energy: 0.41810749949267856
Energy: 0.5815650475388132
Energy: 0.41810749949376047
Energy: 0.4193945533203137
Energy: 0.4191835670861637
Energy: 0.5935326040822066
Energy: 0.41918356708508175
Energy: 0.41725201128486245
Energy: 0.4207307150700476
Energy: 0.5850182690249315
Energy: 0.4207307150700476
Energy: 0.4197751145447278
Energy: 0.41771586366819663
Energy: 0.5834386049963574
Energy: 0.41771586366819663
Energy: 0.42392290776126773
Energy: 0.41909271062794234
Energy: 0.7147073644786938
Energy: 0.41909271060468
Energy: 0.585306157826379
Energy: 0.41930699655976966
Energy: 0.583640951657033
Energy: 0.4193069965603106
Energy: 0.5977321172222926
Energy: 0.4311060700286443
Energy: 0.5838056501310599
Energy: 0.43110607002972634
Energy: 0.5815058841369499
Energy: 0.43148622080498533
Energy: 0.5565037113054396
Energy: 0.4314862208033624
Energy: 0.5899629323825982
Energy: 0.4187901467998247
Energy: 0.47833009933405113
Energy: 0.4187901467998247
Energy: 0.5868600993391404
Energy: 0.42000701164620174
Energy: 0.41942915828189437
Energy: 0.42000701164620174
Energy: 0.58124801991366
Energy: 0.41784298872153014
Energy: 0.41972410744498756
Energy: 0.41784298872207115
Energy: 0.6390300961944
Energy: 0.4192608875871937
Energy: 0.4225332285750628
Energy: 0.41926088758665275
Energy: 0.5397877341414451
Energy: 0.42059916427180616
Energy: 0.47767172803777097
Energy: 0.4205991642712652
Energy: 0.5833636435656997
Energy: 0.41966016865263495
Energy: 0.4878021538297323
Energy: 0.4196601686531759
Energy: 0.5569711832014766
Energy: 0.4199042479808168
Energy: 0.4771897599747588
Energy: 0.4199042479797348
Energy: 0.5830699095185033
Energy: 0.43406489822551886
Energy: 0.5867477228444457
Energy: 0.43406489822551886
Energy: 0.481473704629116
Energy: 0.41922424334257763
Energy: 0.5968901824059935
Energy: 0.41922424334257763
Energy: 0.4192144722515792
Energy: 0.41796797399981966
Energy: 0.5820070641528725
Energy: 0.41796797399981966
Energy: 0.47739301721578953
Energy: 0.41778439257673616
Energy: 0.5905979057458371
Energy: 0.41778439257673616
Energy: 0.41752072057878203
Energy: 0.41986986178405505
Energy: 0.586963719107537
Energy: 0.41986986178351404
Energy: 0.417859457136606
Energy: 0.41734486087089656
Energy: 0.5823519271268423
Energy: 0.41734486087197853
Energy: 0.42206830774101384
Energy: 0.4218114568476674
Energy: 0.6413889063619864
Energy: 0.42181145684658544
Energy: 0.5852540618411475
Energy: 0.4190475381995127
Energy: 0.5401994946517229
Energy: 0.41904753820005364
Energy: 0.4879757919527961
Energy: 0.43211162592867397
Energy: 0.5825857191011428
Energy: 0.43211162592867397
Energy: 0.5817015381166754
Energy: 0.4334471061614077
Energy: 0.5577810405074802
Energy: 0.4334471061619487
Energy: 0.586455065405773
Energy: 0.4187258468547449
Energy: 0.5816259653063541
Energy: 0.4187258468547449
Energy: 0.5906199293703559
Energy: 0.4196130342876733
Energy: 0.4219105832067114
Energy: 0.4196130342865913
Energy: 0.477787776501687
Energy: 0.4170220275275109
Energy: 0.41787709145495433
Energy: 0.417022027525347
Energy: 0.5461700571850994
Energy: 0.4177770556734109
Energy: 0.41990428220618764
Energy: 0.4177770556723289

minimum gb energy = 0.417022027525347 eV
minimum distance =  2.65346931680783 Angstroms
sigma value = 37


