Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018160406167922773
Energy: 0.018486122615578304
Energy: 0.01824316018693405
Energy: 0.018486122615578304
Energy: 0.018486122615578304
Energy: 1.3553223057513948
Energy: 0.018486122615578304
Energy: 1.3553223057533061
Energy: 0.01824316018693405
Energy: 0.018486122614916774
Energy: 0.018160406167922773
Energy: 0.018486122615578304
Energy: 0.018486122615578304
Energy: 1.3553223057507333
Energy: 0.018486122615578304
Energy: 1.3553223057501085

minimum gb energy = 0.018160406167922773 eV
minimum distance =  2.46274872418125 Angstroms
sigma value = 1


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

Energy: 1.4397249575580975
Energy: 1.4941883728963665
Energy: 1.2655639969364898
Energy: 1.4941883728963665
Energy: 1.3558134485944193
Energy: 1.4453331875233757
Energy: 1.3612894372568394
Energy: 1.4453331875233757
Energy: 1.3045657730649747
Energy: 1.4777919675845521
Energy: 1.375539566581831
Energy: 1.4777919675845521
Energy: 1.322996375078705
Energy: 1.390275021091922
Energy: 1.3241756152516706
Energy: 1.3902750210911197
Energy: 1.3259826390843237
Energy: 1.4994978861161794
Energy: 1.3278460422454401
Energy: 1.4994978861161794
Energy: 1.2852600560862084
Energy: 1.4592511572912261
Energy: 1.2804604155820751
Energy: 1.4592511572912261
Energy: 1.3573466364146978
Energy: 1.4733316522916862
Energy: 1.2869794180186382
Energy: 1.4733316522916862
Energy: 1.206434749313883
Energy: 1.499567341913623
Energy: 1.2571951249219555
Energy: 1.499567341913623
Energy: 1.3244014643450597
Energy: 1.6604882499065359
Energy: 1.3649332079296783
Energy: 1.6604882499065359
Energy: 1.2604349344014698
Energy: 1.4764209978231877
Energy: 1.1893122288864264
Energy: 1.4764209978231877
Energy: 1.3738930205350068
Energy: 1.4444442150020267
Energy: 1.3244965995193245
Energy: 1.4444442150012247
Energy: 1.304313520626353
Energy: 1.500363298186114
Energy: 1.283929021147499
Energy: 1.500363298186114
Energy: 1.3594554935440202
Energy: 1.4714214290862349
Energy: 1.3575110597105549
Energy: 1.4714214290862349
Energy: 1.3396338750575423
Energy: 1.4793677109250787
Energy: 1.2995209855443877
Energy: 1.4793677109250787
Energy: 1.3466207228929248
Energy: 1.4949974943925701
Energy: 1.3350353593572597
Energy: 1.4949974943925701
Energy: 1.336313382594801
Energy: 1.4943734470597079
Energy: 1.3543441514969405
Energy: 1.4943734470605101
Energy: 1.3752098424315395
Energy: 1.4778796467296655
Energy: 1.265752261561406
Energy: 1.4778796467288633
Energy: 1.3613724392307784
Energy: 1.4261585020507346
Energy: 1.356263530650681
Energy: 1.4261585020499326
Energy: 1.229982814139084
Energy: 1.5001493322512591
Energy: 1.282553936014813
Energy: 1.5001493322504567
Energy: 1.3800148380378785
Energy: 1.340566437191782
Energy: 1.3275782258722646
Energy: 1.3405664371909798
Energy: 1.264613086807953
Energy: 1.477753373389174
Energy: 1.2235827316960814
Energy: 1.477753373389174
Energy: 1.3242680204282378
Energy: 1.3464468694960865
Energy: 1.3377669931128164
Energy: 1.3464468694968887
Energy: 1.3284054947306039
Energy: 1.4996340687815108
Energy: 1.2654106493615926
Energy: 1.4996340687815108
Energy: 1.3107496743123506
Energy: 1.4730321163479285
Energy: 1.2859513577525297
Energy: 1.4730321163479285
Energy: 1.2861238589872548
Energy: 1.4485085828905244
Energy: 1.3597221968395423
Energy: 1.448508582891327
Energy: 1.3245498000769118
Energy: 1.5012393853512365
Energy: 1.2827918341565414
Energy: 1.501239385350434
Energy: 1.3487533569015557
Energy: 1.6366808643648894
Energy: 1.3241882128679616
Energy: 1.6366808643648894
Energy: 1.2723700059022218
Energy: 1.4733960947290976
Energy: 1.4075330920441718
Energy: 1.4733960947290976
Energy: 1.3547751080652553
Energy: 1.4126135106747442
Energy: 1.3541261254700319
Energy: 1.4126135106747442
Energy: 1.4369143597289824
Energy: 1.4959238036875944
Energy: 1.3087252478742413
Energy: 1.4959238036875944
Energy: 1.349781531088238
Energy: 1.4790949225623948
Energy: 1.3593519763611115
Energy: 1.479094922563197
Energy: 1.311379241258084
Energy: 1.4730010740186257
Energy: 1.3398228774229322
Energy: 1.4730010740186257
Energy: 1.3261749184699307
Energy: 1.5053610720809607
Energy: 1.31377801657494
Energy: 1.5053610720809607

minimum gb energy = 1.1893122288864264 eV
minimum distance =  2.17723637161847 Angstroms
sigma value = 1


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

Energy: 1.5265397732785522
Energy: 1.5883953149379464
Energy: 1.3542645048954327
Energy: 1.5883953149379464
Energy: 1.4040661724456267
Energy: 1.5225474270239507
Energy: 1.4189343113003863
Energy: 1.5225474270239507
Energy: 1.33768836461338
Energy: 1.5945026083625253
Energy: 1.3914238932407543
Energy: 1.5945026083625253
Energy: 1.3354794937449441
Energy: 1.3770431496497653
Energy: 1.344728648894106
Energy: 1.3770431496497653
Energy: 1.335280079248092
Energy: 1.5607091195496636
Energy: 1.390456498450466
Energy: 1.5607091195496636
Energy: 1.4177412673966532
Energy: 1.5605825434355558
Energy: 1.3914231727065691
Energy: 1.5605825434355558
Energy: 1.3924004558789587
Energy: 1.3776210811941763
Energy: 1.3565746284746687
Energy: 1.3776210811941763
Energy: 1.243169405560085
Energy: 1.5950181456193677
Energy: 1.309396295188384
Energy: 1.5950181456193677
Energy: 1.3748855039626942
Energy: 1.421232087416748
Energy: 1.443469670643436
Energy: 1.421232087416748
Energy: 1.33463183920168
Energy: 1.5949490915281825
Energy: 1.3325154336107174
Energy: 1.5949490915281825
Energy: 1.3921872052986328
Energy: 1.4976511820631644
Energy: 1.4259352348378582
Energy: 1.4976511820631644
Energy: 1.310004559466549
Energy: 1.5762730795093252
Energy: 1.3915183849896855
Energy: 1.5762730795093252
Energy: 1.415023851835066
Energy: 1.5559772549833235
Energy: 1.3906871124944493
Energy: 1.5559772549833235
Energy: 1.4148310565558617
Energy: 1.5560471997544574
Energy: 1.3688920718366
Energy: 1.5560471997544574
Energy: 1.3098967185403285
Energy: 1.5762981032047052
Energy: 1.4068335065256996
Energy: 1.5762981032047052
Energy: 1.3920822677784908
Energy: 1.497682036640015
Energy: 1.4190897001815994
Energy: 1.4976820366391
Energy: 1.3346296945306624
Energy: 1.5948903961961542
Energy: 1.2775740989511744
Energy: 1.5948903961961542
Energy: 1.374848670608729
Energy: 1.4211750404775338
Energy: 1.4434865860542945
Energy: 1.4211750404775338
Energy: 1.2431824412051162
Energy: 1.5950192901503437
Energy: 1.2902701595042063
Energy: 1.5950192901503437
Energy: 1.3920759406379852
Energy: 1.377351402637143
Energy: 1.3446303497736904
Energy: 1.377351402636228
Energy: 1.4177358208828363
Energy: 1.5606692684386752
Energy: 1.3149074339840117
Energy: 1.5606692684386752
Energy: 1.3353736234300821
Energy: 1.5604841451853115
Energy: 1.3966320991466592
Energy: 1.5604841451853115
Energy: 1.3353343939570033
Energy: 1.3769599544800304
Energy: 1.3322129352772785
Energy: 1.3769599544800304
Energy: 1.3378151901466617
Energy: 1.5944880384964983
Energy: 1.3951981489066125
Energy: 1.5944880384964983
Energy: 1.4041626252509891
Energy: 1.522521226573258
Energy: 1.4189708762221613
Energy: 1.5225212265723431
Energy: 1.5265397732785522
Energy: 1.5883953149370316
Energy: 1.3712088527880395
Energy: 1.5883953149370316
Energy: 1.4040661724465415
Energy: 1.5225474270239507
Energy: 1.4189343113003863
Energy: 1.5225474270239507
Energy: 1.33768836461338
Energy: 1.5945026083625253
Energy: 1.391423893241669
Energy: 1.5945026083625253
Energy: 1.3354794937431145
Energy: 1.3770431496497653
Energy: 1.344728648894106
Energy: 1.3770431496497653