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

Energy: 0.6938923923666463
Energy: 0.38048978620773355
Energy: 0.3838869673097928
Energy: 0.38398531460347834
Energy: 0.5346721228507334
Energy: 0.38264136122768266
Energy: 0.4894976979907756
Energy: 0.38264136122768266
Energy: 0.6135710713121308
Energy: 0.41346074463847565
Energy: 0.48470484987532086
Energy: 0.41346074463847565
Energy: 0.6125477892376338
Energy: 0.413999654941276
Energy: 0.48322612734238196
Energy: 0.4139996549403453
Energy: 0.5775735323820105
Energy: 0.4127718792960066
Energy: 0.5501338628514341
Energy: 0.4127718792960066
Energy: 0.43865391470545956
Energy: 0.381552462353676
Energy: 0.5415483327149204
Energy: 0.381552462353676
Energy: 0.43795459268242265
Energy: 0.3819765997682965
Energy: 0.5737692710847423
Energy: 0.3819765997673657
Energy: 0.4341321803256863
Energy: 0.37565280581373994
Energy: 0.6111753494779519
Energy: 0.37565280581373994
Energy: 0.43185140999092486
Energy: 0.37609517485348964
Energy: 0.61437637725954
Energy: 0.37609517485348964
Energy: 0.431987304169593
Energy: 0.3750067298618024
Energy: 0.5782478891222843
Energy: 0.3750067298618024
Energy: 0.46455182051708876
Energy: 0.4646912863936021
Energy: 0.6170774997255811
Energy: 0.4646912863936021
Energy: 0.5319404888669813
Energy: 0.37465188970041796
Energy: 0.5787276527478599
Energy: 0.3746518897013486
Energy: 0.5341427617064061
Energy: 0.4107863789561273
Energy: 0.6134700006593556
Energy: 0.4107863789561273
Energy: 0.5320769736599141
Energy: 0.40294949016801146
Energy: 0.61211578309163
Energy: 0.40294949016801146
Energy: 0.5501338628514341
Energy: 0.4121167679001752
Energy: 0.5737337241358815
Energy: 0.4121167679001752
Energy: 0.5415483327158513
Energy: 0.40438084579271233
Energy: 0.48412571545058813
Energy: 0.40438084579271233
Energy: 0.5777643631764984
Energy: 0.3831801995664794
Energy: 0.4378830366633345
Energy: 0.3831801995664794
Energy: 0.6111753494779519
Energy: 0.3834903767515314
Energy: 0.38550187418101034
Energy: 0.38349037675246217
Energy: 0.6143763772604707
Energy: 0.3832133935328306
Energy: 0.3829884177831324
Energy: 0.3832133935328306
Energy: 0.5794965643244373
Energy: 0.3823376591412539
Energy: 0.38847030936997706
Energy: 0.3823376591412539

minimum gb energy = 0.37465188970041796 eV
minimum distance =  2.6560755848077 Angstroms
sigma value = 25


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

Energy: 0.7959467020067472
Energy: 0.33664736089718267
Energy: 0.45812766045435355
Energy: 0.3372316266782438
Energy: 0.6045874065039947
Energy: 0.336190399428359
Energy: 0.42474665052506066
Energy: 0.336190399428359
Energy: 0.6363168209722265
Energy: 0.33458545261424527
Energy: 0.42505064526453784
Energy: 0.3345854526135185
Energy: 0.5436028622029193
Energy: 0.33658345288334285
Energy: 0.4246507542630064
Energy: 0.33658345288334285
Energy: 0.5741522273417881
Energy: 0.3581059843843908
Energy: 0.573863093572708
Energy: 0.3581059843843908
Energy: 0.5373095576915504
Energy: 0.35716131574051035
Energy: 0.5702488082397262
Energy: 0.35716131574051035
Energy: 0.5417675901215204
Energy: 0.3364237217688175
Energy: 0.5673213681927182
Energy: 0.3364237217680907
Energy: 0.4177665513589795
Energy: 0.3331104957769817
Energy: 0.6067451276514019
Energy: 0.3331104957784352
Energy: 0.4159574012314013
Energy: 0.33663391469709036
Energy: 0.5677854946966244
Energy: 0.33663391469636356
Energy: 0.41781169617475444
Energy: 0.33662547890840017
Energy: 0.6308783173880553
Energy: 0.336625478909127
Energy: 0.385940352264677
Energy: 0.33367456796651973
Energy: 0.6786932698070962
Energy: 0.33367456795997863
Energy: 0.3783366476545444
Energy: 0.3361350369139443
Energy: 0.6309672627818348
Energy: 0.3361350369132175
Energy: 0.37927240809935087
Energy: 0.33249328192419986
Energy: 0.636615695684347
Energy: 0.33249328192347316
Energy: 0.3794410503435344
Energy: 0.3331540620916629
Energy: 0.6377883782177357
Energy: 0.3331540620916629
Energy: 0.4641930540275994
Energy: 0.3317174638231388
Energy: 0.6323543483180556
Energy: 0.3317174638231388
Energy: 0.46362692770178165
Energy: 0.33223047744272893
Energy: 0.6378306946112992
Energy: 0.33223047744345574
Energy: 0.5034487053667044
Energy: 0.33203946553215496
Energy: 0.6019028735646831
Energy: 0.33203946553215496
Energy: 0.4675519587737236
Energy: 0.3589848795021409
Energy: 0.5045233228875345
Energy: 0.3589848795014141
Energy: 0.5642184666815947
Energy: 0.3576159591231164
Energy: 0.5414281436425598
Energy: 0.3576159591231164
Energy: 0.6357739368083044
Energy: 0.35979070183260786
Energy: 0.5378794867099619
Energy: 0.35979070183260786
Energy: 0.6787883118280114
Energy: 0.3364180866818576
Energy: 0.42017928990390396
Energy: 0.3364180866818576
Energy: 0.6360174113904752
Energy: 0.335269795879132
Energy: 0.37837894644593717
Energy: 0.335269795879132
Energy: 0.6379078709807667
Energy: 0.3358099458012222
Energy: 0.41807560033155616
Energy: 0.335809945801949
Energy: 0.6072576666994639
Energy: 0.33646042037617196
Energy: 0.33785230147938694
Energy: 0.33646042037544516
Energy: 0.6353796084692306
Energy: 0.3348182169366321
Energy: 0.33541576850786736
Energy: 0.33481821693590536
Energy: 0.6368833249734415
Energy: 0.335680941094067
Energy: 0.3373889433604357
Energy: 0.335680941094067

minimum gb energy = 0.3317174638231388 eV
minimum distance =  2.6560795013526 Angstroms
sigma value = 41