minimum gb energy = 1.243169405560085 eV
minimum distance =  2.15145885559076 Angstroms
sigma value = 25


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

Energy: 1.4757618945788717
Energy: 1.6660990929520756
Energy: 1.404591295019899
Energy: 1.6660990929520756
Energy: 1.504236984535978
Energy: 1.5516093868565748
Energy: 1.4478856065120602
Energy: 1.5516093868565748
Energy: 1.4140904736407753
Energy: 1.7246029152453195
Energy: 1.4271101825588417
Energy: 1.7246029152453195
Energy: 1.4057434690011352
Energy: 1.4658505326659121
Energy: 1.4028986161142074
Energy: 1.4658505326659121
Energy: 1.4038376717717747
Energy: 1.6663096157432422
Energy: 1.4332526869669484
Energy: 1.6663096157432422
Energy: 1.5102007529148613
Energy: 1.7227806398528531
Energy: 1.4952120453460733
Energy: 1.7227806398528531
Energy: 1.4951959547111437
Energy: 1.4447150771212245
Energy: 1.4509337941895337
Energy: 1.4447150771212245
Energy: 1.5286209604729941
Energy: 1.6732984345656854
Energy: 1.3406882071131327
Energy: 1.6732984345656854
Energy: 1.450753091625098
Energy: 1.5754890139622613
Energy: 1.494921239067137
Energy: 1.5754890139622613
Energy: 1.427894537216476
Energy: 1.7226717283784232
Energy: 1.3845633322610051
Energy: 1.7226717283773598
Energy: 1.4718849847400794
Energy: 1.6632193072179935
Energy: 1.4609226108738291
Energy: 1.6632193072179935
Energy: 1.4446251335561895
Energy: 1.6656132817207268
Energy: 1.4608047417503682
Energy: 1.6656132817207268
Energy: 1.4274102266679736
Energy: 1.5895706772962797
Energy: 1.3846380012887827
Energy: 1.5895706772962797
Energy: 1.4503216608314704
Energy: 1.521624691065122
Energy: 1.4955798933112505
Energy: 1.521624691065122
Energy: 1.360715575400712
Energy: 1.6748361707288604
Energy: 1.3386336873276041
Energy: 1.6748361707288604
Energy: 1.4942089472060758
Energy: 1.4458797220698227
Energy: 1.4052775354263989
Energy: 1.4458797220708863
Energy: 1.3027387886339714
Energy: 1.7246168178964567
Energy: 1.3023225777356893
Energy: 1.72461681789752
Energy: 1.4030295546592306
Energy: 1.595492882630503
Energy: 1.4695940667876717
Energy: 1.59549288262944
Energy: 1.366434771069113
Energy: 1.594991966692622
Energy: 1.404664864707372
Energy: 1.594991966692622
Energy: 1.4954705163081567
Energy: 1.722347247865703
Energy: 1.4484268951507286
Energy: 1.722347247865703
Energy: 1.4648532850129266
Energy: 1.5550683035708377
Energy: 1.4477531213177102
Energy: 1.5550683035708377
Energy: 1.476732850724518
Energy: 1.666740578104312
Energy: 1.479188801160554
Energy: 1.6667405781032487
Energy: 1.5040588505237567
Energy: 1.5941250869519765
Energy: 1.447748137872431
Energy: 1.5941250869519765
Energy: 1.4124227400694302
Energy: 1.7230821113796773
Energy: 1.4279627401717205
Energy: 1.7230821113796773
Energy: 1.447809746707856
Energy: 1.4648068434409636
Energy: 1.4034319302053944
Energy: 1.4648068434409636

minimum gb energy = 1.3023225777356893 eV
minimum distance =  2.15455732996383 Angstroms
sigma value = 9


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

Energy: 1.5482141948355728
Energy: 1.5472527701915892
Energy: 1.483661636908012
Energy: 1.5472527701915892
Energy: 1.5185779353423023
Energy: 1.6610954214989913
Energy: 1.540507024002692
Energy: 1.6610954214989913
Energy: 1.5023860038925376
Energy: 1.5560925782961736
Energy: 1.4533002484630377
Energy: 1.5560925782949053
Energy: 1.5632690350566225
Energy: 1.530628353016094
Energy: 1.4312626352694198
Energy: 1.530628353016094
Energy: 1.6233386277465212
Energy: 1.6612609429227922
Energy: 1.477535592443225
Energy: 1.6612609429227922
Energy: 1.3610992607055081
Energy: 1.5552657047871474
Energy: 1.552110509381599
Energy: 1.5552657047871474
Energy: 1.586144130480123
Energy: 1.4320345705096513
Energy: 1.4326274558403185
Energy: 1.4320345705096513
Energy: 1.4836615753936757
Energy: 1.555046977127679
Energy: 1.4166939235344338
Energy: 1.555046977127679
Energy: 1.563314874842416
Energy: 1.6612090890796285
Energy: 1.591530808630507
Energy: 1.6612090890796285
Energy: 1.566112107575053
Energy: 1.5476363908316388
Energy: 1.431979139958722
Energy: 1.5476363908303705
Energy: 1.4635232458638783
Energy: 1.6433721988992276
Energy: 1.4534434327584713
Energy: 1.6433721988992276
Energy: 1.5632566257086427
Energy: 1.6284636254993243
Energy: 1.4313809667630544
Energy: 1.6284636254993243
Energy: 1.3609257519267624
Energy: 1.555812436933935
Energy: 1.3618156504317098
Energy: 1.555812436933935
Energy: 1.541672869702381
Energy: 1.5544918156834868
Energy: 1.551333567446189
Energy: 1.5544918156834868
Energy: 1.3609265035076905
Energy: 1.5558130352793074
Energy: 1.4837304393173476
Energy: 1.5558130352793074
Energy: 1.5632788494880034
Energy: 1.6285491602984168
Energy: 1.4313720124825786
Energy: 1.6285491602984168
Energy: 1.4636633141967104
Energy: 1.643346872568583
Energy: 1.4532995119887373
Energy: 1.643346872568583
Energy: 1.5658062653451186
Energy: 1.5476387020942226
Energy: 1.431949376779527
Energy: 1.5476387020942226
Energy: 1.5632274725655153
Energy: 1.6612182575647572
Energy: 1.477431096969035
Energy: 1.6612182575647572
Energy: 1.4839321139196961
Energy: 1.5551927734445978
Energy: 1.416714439108352
Energy: 1.5551927734458664
Energy: 1.586238386041289
Energy: 1.4320444107670909
Energy: 1.432738809960983
Energy: 1.432044410768359

minimum gb energy = 1.3609257519267624 eV
minimum distance =  2.28704970974688 Angstroms
sigma value = 25


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

Energy: 1.4868209364599114
Energy: 1.8693566965531736
Energy: 1.6560918502991242
Energy: 1.8693566965547421
Energy: 1.4517563444543518
Energy: 1.665211756271783
Energy: 1.4213741635353982
Energy: 1.665211756271783
Energy: 1.4227364155604862
Energy: 1.8082256145442628
Energy: 1.4212749766117654
Energy: 1.8082256145442628
Energy: 1.485041517920263
Energy: 1.6547695558206683
Energy: 1.600787519558062
Energy: 1.6547695558190996
Energy: 1.599658966589052
Energy: 1.450563481642782
Energy: 1.4941862717699794
Energy: 1.450563481642782
Energy: 1.4214153265185105
Energy: 1.706143902115378
Energy: 1.421700064668999
Energy: 1.706143902115378
Energy: 1.4918201924416654
Energy: 1.6566348627790122
Energy: 1.4210173621336535
Energy: 1.6566348627790122
Energy: 1.581585867826454
Energy: 1.6741987734368917
Energy: 1.4852115962851171
Energy: 1.6741987734368917
Energy: 1.4213593933306816
Energy: 1.568188148083785
Energy: 1.4513913651033687
Energy: 1.568188148083785
Energy: 1.668418382856129
Energy: 1.7008732423227664
Energy: 1.423402599724209
Energy: 1.7008732423227664
Energy: 1.5467453827691182
Energy: 1.7749076322108646
Energy: 1.7547943305655656
Energy: 1.7749076322108646
Energy: 1.4211195960794583
Energy: 1.595767589192651
Energy: 1.668915862788079
Energy: 1.595767589192651
Energy: 1.5725816302798479
Energy: 1.5636676722598286
Energy: 1.4212582239593419
Energy: 1.5636676722598286
Energy: 1.4210613279697788
Energy: 1.5363799903177966
Energy: 1.4849492685600618
Energy: 1.5363799903193653
Energy: 1.5691367546006039
Energy: 1.7690342178110212
Energy: 1.5818292172278068
Energy: 1.7690342178094522
Energy: 1.451074331075048
Energy: 1.5994441313203582
Energy: 1.421211837994368
Energy: 1.5994441313203582
Energy: 1.4208998166212958
Energy: 1.5732621379492502
Energy: 1.6676994391314006
Energy: 1.5732621379492502

minimum gb energy = 1.4208998166212958 eV
minimum distance =  2.26930768022452 Angstroms
sigma value = 17


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

Energy: 1.6329832808957523
Energy: 1.6315085207590743
Energy: 1.7651701908380104
Energy: 1.6315085207590743
Energy: 1.671412241841011
Energy: 1.583878094145154
Energy: 1.4754596772572481
Energy: 1.583878094145154
Energy: 1.636335923325497
Energy: 1.614481278480015
Energy: 1.474746258666308
Energy: 1.614481278480015
Energy: 1.4776893516148408
Energy: 1.7518536712176098
Energy: 1.583430538337754
Energy: 1.7518536712176098
Energy: 1.6933796202209301
Energy: 1.5887123755547397
Energy: 1.5492899648945415
Energy: 1.5887123755547397
Energy: 1.5042070101253175
Energy: 1.6427142955096845
Energy: 1.6166421697249038
Energy: 1.6427142955096845
Energy: 1.4775918306522884
Energy: 1.6548856139008312
Energy: 1.5681547037882255
Energy: 1.6548856139008312
Energy: 1.613016707422343
Energy: 1.6426505950170718
Energy: 1.500735065630541
Energy: 1.6426505950170718
Energy: 1.502749850011496
Energy: 1.6387487881037268
Energy: 1.6763511050171283
Energy: 1.63874878810195
Energy: 1.7783956874254851
Energy: 1.6067926229157952
Energy: 1.4764620837634075
Energy: 1.6067926229166836
Energy: 1.4811704205518088
Energy: 1.6602867882342933
Energy: 1.6371090733323201
Energy: 1.6602867882342933
Energy: 1.5028806605798315
Energy: 1.6520292036590274
Energy: 1.5020233026666365
Energy: 1.6520292036590274
Energy: 1.7784081667920564
Energy: 1.6315030495347875
Energy: 1.634595299960914
Energy: 1.6315030495347875
Energy: 1.4756863781664984
Energy: 1.673424269216235
Energy: 1.6547314593353752
Energy: 1.673424269216235
Energy: 1.6094561751132002
Energy: 1.651624552577184
Energy: 1.5028573580050895
Energy: 1.651624552577184
Energy: 1.6351335585516742
Energy: 1.6424130206364254
Energy: 1.6134531281632385
Energy: 1.642413020635537
Energy: 1.568544635923967
Energy: 1.7079154339926492
Energy: 1.791527957338618
Energy: 1.7079154339926492
Energy: 1.6075069272536264
Energy: 1.614291599702791
Energy: 1.5042983441012734
Energy: 1.614291599702791
Energy: 1.5553455406819612
Energy: 1.7121145403011389
Energy: 1.556867122008097
Energy: 1.7121145403011389
Energy: 1.5703149378387553
Energy: 1.7510201463135282
Energy: 1.4775496495802574
Energy: 1.7510201463144166
Energy: 1.5472142679787528
Energy: 1.6140567122468745
Energy: 1.6368855121175734
Energy: 1.6140567122468745
Energy: 1.5680328196645252
Energy: 1.741898232141995
Energy: 1.7769146810628476
Energy: 1.741898232141995
Energy: 1.6445836687311466
Energy: 1.661248866271384
Energy: 1.475265558509241
Energy: 1.661248866271384
Energy: 1.5922464253393658
Energy: 1.6542970423773649
Energy: 1.6401439754252103
Energy: 1.6542970423782533
Energy: 1.5929835907225316
Energy: 1.6143513326097563
Energy: 1.6365553364090186
Energy: 1.6143513326097563
Energy: 1.7310299274747036
Energy: 1.6529776246548555
Energy: 1.4767157214831907
Energy: 1.65297762465219
Energy: 1.570860329128785
Energy: 1.6865539748718927
Energy: 1.8262657453991782
Energy: 1.6865539748718927
Energy: 1.6139715186708072
Energy: 1.6423279873167376
Energy: 1.6383118476605312
Energy: 1.6423279873167376
Energy: 1.7913425130222238
Energy: 1.750959394060517
Energy: 1.477841271792759
Energy: 1.750959394060517
Energy: 1.500633143544144
Energy: 1.7100265101238274
Energy: 1.677762763730796
Energy: 1.7100265101238274

minimum gb energy = 1.474746258666308 eV
minimum distance =  2.13332720205725 Angstroms
sigma value = 53