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

Energy: 0.8071936337873853
Energy: 0.3027606590875881
Energy: 0.431056666298055
Energy: 0.3004046116523785
Energy: 0.6680583300359457
Energy: 0.30023853406402184
Energy: 0.37203359914707573
Energy: 0.30023853406402184
Energy: 0.6672668448451418
Energy: 0.3004523087605911
Energy: 0.3743207943160121
Energy: 0.3004523087605911
Energy: 0.5690035956882223
Energy: 0.3018488296177111
Energy: 0.44942821026167723
Energy: 0.3018488296177111
Energy: 0.6176503192228441
Energy: 0.3010984070667137
Energy: 0.5049584192009484
Energy: 0.3010984070667137
Energy: 0.5637445944545796
Energy: 0.37390519214347173
Energy: 0.5028214808738551
Energy: 0.37390519214347173
Energy: 0.5662929924844291
Energy: 0.31756663823944764
Energy: 0.5643162994857005
Energy: 0.3175666382388518
Energy: 0.5065897667952322
Energy: 0.31904761325073805
Energy: 0.5062923343976007
Energy: 0.31904761325073805
Energy: 0.44250539538726824
Energy: 0.31927543073781245
Energy: 0.615084921827116
Energy: 0.31927543073959996
Energy: 0.44372421353287916
Energy: 0.3003285767807901
Energy: 0.6190977946146996
Energy: 0.3003285767807901
Energy: 0.37476439248770055
Energy: 0.3014356657893777
Energy: 0.7136611809113922
Energy: 0.30143566578997355
Energy: 0.3708434456358764
Energy: 0.29967201409616845
Energy: 0.6666903212717757
Energy: 0.29967201409676425
Energy: 0.37085415295566454
Energy: 0.30092048624381024
Energy: 0.6678178091465676
Energy: 0.3009204862444061
Energy: 0.3054050075391635
Energy: 0.3038034289245073
Energy: 0.6213364993184007
Energy: 0.3038034289245073
Energy: 0.2991185778557291
Energy: 0.2986853107343917
Energy: 0.6658247174785747
Energy: 0.2986853107343917
Energy: 0.30410702224680763
Energy: 0.2999836391518942
Energy: 0.6680020100779974
Energy: 0.2999836391524901
Energy: 0.37532226317847955
Energy: 0.3014779375519829
Energy: 0.6704239584255318
Energy: 0.30147793755257873
Energy: 0.3716805316580655
Energy: 0.30014361580232823
Energy: 0.6651149408684817
Energy: 0.30014361580292404
Energy: 0.3707159154638644
Energy: 0.3010467544908893
Energy: 0.5658744952866883
Energy: 0.30104675449148516
Energy: 0.5031074175569603
Energy: 0.30100904852581767
Energy: 0.5645422998724122
Energy: 0.30100904852641347
Energy: 0.5318646183103826
Energy: 0.3005118825650931
Energy: 0.6139157775310018
Energy: 0.30051188255258027
Energy: 0.5022539443874664
Energy: 0.3028951780819816
Energy: 0.56758154289165
Energy: 0.3028951780819816
Energy: 0.6155277481153674
Energy: 0.3163864711883141
Energy: 0.5627182821913113
Energy: 0.3163864711883141
Energy: 0.5065742637192774
Energy: 0.30315553675136636
Energy: 0.5027416742903439
Energy: 0.30315553675077045
Energy: 0.6132577141468759
Energy: 0.3006445907794026
Energy: 0.44300891776365087
Energy: 0.3006445907782109
Energy: 0.6157974293225035
Energy: 0.30012367647968435
Energy: 0.501956717437813
Energy: 0.30012367647968435
Energy: 0.6187993766629909
Energy: 0.30029109257861103
Energy: 0.3717507301747707
Energy: 0.30029109257861103
Energy: 0.6650856720821274
Energy: 0.29952435381139286
Energy: 0.3731571462657135
Energy: 0.29952435381079706
Energy: 0.6186395802782229
Energy: 0.3008674331171842
Energy: 0.3760346327733362
Energy: 0.30086743311778
Energy: 0.6164571604897504
Energy: 0.30047487010986834
Energy: 0.3000774788553897
Energy: 0.3004748701092725
Energy: 0.6658352586320826
Energy: 0.29885253780433885
Energy: 0.29904579066214054
Energy: 0.29885253780433885
Energy: 0.6716275328399294
Energy: 0.302767656833025
Energy: 0.3048223353874449
Energy: 0.3027676568342167

minimum gb energy = 0.2986853107343917 eV
minimum distance =  2.65907032518483 Angstroms
sigma value = 15