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

Energy: 1.431952136699133
Energy: 1.431333885997047
Energy: 1.6356516505280598
Energy: 1.431333885997047
Energy: 1.7040817144782217
Energy: 1.6068579728113355
Energy: 1.6335117368317371
Energy: 1.6068579728113355
Energy: 1.4615294339925367
Energy: 1.431772967744087
Energy: 1.6378399410908633
Energy: 1.431772967744087
Energy: 1.4615556900777118
Energy: 1.4317236117512346
Energy: 1.5208199936494795
Energy: 1.4317236117512346
Energy: 1.7044367761879524
Energy: 1.606820483831723
Energy: 1.62110267588377
Energy: 1.6068204838337685
Energy: 1.4319521367011783
Energy: 1.431333885997047
Energy: 1.7422439930723685
Energy: 1.4313338859990927
Energy: 1.704081714480267
Energy: 1.6068579728133807
Energy: 1.6230652780789958
Energy: 1.6068579728113355
Energy: 1.4615294340333993
Energy: 1.431772967744087
Energy: 1.6378399410908633
Energy: 1.431772967744087
Energy: 1.4615556936556686
Energy: 1.4317236117512346
Energy: 1.5422284035537486
Energy: 1.4317236117512346
Energy: 1.7044367761879524
Energy: 1.606820483831723
Energy: 1.7353602224010451
Energy: 1.606820483831723
Energy: 1.4319521367011783
Energy: 1.4313338859990927
Energy: 1.859763875450705
Energy: 1.431333885997047
Energy: 1.7040817144782217
Energy: 1.6068579728133807
Energy: 1.6230223664327659
Energy: 1.6068579728113355
Energy: 1.4615294341315344
Energy: 1.431772967744087
Energy: 1.637839941088818
Energy: 1.431772967744087

minimum gb energy = 1.431333885997047 eV
minimum distance =  2.24617725852049 Angstroms
sigma value = 9


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

Energy: 1.5572141343498824
Energy: 1.7204446847463406
Energy: 1.9217568336431974
Energy: 1.7204446847463406
Energy: 1.8062543308357268
Energy: 1.6392515833042522
Energy: 1.5708378527752944
Energy: 1.6392515833042522
Energy: 1.5551933850408197
Energy: 1.5364999357607723
Energy: 1.5462611842975744
Energy: 1.536499935761529
Energy: 1.6986114498183207
Energy: 1.7992822845120566
Energy: 1.572187143197458
Energy: 1.7992822845120566
Energy: 1.877121079078189
Energy: 1.6293180513503265
Energy: 1.5798235521268074
Energy: 1.6293180513503265
Energy: 1.5369764450495218
Energy: 1.5360233943303585
Energy: 1.6892232885748875
Energy: 1.5360233943303585
Energy: 1.9325199589343356
Energy: 1.6226292158674365
Energy: 1.5715059303772567
Energy: 1.6226292158674365
Energy: 1.5727841833056762
Energy: 1.8041674314679208
Energy: 1.7226846543370953
Energy: 1.804167431468678
Energy: 1.5582215751222765
Energy: 1.8131459341943628
Energy: 1.536161309565463
Energy: 1.8131459341943628
Energy: 1.5614623391319553
Energy: 1.6367311008027394
Energy: 1.572755692725586
Energy: 1.6367311008034964
Energy: 1.5752509643981403
Energy: 1.801964113676558
Energy: 1.8817906957870276
Energy: 1.801964113676558
Energy: 1.7493147824484854
Energy: 1.746533575232361
Energy: 1.562073344001675
Energy: 1.746533575232361
Energy: 1.5589259622760077
Energy: 1.6357895802811973
Energy: 1.824295384017355
Energy: 1.6357895802819544
Energy: 1.7050113416321206
Energy: 1.7205404111244424
Energy: 1.562265332640549
Energy: 1.7205404111236855
Energy: 1.5753012297041769
Energy: 1.7337258922895227
Energy: 1.7283559339653434
Energy: 1.7337258922895227
Energy: 1.5628468598810776
Energy: 1.8120307205410855
Energy: 1.6953190385408026
Energy: 1.8120307205410855
Energy: 1.6611172374136332
Energy: 1.7339894442334336
Energy: 1.5753197164851775
Energy: 1.7339894442326766
Energy: 1.5794188505123874
Energy: 1.6227222167386874
Energy: 1.7674030936972098
Energy: 1.6227222167386874
Energy: 1.757813270916283
Energy: 1.6364650832028385
Energy: 1.5404689012140376
Energy: 1.6364650832028385
Energy: 1.5605402296995834
Energy: 1.6590792869596935
Energy: 1.6841875348846844
Energy: 1.6590792869596935
Energy: 1.6989908426092102
Energy: 1.7972905204057081
Energy: 1.7015226550308276
Energy: 1.7972905204064655
Energy: 1.6848319351001353
Energy: 1.7194172233217995
Energy: 1.5571644561318567
Energy: 1.7194172233210423
Energy: 1.5360867459260334
Energy: 1.7160211969532206
Energy: 1.558922748258651
Energy: 1.7160211969524637
Energy: 1.9082238972033738
Energy: 1.6457700730966829
Energy: 1.572047126282428
Energy: 1.6457700730959257
Energy: 1.5712894404561013
Energy: 1.7646776351899063
Energy: 1.849704716339757
Energy: 1.7646776351899063
Energy: 1.6233274847443055
Energy: 1.536847994415005
Energy: 1.555628399033409
Energy: 1.536847994415762
Energy: 1.7254865506306754
Energy: 1.7404805948290722
Energy: 1.698014336259941
Energy: 1.7404805948290722
Energy: 1.5553710993127845
Energy: 1.7998964522577294
Energy: 1.6986370809008824
Energy: 1.7998964522584864
Energy: 1.6131958705209817
Energy: 1.5362687088268465
Energy: 1.5545173616002508
Energy: 1.5362687088261584
Energy: 1.571042287769918
Energy: 1.764840895762128
Energy: 1.8489114813165686
Energy: 1.764840895762128
Energy: 1.8230007891206546
Energy: 1.6445926524485737
Energy: 1.5708815954371818
Energy: 1.6445926524493308
Energy: 1.5359681474207676
Energy: 1.624221855154378
Energy: 1.5558461608945315
Energy: 1.6242218551536207
Energy: 1.5721900714732246
Energy: 1.7194918675949478
Energy: 1.5550883679606866
Energy: 1.7194918675949478
Energy: 1.6983757818913878
Energy: 1.79861831454881
Energy: 1.6987078620001346
Energy: 1.79861831454881
Energy: 1.5798162608878272
Energy: 1.7956527037002654
Energy: 1.933547077293221
Energy: 1.7956527037010226

minimum gb energy = 1.5359681474207676 eV
minimum distance =  2.17438677887905 Angstroms
sigma value = 73