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

Energy: 0.6953716374229877
Energy: 0.2765449884334982
Energy: 0.4122889510298528
Energy: 0.277698961482641
Energy: 0.6911368964334743
Energy: 0.27518258119884104
Energy: 0.3380898626004713
Energy: 0.27518258119884104
Energy: 0.6915819327833607
Energy: 0.27517215620531643
Energy: 0.3397300661003235
Energy: 0.2751721562133927
Energy: 0.6070585208860885
Energy: 0.2798964058038868
Energy: 0.45439006973763585
Energy: 0.27989640580489633
Energy: 0.6471237046010794
Energy: 0.275486306368268
Energy: 0.4558680997988898
Energy: 0.275486306368268
Energy: 0.6030693614057276
Energy: 0.2771105062228486
Energy: 0.4502089601014596
Energy: 0.2771105062213343
Energy: 0.5065212650333577
Energy: 0.2766996654079648
Energy: 0.5519782584702201
Energy: 0.2766996654099839
Energy: 0.5555165017074508
Energy: 0.2912574527788869
Energy: 0.4524268600110596
Energy: 0.29125745277939175
Energy: 0.5062412139936049
Energy: 0.2889994757000505
Energy: 0.5520035067975875
Energy: 0.28899947569954576
Energy: 0.5058520701560087
Energy: 0.3482172828612425
Energy: 0.6040163322488955
Energy: 0.34821728286174725
Energy: 0.45561843911022026
Energy: 0.2800690013530971
Energy: 0.6179479746482982
Energy: 0.2800690013536019
Energy: 0.39412487926157597
Energy: 0.2767773089513403
Energy: 0.6449895629946447
Energy: 0.2767773089508355
Energy: 0.45142231480359457
Energy: 0.2757554110451233
Energy: 0.646193348461953
Energy: 0.2757554110456281
Energy: 0.33859864065303513
Energy: 0.2791806444490869
Energy: 0.5581891114452696
Energy: 0.27918064444959173
Energy: 0.33549333295690714
Energy: 0.27480015083171505
Energy: 0.688405780990285
Energy: 0.27480015083171505
Energy: 0.33683036826022905
Energy: 0.2759798843830224
Energy: 0.6478930034066138
Energy: 0.27597988438352716
Energy: 0.27842799771652055
Energy: 0.27767425555795505
Energy: 0.6497104250035414
Energy: 0.27767425555644076
Energy: 0.27460113101963257
Energy: 0.2740330196108594
Energy: 0.6877838984707184
Energy: 0.27403301961035464
Energy: 0.27670882997711854
Energy: 0.27741449783117766
Energy: 0.6056955339315853
Energy: 0.2774144978316824
Energy: 0.3394853307327569
Energy: 0.2762678032952625
Energy: 0.692057705776448
Energy: 0.27626780329576733
Energy: 0.33400813599173296
Energy: 0.2755399891318879
Energy: 0.6881412551376167
Energy: 0.2755399891318879
Energy: 0.33784229861698134
Energy: 0.27849892959364964
Energy: 0.6060307167238426
Energy: 0.2784989295946592
Energy: 0.4504720533037522
Energy: 0.2760870121945313
Energy: 0.6014990430052446
Energy: 0.2760870121945313
Energy: 0.45695637293984215
Energy: 0.27642554832227456
Energy: 0.6460673416194348
Energy: 0.27642554832277927
Energy: 0.45358843513837643
Energy: 0.27806735289627493
Energy: 0.5407032981580435
Energy: 0.2780673528952654
Energy: 0.5545488460680595
Energy: 0.348316318654115
Energy: 0.6045615385676245
Energy: 0.3483163186546197
Energy: 0.4517032788212881
Energy: 0.28989926044131675
Energy: 0.553490126890417
Energy: 0.2898992604433358
Energy: 0.5548199653880145
Energy: 0.2907676056944549
Energy: 0.5094570410164492
Energy: 0.2907676056944549
Energy: 0.5557576825776646
Energy: 0.27687878125597787
Energy: 0.5520968456303103
Energy: 0.27687878125597787
Energy: 0.5546995246352698
Energy: 0.2770743636535339
Energy: 0.45228942545541234
Energy: 0.2770743636535339
Energy: 0.6467611332073774
Energy: 0.2755338996326996
Energy: 0.3946554267559896
Energy: 0.2755338996326996
Energy: 0.5583393921973323
Energy: 0.27873859726295785
Energy: 0.4555075194235008
Energy: 0.2787385972634627
Energy: 0.64630174356575
Energy: 0.275640780391833
Energy: 0.3385975794800307
Energy: 0.275640780391833
Energy: 0.689802417025751
Energy: 0.2749295193011733
Energy: 0.3398517118418166
Energy: 0.27492951929869536
Energy: 0.7755521469840615
Energy: 0.27805066492825675
Energy: 0.2788037006272069
Energy: 0.27805066492876146
Energy: 0.6891202909324717
Energy: 0.27554456219768325
Energy: 0.27919193669528625
Energy: 0.27554456219717854
Energy: 0.6890200261203228
Energy: 0.2759763898268498
Energy: 0.27564519769540646
Energy: 0.2759763898268498