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

Energy: 1.5383918571552884
Energy: 1.5379944018579932
Energy: 1.9333719291687865
Energy: 1.5379944018579932
Energy: 1.6697788670565186
Energy: 1.7338933596753439
Energy: 1.596672212890739
Energy: 1.7338933596753439
Energy: 1.5955622729091707
Energy: 1.6959848554580104
Energy: 1.5533793942416128
Energy: 1.6959848554580104
Energy: 1.5703486562596887
Energy: 1.6912060664733168
Energy: 1.5969097997999997
Energy: 1.6912060664721156
Energy: 1.5688747707944333
Energy: 1.6627477623446236
Energy: 1.6086393891448705
Energy: 1.6627477623446236
Energy: 1.609329426801239
Energy: 1.5818898589810868
Energy: 1.8491455825089127
Energy: 1.5818898589798858
Energy: 1.9367755500225565
Energy: 1.8575070207802797
Energy: 1.59808563004758
Energy: 1.8575070207802797
Energy: 1.5708387567926536
Energy: 1.5377091779997305
Energy: 1.8776005495203785
Energy: 1.5377091779997305
Energy: 1.8494465814423338
Energy: 1.538786595664112
Energy: 1.5376754119920435
Energy: 1.5387865956653133
Energy: 1.5953893421933851
Energy: 1.677517224966443
Energy: 1.5959629292818514
Energy: 1.677517224966443
Energy: 1.5681705971501825
Energy: 1.5382576011798794
Energy: 1.848542115739481
Energy: 1.5382576011798794
Energy: 1.7261054793283626
Energy: 1.7276091199639942
Energy: 1.5704103947941483
Energy: 1.7276091199639942
Energy: 1.6372948095088642
Energy: 1.6578909821147076
Energy: 1.7125584925646458
Energy: 1.6578909821147076
Energy: 1.901965746615313
Energy: 1.6587628637789134
Energy: 1.609161833529475
Energy: 1.6587628637789134
Energy: 1.5707254647492757
Energy: 1.6466904573954484
Energy: 1.7262327141111193
Energy: 1.6466904573954484
Energy: 1.857644144479381
Energy: 1.5379671800328425
Energy: 1.5709902737298094
Energy: 1.5379671800328425
Energy: 1.5974416884727942
Energy: 1.5380243234411544
Energy: 1.5954553734622055
Energy: 1.5380243234411544
Energy: 1.5377595752167832
Energy: 1.5392165450753899
Energy: 1.6095108807948346
Energy: 1.5392165450753899
Energy: 1.7063770338377857
Energy: 1.5377575294115662
Energy: 1.5676438029987476
Energy: 1.5377575294115662
Energy: 1.596601452576461
Energy: 1.6463490999251935
Energy: 1.931924665765502
Energy: 1.6463490999251935
Energy: 1.8433199208490212
Energy: 1.5755055301979448
Energy: 1.6105818896402937
Energy: 1.5755055301979448
Energy: 1.5965559208898437
Energy: 1.659670156489242
Energy: 1.7122981930897332
Energy: 1.659670156489242

minimum gb energy = 1.5376754119920435 eV
minimum distance =  2.20635529778918 Angstroms
sigma value = 7


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

Energy: 1.5652598783713485
Energy: 1.5647960402896608
Energy: 1.9490194936601364
Energy: 1.5647960402896608
Energy: 1.911803415666231
Energy: 1.6250500535243957
Energy: 1.5997194943635675
Energy: 1.6250500535243957
Energy: 1.5646228422569788
Energy: 1.7694984795633222
Energy: 1.5972551067526308
Energy: 1.7694984795633222
Energy: 1.630082578637858
Energy: 1.6726735759521014
Energy: 1.6153510757810745
Energy: 1.6726735759521014
Energy: 1.58100621892881
Energy: 1.664859054950399
Energy: 1.5666506173465455
Energy: 1.6648590549512483
Energy: 1.569559149574863
Energy: 1.5653120877519988
Energy: 1.8168263714134663
Energy: 1.5653120877528481
Energy: 1.7428502720836012
Energy: 1.7626512803831567
Energy: 1.6303538976309124
Energy: 1.7626512803831567
Energy: 1.5691884906953084
Energy: 1.5660248242064096
Energy: 1.8801225396060315
Energy: 1.5660248242055606
Energy: 1.7487909594211262
Energy: 1.6552036310822
Energy: 1.5898078139342202
Energy: 1.6552036310822
Energy: 1.5816629513270197
Energy: 1.673606818022008
Energy: 1.6884618376799168
Energy: 1.673606818022008
Energy: 1.6056450755264216
Energy: 1.7715246261265376
Energy: 1.6123339733772826
Energy: 1.7715246261265376
Energy: 1.5659555494447748
Energy: 1.6633512863465538
Energy: 1.6584787479944176
Energy: 1.6633512863465538
Energy: 1.564841275004649
Energy: 1.5665467789549454
Energy: 1.644628877732807
Energy: 1.566546778955795
Energy: 1.5959564969037854
Energy: 1.5554726572345996
Energy: 1.6405594444040976
Energy: 1.5554726572345996
Energy: 1.5784349647526785
Energy: 1.7951475606953806
Energy: 1.7434274282394564
Energy: 1.7951475606945313
Energy: 1.939268131456277
Energy: 1.5542736327092967
Energy: 1.58591063421288
Energy: 1.5542736327092967
Energy: 1.6018778717278885
Energy: 1.6899212471755591
Energy: 1.7961200645668238
Energy: 1.6899212471755591
Energy: 1.565916943314604
Energy: 1.7637061844091038
Energy: 1.6591148240509184
Energy: 1.7637061844091038
Energy: 1.5642455816223015
Energy: 1.6932821951326906
Energy: 1.6579152572750935
Energy: 1.6932821951326906
Energy: 1.5809337286952378
Energy: 1.6638486108067843
Energy: 1.6119824048845388
Energy: 1.6638486108059352
Energy: 1.626369270654357
Energy: 1.7726989128364405
Energy: 1.590222393369007
Energy: 1.7726989128364405
Energy: 1.5992609522545047
Energy: 1.766795416351835
Energy: 1.7173662081607517
Energy: 1.766795416351835
Energy: 1.8546387947217688
Energy: 1.6734185139878022
Energy: 1.5813447015278652
Energy: 1.6734185139878022
Energy: 1.5707000962261668
Energy: 1.5654319971705881
Energy: 1.8164000159061542
Energy: 1.5654319971705881
Energy: 1.6627291059112608
Energy: 1.6634159791378482
Energy: 1.581914909838101
Energy: 1.6634159791378482
Energy: 1.6299351363683305
Energy: 1.766988236836027
Energy: 1.6098864082171145
Energy: 1.766988236836027
Energy: 1.5809295030469255
Energy: 1.673411562500308
Energy: 1.6246111476949268
Energy: 1.673411562500308
Energy: 1.6300065583557002
Energy: 1.6898335986255968
Energy: 1.6155772447446715
Energy: 1.689833598626446
Energy: 1.5639852569554034
Energy: 1.56542749492513
Energy: 1.7182324425892093
Energy: 1.5654274949259792
Energy: 1.7660532978148722
Energy: 1.6259425709593494
Energy: 1.599763586125641
Energy: 1.6259425709593494
Energy: 1.5639891070003082
Energy: 1.565358141709476
Energy: 1.8499547655056932
Energy: 1.565358141709476

minimum gb energy = 1.5542736327092967 eV
minimum distance =  2.19271608760808 Angstroms
sigma value = 29


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

Energy: 1.4961860359288197
Energy: 1.4927193985771574
Energy: 1.4498660749723449
Energy: 1.4927193985768614
Energy: 1.6246956169819535
Energy: 1.4974064717887392
Energy: 1.4957309427375243
Energy: 1.4974064717887392
Energy: 1.5123899303133084
Energy: 1.5719263231660663
Energy: 1.4493496473585237
Energy: 1.5719263231657705
Energy: 1.4943295774480643
Energy: 1.450394735627289
Energy: 1.5773358223527818
Energy: 1.4503947356264342
Energy: 1.4962568204693638
Energy: 1.5532048218308312
Energy: 1.7606727048808293
Energy: 1.5532048218310943
Energy: 1.540894939959476
Energy: 1.5728155964569985
Energy: 1.5811007496921003
Energy: 1.5728155964567025
Energy: 1.5528227516470754
Energy: 1.5531705214624514
Energy: 1.4962649506130834
Energy: 1.5531705214621883
Energy: 1.5773216554931961
Energy: 1.4503948371369046
Energy: 1.494323971403835
Energy: 1.4503948371369046
Energy: 1.4492653297221387
Energy: 1.5719122420341665
Energy: 1.51372971326396
Energy: 1.5719122420339033

minimum gb energy = 1.4492653297221387 eV
minimum distance =  2.2575281704953 Angstroms
sigma value = 5


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

Energy: 1.4609635846759297
Energy: 1.462481310300526
Energy: 1.7231091812514614
Energy: 1.462481310300526
Energy: 1.6797288080187582
Energy: 1.5491569576407767
Energy: 1.4370535193172649
Energy: 1.549156957641579
Energy: 1.4297126221309986
Energy: 1.4543995525663318
Energy: 1.6934939652991243
Energy: 1.4543995525655293
Energy: 1.4446367305065322
Energy: 1.5394478091734738
Energy: 1.4375693388955564
Energy: 1.539447809174276
Energy: 1.4407821382161832
Energy: 1.5464720027323118
Energy: 1.6454014568594488
Energy: 1.5464720027323118
Energy: 1.5356315949708685
Energy: 1.4650078329428384
Energy: 1.4201063147241573
Energy: 1.4650078329420364
Energy: 1.4196256507159686
Energy: 1.5449435363131712
Energy: 1.420603498379022
Energy: 1.5449435363131712
Energy: 1.4276134460940695
Energy: 1.4656878505051736
Energy: 1.4338312404594786
Energy: 1.465687850506778
Energy: 1.4297069313706876
Energy: 1.5427420962254752
Energy: 1.4304281742827696
Energy: 1.542742096224673
Energy: 1.430966579596184
Energy: 1.5454244238680588
Energy: 1.424544026181257
Energy: 1.5454244238680588
Energy: 1.4594142622549757
Energy: 1.5395000564538932
Energy: 1.432368737595733
Energy: 1.539500056453091
Energy: 1.4310450082086803
Energy: 1.550431164878626
Energy: 1.4633083102929092
Energy: 1.550431164878626
Energy: 1.5347399782331894
Energy: 1.4643469260326958
Energy: 1.4628714946746064
Energy: 1.4643469260326958
Energy: 1.4525599459893863
Energy: 1.4632803905486984
Energy: 1.6107974980124846
Energy: 1.4632803905495007
Energy: 1.749787287305658
Energy: 1.4294179507827445
Energy: 1.432573525989426
Energy: 1.4294179507819418
Energy: 1.435285575996032
Energy: 1.4540507053723837
Energy: 1.45891530195434
Energy: 1.4540507053723837
Energy: 1.684409067657087
Energy: 1.4489373711450264
Energy: 1.4545354681114204
Energy: 1.4489373711450264
Energy: 1.4402454524660857
Energy: 1.4635853452147694
Energy: 1.6522731557753392
Energy: 1.4635853452139673
Energy: 1.4249088240100845
Energy: 1.546411262148429
Energy: 1.4219939136293565
Energy: 1.546411262148429
Energy: 1.430042911689777
Energy: 1.541774253934969
Energy: 1.4411483015664432
Energy: 1.541774253934969
Energy: 1.4434206681602082
Energy: 1.53714925357809
Energy: 1.4331003124108705
Energy: 1.5371492535772877
Energy: 1.4413889895404746
Energy: 1.5448084533681428
Energy: 1.4294109597501254
Energy: 1.5448084533689452
Energy: 1.444023881482139
Energy: 1.464730506797421
Energy: 1.424845989975956
Energy: 1.4647305067966185
Energy: 1.4626710414879716
Energy: 1.4765155735965243
Energy: 1.4305786099823916
Energy: 1.4765155735981288
Energy: 1.4622486617295536
Energy: 1.458706671905279
Energy: 1.431701004851566
Energy: 1.4587066719060813
Energy: 1.4490634522223511
Energy: 1.4635504862581639
Energy: 1.4420868284283563
Energy: 1.4635504862581639
Energy: 1.4331805138428642
Energy: 1.528145083623397
Energy: 1.5161627329858403
Energy: 1.5281450836241994
Energy: 1.4822496629482735
Energy: 1.5494735944894753
Energy: 1.4353660880187529
Energy: 1.549473594490278
Energy: 1.432492444655216
Energy: 1.4411818654088913
Energy: 1.9078643753633457
Energy: 1.4411818654088913
Energy: 1.6518009893169237
Energy: 1.6017137075093204
Energy: 1.4402652557906852
Energy: 1.6017137075101227
Energy: 1.428636707503708
Energy: 1.4416391319878614
Energy: 1.6472250447365662
Energy: 1.4416391319878614
Energy: 1.646606097815277
Energy: 1.5204415886893563
Energy: 1.4311070592205681
Energy: 1.5204415886893563
Energy: 1.4386647252748277
Energy: 1.5418924197616493
Energy: 1.4430376062563328
Energy: 1.5418924197624517

minimum gb energy = 1.4196256507159686 eV
minimum distance =  2.20220635514423 Angstroms
sigma value = 1


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

Energy: 1.4020336160216291
Energy: 1.4015804564358156
Energy: 1.4913843897062857
Energy: 1.4015804564358156
Energy: 1.4769905272879638
Energy: 1.4281930529493776
Energy: 1.3893846960362903
Energy: 1.4281930529493776
Energy: 1.3573982013403525
Energy: 1.4014357797248025
Energy: 1.891408548494599
Energy: 1.4014357797259118
Energy: 1.4603394180761613
Energy: 1.505467816898121
Energy: 1.372141869518275
Energy: 1.505467816898121
Energy: 1.357671209042879
Energy: 1.5366722967154514
Energy: 1.6483826846489282
Energy: 1.5366722967154514
Energy: 1.356065776933771
Energy: 1.4050285296639713
Energy: 1.371839789502237
Energy: 1.4050285296639713
Energy: 1.357708089519055
Energy: 1.5392122689744083
Energy: 1.3742041850371818
Energy: 1.5392122689744083
Energy: 1.3579503412977512
Energy: 1.4061905772985042
Energy: 1.3863174839582502
Energy: 1.4061905772996137
Energy: 1.401042677509402
Energy: 1.4078109644667396
Energy: 1.3879276430343186
Energy: 1.40781096446563
Energy: 1.4010336101572856
Energy: 1.4078314705286232
Energy: 1.4089383168599474
Energy: 1.4078314705286232
Energy: 1.3579304451625618
Energy: 1.406243564331818
Energy: 1.388173277904017
Energy: 1.406243564331818
Energy: 1.3530089034762254
Energy: 1.5391716620236735
Energy: 1.3931306267192753
Energy: 1.5391716620247828
Energy: 1.3585596151223347
Energy: 1.404921044239228
Energy: 1.3718323382306337
Energy: 1.404921044239228
Energy: 1.3579140203551472
Energy: 1.5365277613953334
Energy: 1.5520771370909743
Energy: 1.5365277613942239
Energy: 1.4603221588404645
Energy: 1.5054767582685407
Energy: 1.372174572136104
Energy: 1.5054767582685407
Energy: 1.357398037506131
Energy: 1.401372716880275
Energy: 1.7532374762253564
Energy: 1.401372716880275
Energy: 1.4768244980152705
Energy: 1.4280196935036347
Energy: 1.3894071577634934
Energy: 1.4280196935036347
Energy: 1.4020336160216291
Energy: 1.401580456436925
Energy: 1.5281076860418137
Energy: 1.401580456436925
Energy: 1.4769905272801986
Energy: 1.4281930529504867
Energy: 1.3893846960362903
Energy: 1.4281930529504867
Energy: 1.3573982013392434
Energy: 1.4014357797270212
Energy: 1.891408548494599
Energy: 1.4014357797259118
Energy: 1.4603394180772709
Energy: 1.5054678168970117
Energy: 1.3721418695193843
Energy: 1.505467816898121
Energy: 1.357671209042879
Energy: 1.536672296714342
Energy: 1.648382684651147
Energy: 1.5366722967154514
Energy: 1.3560657769359896
Energy: 1.405028529662862
Energy: 1.3718397895000183
Energy: 1.405028529662862
Energy: 1.357708089520164
Energy: 1.5392122689755177
Energy: 1.3742041850394004
Energy: 1.5392122689755177

minimum gb energy = 1.3530089034762254 eV
minimum distance =  2.21823923098081 Angstroms
sigma value = 17