minimum gb energy = 0.27403301961035464 eV
minimum distance =  2.66171964615132 Angstroms
sigma value = 85


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

Energy: 0.7404269731620948
Energy: 0.24772179516582513
Energy: 0.3820890418250018
Energy: 0.24288998664838277
Energy: 0.6183845794572832
Energy: 0.24225608516336847
Energy: 0.29592698278752055
Energy: 0.24225608516336847
Energy: 0.6182514847900474
Energy: 0.2418278591331938
Energy: 0.29766145725136517
Energy: 0.2418278591331938
Energy: 0.5384405768806668
Energy: 0.24365671222113758
Energy: 0.39741484237296
Energy: 0.24365671222113758
Energy: 0.6178972341053696
Energy: 0.24128731476393342
Energy: 0.39849567579597317
Energy: 0.24128731476393342
Energy: 0.5345507304700805
Energy: 0.24231766014519268
Energy: 0.3981121986911827
Energy: 0.24231766014519268
Energy: 0.5364191530314643
Energy: 0.24286571855517997
Energy: 0.4917635791156592
Energy: 0.24286571855474218
Energy: 0.5781769093966581
Energy: 0.24173554341386783
Energy: 0.3962890534248911
Energy: 0.24173554341299222
Energy: 0.5358210572215933
Energy: 0.24204285563254668
Energy: 0.4896445989195018
Energy: 0.2420428556281688
Energy: 0.5349604336282092
Energy: 0.2696221791991433
Energy: 0.5742378955396117
Energy: 0.26962217919783
Energy: 0.4924338756689994
Energy: 0.2695594055994657
Energy: 0.5379180667099941
Energy: 0.2695594055999034
Energy: 0.4476046958999932
Energy: 0.26937369254006666
Energy: 0.5744274011019429
Energy: 0.26937369253962884
Energy: 0.4898321785428415
Energy: 0.24276839375234865
Energy: 0.5762958608958755
Energy: 0.24276839375059753
Energy: 0.401399453032597
Energy: 0.24279109574563493
Energy: 0.49199764894333065
Energy: 0.24279109574519714
Energy: 0.3451799306593744
Energy: 0.24174150633782593
Energy: 0.6546387881654095
Energy: 0.24174150633695035
Energy: 0.39938618972259265
Energy: 0.24206367946527813
Energy: 0.5782075711394093
Energy: 0.24206367946527813
Energy: 0.29758381787865346
Energy: 0.24346491346707205
Energy: 0.5792670773054099
Energy: 0.24346491346663424
Energy: 0.29444704711676084
Energy: 0.24151040943683785
Energy: 0.618109244450672
Energy: 0.24151040943683785
Energy: 0.30148747643726775
Energy: 0.24356606997928223
Energy: 0.660508381673012
Energy: 0.24356606997928223
Energy: 0.24370069948670006
Energy: 0.24281743235483397
Energy: 0.6587919133094327
Energy: 0.24281743235439618
Energy: 0.24202088957919182
Energy: 0.24173716676915455
Energy: 0.6925820047794217
Energy: 0.2417371667687168
Energy: 0.24331294503921128
Energy: 0.24499945453920438
Energy: 0.6169768815627125
Energy: 0.24499945453920438
Energy: 0.2968674524103126
Energy: 0.24190712506699993
Energy: 0.6949371469716925
Energy: 0.24190712506699993
Energy: 0.29477983024562027
Energy: 0.24146380772509743
Energy: 0.6197407358163106
Energy: 0.24146380772509743
Energy: 0.3024182459740814
Energy: 0.24312417151964005
Energy: 0.602326243024386
Energy: 0.24312417151964005