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

Energy: 1.387521109298381
Energy: 1.3876703230601324
Energy: 1.72119463682677
Energy: 1.3876703230601324
Energy: 1.609930848696243
Energy: 1.3767013538898638
Energy: 1.359892060375449
Energy: 1.3767013538939779
Energy: 1.3561348653894347
Energy: 1.3706556867538746
Energy: 1.6510529700553733
Energy: 1.370655686753189
Energy: 1.4510775699531293
Energy: 1.3462736780705757
Energy: 1.3546686108386359
Energy: 1.3462736780705757
Energy: 1.3458620562054313
Energy: 1.4765626515346053
Energy: 1.6911813477116755
Energy: 1.4765626515346053
Energy: 1.3459429508290273
Energy: 1.3650620572776193
Energy: 1.372621457106008
Energy: 1.365062057279676
Energy: 1.3805127294139992
Energy: 1.4552529071910933
Energy: 1.371268141964909
Energy: 1.4552529071904077
Energy: 1.3412735842857013
Energy: 1.446793494073314
Energy: 1.349421834859297
Energy: 1.446793494073314
Energy: 1.3845077663296697
Energy: 1.4507169907204054
Energy: 1.4074993323430345
Energy: 1.450716990721091
Energy: 1.3712549204646582
Energy: 1.4540341096657448
Energy: 1.3565048302559684
Energy: 1.4540341096657448
Energy: 1.3609082212307289
Energy: 1.427375000845458
Energy: 1.3521283663610535
Energy: 1.427375000845458
Energy: 1.3485871343916869
Energy: 1.4534796763171869
Energy: 1.3390479601605347
Energy: 1.4534796763158155
Energy: 1.343577742298891
Energy: 1.4453226858182369
Energy: 1.3589086188729762
Energy: 1.4453226858189225
Energy: 1.3663851738564987
Energy: 1.475360343402389
Energy: 1.3863335070310605
Energy: 1.4753603434030744
Energy: 1.34971146618677
Energy: 1.354070256480362
Energy: 1.3988396455054268
Energy: 1.354070256480362
Energy: 1.362756470169617
Energy: 1.3717782519462167
Energy: 1.6888155605653443
Energy: 1.3717782519469024
Energy: 1.4169546948121954
Energy: 1.358631154296928
Energy: 1.3587349802955742
Energy: 1.3586311542955567
Energy: 1.3492670960658175
Energy: 1.513160806286311
Energy: 1.4071756729890612
Energy: 1.5131608062869966
Energy: 1.5462466584051409
Energy: 1.4559041859727462
Energy: 1.3593196356598527
Energy: 1.4559041859686326
Energy: 1.3669227107160815
Energy: 1.3715083419559688
Energy: 1.5707165645692456
Energy: 1.3715083419559688
Energy: 1.6058037836836594
Energy: 1.366464836413488
Energy: 1.3780996180015048
Energy: 1.366464836412802
Energy: 1.3780233847432402
Energy: 1.5132515574056744
Energy: 1.5904734863043837
Energy: 1.5132515574049887
Energy: 1.5448093303992327
Energy: 1.3631088037812258
Energy: 1.3690106295918383
Energy: 1.3631088037812258
Energy: 1.359927896786622
Energy: 1.4572423814704576
Energy: 1.5524898700758103
Energy: 1.4572423814697717
Energy: 1.431922480248567
Energy: 1.5135106325430001
Energy: 1.3515348954183037
Energy: 1.5135106325430001
Energy: 1.3621805967079688
Energy: 1.4777605601501325
Energy: 1.3549924500602089
Energy: 1.4777605601494468
Energy: 1.5387231537604873
Energy: 1.4437212864491185
Energy: 1.3531690197737296
Energy: 1.4437212864477467
Energy: 1.396522762212641
Energy: 1.3559873955634731
Energy: 1.3555036194766668
Energy: 1.355987395560045
Energy: 1.386140868315883
Energy: 1.4751200661942763
Energy: 1.3714817681831086
Energy: 1.4751200661942763
Energy: 1.3738927159458296
Energy: 1.4427612593897885
Energy: 1.388504525945102
Energy: 1.4427612593904737
Energy: 1.354138348411217
Energy: 1.475204313631242
Energy: 1.359030307256623
Energy: 1.475204313631242
Energy: 1.3559998596639204
Energy: 1.4282820317614136
Energy: 1.3576666987297097
Energy: 1.4282820317600422
Energy: 1.3529739767317157
Energy: 1.4537290879953628
Energy: 1.563182280231614
Energy: 1.4537290879960483
Energy: 1.4190457661419833
Energy: 1.3781496331302312
Energy: 1.37365702510808
Energy: 1.3781496331343448
Energy: 1.3485117974283187
Energy: 1.3885869275289882
Energy: 1.393418982949213
Energy: 1.3885869275283025
Energy: 1.372430076356603
Energy: 1.457173717241796
Energy: 1.3780623843068027
Energy: 1.4571737172404249
Energy: 1.3691756623523645
Energy: 1.3676739918395653
Energy: 1.3500500916121816
Energy: 1.367673991838194
Energy: 1.6876634686282086
Energy: 1.4785436717405755
Energy: 1.3630897533873023
Energy: 1.4785436717412612

minimum gb energy = 1.3390479601605347 eV
minimum distance =  2.20994824137077 Angstroms
sigma value = 89


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

Energy: 1.230448120133013
Energy: 1.2303267136121012
Energy: 2.042071024799977
Energy: 1.2303267136121012
Energy: 1.230432016711682
Energy: 1.271047531034418
Energy: 1.2496594933958276
Energy: 1.271047531032624
Energy: 1.2467578497716136
Energy: 1.4605471945991202
Energy: 2.0420157058438995
Energy: 1.4605471945991202
Energy: 1.2311947163006458
Energy: 1.2710945647842666
Energy: 1.2495219918403107
Energy: 1.2710945647860605
Energy: 1.2460888231025005
Energy: 1.3606705227321878
Energy: 1.9851143568295326
Energy: 1.3606705227321878
Energy: 1.246236526492252
Energy: 1.231714342434884
Energy: 1.2344576687817137
Energy: 1.231714342434884
Energy: 1.246899902436765
Energy: 1.4603467397721543
Energy: 1.2301844109540438
Energy: 1.4603467397721543
Energy: 1.2475307087778278
Energy: 1.4595903017237029
Energy: 1.2495099802069063
Energy: 1.4595903017237029
Energy: 1.246082869088143
Energy: 1.3610372546806766
Energy: 1.2583283400244776
Energy: 1.3610372546806766
Energy: 1.2705061252275691
Energy: 1.359887977786347
Energy: 1.2460063110202433
Energy: 1.3598879777899349
Energy: 1.2298459877937946
Energy: 1.272456068067779
Energy: 1.2461776383961634
Energy: 1.272456068067779
Energy: 1.2299503672541792
Energy: 1.461477683323271
Energy: 1.2497369538681329
Energy: 1.461477683323271
Energy: 1.2460674421356819
Energy: 1.234630005822979
Energy: 1.2581897777481361
Energy: 1.234630005822979
Energy: 1.2461726533490833
Energy: 1.3602467022978812
Energy: 1.246195139082602
Energy: 1.3602467022978812
Energy: 1.2290277450022065
Energy: 1.2345797454738572
Energy: 1.2461331067839676
Energy: 1.2345797454738572

minimum gb energy = 1.2290277450022065 eV
minimum distance =  2.23477663988565 Angstroms
sigma value = 13