Energy: 0.3979247035348593
Energy: 0.24144633133699092
Energy: 0.6184683127185834
Energy: 0.24144633133655316
Energy: 0.39830671543875046
Energy: 0.24255078087924584
Energy: 0.6169726657667025
Energy: 0.2425507808796836
Energy: 0.3980209298915724
Energy: 0.24230651608192363
Energy: 0.5392729570721745
Energy: 0.24230651608236145
Energy: 0.49224405648735237
Energy: 0.24249215455207265
Energy: 0.6188298192043683
Energy: 0.24249215455207265
Energy: 0.4904347162214754
Energy: 0.3109987690314468
Energy: 0.5348616363552003
Energy: 0.3109987690318846
Energy: 0.5354881222779063
Energy: 0.2704883885588536
Energy: 0.4465779951560269
Energy: 0.27048838855754026
Energy: 0.4932955147342165
Energy: 0.27091915478989687
Energy: 0.5353614319613218
Energy: 0.27091915478989687
Energy: 0.575022685965887
Energy: 0.31217946893811555
Energy: 0.4465511152329152
Energy: 0.31217946893811555
Energy: 0.6189698415504986
Energy: 0.242538551750968
Energy: 0.4470023569133415
Energy: 0.2425385517518436
Energy: 0.5366990426331828
Energy: 0.24250434681410912
Energy: 0.39790230622223316
Energy: 0.24250434681410912
Energy: 0.6552640516327125
Energy: 0.24256094488942373
Energy: 0.3980904437189361
Energy: 0.24256094488986152
Energy: 0.6554921108051508
Energy: 0.2415811465583032
Energy: 0.39740109801434986
Energy: 0.2415811465583032
Energy: 0.5753401083198977
Energy: 0.24359879885595895
Energy: 0.3017645514136074
Energy: 0.24359879885595895
Energy: 0.6182528963362076
Energy: 0.2414065348256588
Energy: 0.29486317048264854
Energy: 0.2414065348256588
Energy: 0.6573517035459018
Energy: 0.24177271768768402
Energy: 0.2971988550013178
Energy: 0.24177271768899733
Energy: 0.579217770431736
Energy: 0.24448894475089497
Energy: 0.2483623948939682
Energy: 0.24448894475089497
Energy: 0.6920840656373778
Energy: 0.24172741186649305
Energy: 0.24166134909672654
Energy: 0.24172741186649305
Energy: 0.6201740114614364
Energy: 0.24315242080967917
Energy: 0.24335171039200082
Energy: 0.24315242080967917

minimum gb energy = 0.24128731476393342 eV
minimum distance =  2.66495925505489 Angstroms
sigma value = 113


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

Energy: 0.01278523998941831
Energy: 0.013444710857376169
Energy: 0.5337079559693105
Energy: 0.20020748292139737
Energy: 0.019346870664748095
Energy: 0.03935915420430343
Energy: 0.3721917764674515
Energy: 0.039359154206939716
Energy: 0.01719572496643142
Energy: 0.038855943044382626
Energy: 0.37202116077065656
Energy: 0.038855943044382626
Energy: 0.013790409866657248
Energy: 0.040998757961950724
Energy: 0.3731569596475658
Energy: 0.04099875796062324
Energy: 0.37232798597221384
Energy: 0.040473946081219785
Energy: 0.37321406464077944
Energy: 0.040473946081219785
Energy: 0.016623418741368114
Energy: 0.038815161349361624
Energy: 0.37137160207956166
Energy: 0.03881516134904377

minimum gb energy = 0.01278523998941831 eV
minimum distance =  2.89607896712246 Angstroms
sigma value = 1