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

Energy: 1.223041015569287
Energy: 1.1813466773004981
Energy: 1.3756543203130185
Energy: 1.1813466773004981
Energy: 1.39246520081084
Energy: 1.2108864553197802
Energy: 1.1698678011575752
Energy: 1.2108864553190282
Energy: 1.1832142104989145
Energy: 1.182408552250346
Energy: 1.7722492604633397
Energy: 1.182408552250346
Energy: 1.1768014482305622
Energy: 1.2108731370302364
Energy: 1.1679743273817393
Energy: 1.2108731370294843
Energy: 1.1890701773806849
Energy: 1.27610526785117
Energy: 1.2337583378946468
Energy: 1.2761052678519218
Energy: 1.1969804406570559
Energy: 1.2109638545239076
Energy: 1.1941803131876663
Energy: 1.2109638545239076
Energy: 1.1890792527351643
Energy: 1.279486207848422
Energy: 1.5495639509968742
Energy: 1.2794862078476703
Energy: 1.1580856528333432
Energy: 1.2115485819287237
Energy: 1.194101476644138
Energy: 1.2115485819287237
Energy: 1.1890262756440853
Energy: 1.2793650872949576
Energy: 1.3746729682311691
Energy: 1.2793650872964615
Energy: 1.4048066892522857
Energy: 1.3019705434612927
Energy: 1.1683782564388687
Energy: 1.3019705434620448
Energy: 1.1891345446872437
Energy: 1.302996741098607
Energy: 1.197221884933564
Energy: 1.3029967410978551
Energy: 1.5515873966539375
Energy: 1.301998984067834
Energy: 1.1760753736964626
Energy: 1.301998984067834
Energy: 1.230190580486584
Energy: 1.2005557785958025
Energy: 1.1784773313285404
Energy: 1.2005557785958025
Energy: 1.5805346301316159
Energy: 1.3021289129386255
Energy: 1.1759627108706565
Energy: 1.3021289129386255
Energy: 1.1892086136049838
Energy: 1.1804471250467556
Energy: 1.1775007921891298
Energy: 1.1804471250475077
Energy: 1.1726419405902584
Energy: 1.3027270784580307
Energy: 1.1652861716527607
Energy: 1.3027270784587826
Energy: 1.1863098851753318
Energy: 1.179665711903112
Energy: 1.1654821522797654
Energy: 1.179665711901608
Energy: 1.2047228384670312
Energy: 1.2751697493244207
Energy: 1.190061289077073
Energy: 1.2751697493244207
Energy: 1.1859718225567295
Energy: 1.276291178036782
Energy: 1.1900322040029543
Energy: 1.2762911780375341
Energy: 1.1858823696888374
Energy: 1.27615138519591
Energy: 1.1902059569043668
Energy: 1.276151385196662
Energy: 1.2047090454200802
Energy: 1.2751716891374962
Energy: 1.1900688866019535
Energy: 1.2751716891374962
Energy: 1.1862179811736395
Energy: 1.1794524977702878
Energy: 1.1654627934501456
Energy: 1.1794524977665284
Energy: 1.172710743635433
Energy: 1.3026393790633921
Energy: 1.165202459709458
Energy: 1.3026393790633921
Energy: 1.1892152622906869
Energy: 1.1804975945808078
Energy: 1.2063293678228513
Energy: 1.1804975945808078
Energy: 1.580561160082921
Energy: 1.3020110656989397
Energy: 1.1759338897830043
Energy: 1.3020110656989397
Energy: 1.2301043670620606
Energy: 1.2006225016145506
Energy: 1.207286303410699
Energy: 1.2006225016145506
Energy: 1.5516070830770483
Energy: 1.3018805029924791
Energy: 1.1759975513089396
Energy: 1.3018805029924791
Energy: 1.1889394773634985
Energy: 1.3030217545713003
Energy: 1.1993400355420603
Energy: 1.3030217545720522
Energy: 1.404740884418414
Energy: 1.3018996492887207
Energy: 1.1681188655787844
Energy: 1.3018996492887207
Energy: 1.1889880207084877
Energy: 1.2790844284132585
Energy: 1.5561843547889525
Energy: 1.2790844284140102
Energy: 1.1579337772730602
Energy: 1.2112767199343117
Energy: 1.1941691081492625
Energy: 1.2112767199358159
Energy: 1.1892553101865346
Energy: 1.2794386546949896
Energy: 1.7330654513580948
Energy: 1.279438654694238
Energy: 1.1969879622414037
Energy: 1.2109686361532925
Energy: 1.1940894764363776
Energy: 1.2109686361525407
Energy: 1.1891875152681104
Energy: 1.2762852589521925
Energy: 1.2394610345981578
Energy: 1.2762852589514404
Energy: 1.2077904980184506
Energy: 1.2109024553921566
Energy: 1.1679851999203588
Energy: 1.2109024553921566

minimum gb energy = 1.1579337772730602 eV
minimum distance =  2.25187748711119 Angstroms
sigma value = 37


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

Energy: 1.1233670592902323
Energy: 1.122443278934272
Energy: 1.3526737013655215
Energy: 1.122443278934272
Energy: 1.1944049592005712
Energy: 1.1216594310458181
Energy: 1.0707739888791126
Energy: 1.1216594310458181
Energy: 1.0875441769225893
Energy: 1.4623740358820325
Energy: 1.8676128096456648
Energy: 1.4623740358820325
Energy: 1.0608912882529917
Energy: 1.1218137249602824
Energy: 1.0708932872376087
Energy: 1.1218137249602824
Energy: 1.0692814135397541
Energy: 1.1218447765846042
Energy: 1.0606285044418042
Energy: 1.1218447765846042
Energy: 1.0738932137267139
Energy: 1.1217120049659461
Energy: 1.0644341235691555
Energy: 1.1217120049659461
Energy: 1.1049263905386
Energy: 1.9283900294122478
Energy: 1.403015239664378
Energy: 1.9283900294109542
Energy: 1.069035144593742
Energy: 1.1232100600017374
Energy: 1.124406391670104
Energy: 1.1232100600017374
Energy: 1.069387032290678
Energy: 1.121615650196677
Energy: 1.4026032856574564
Energy: 1.121615650196677
Energy: 1.4697731946865078
Energy: 1.4263427684339631
Energy: 1.0629679367039229
Energy: 1.4263427684339631
Energy: 1.1048607123068261
Energy: 1.9211812810680309
Energy: 1.060848644386088
Energy: 1.9211812810680309
Energy: 1.4467043371187025
Energy: 1.121881404437801
Energy: 1.070821161998924
Energy: 1.121881404437801
Energy: 1.060565737089654
Energy: 1.121637506932605
Energy: 1.0742634332329122
Energy: 1.121637506932605
Energy: 1.403207960787636
Energy: 1.921158625379589
Energy: 1.0690028780738627
Energy: 1.921158625379589
Energy: 1.1216897267849664
Energy: 1.1798504343865863
Energy: 1.0688854257072369
Energy: 1.1798504343865863
Energy: 1.1220761612958519
Energy: 1.1216734939422022
Energy: 1.0709796848920143
Energy: 1.1216734939422022
Energy: 1.0605438997952308
Energy: 1.4263610290926985
Energy: 1.0740519369453334
Energy: 1.4263610290926985
Energy: 1.0606401803571222
Energy: 1.9220899115591734
Energy: 1.0689716136457872
Energy: 1.9220899115591734
Energy: 1.069937798766192
Energy: 1.1239166046763098
Energy: 1.0687632511599465
Energy: 1.1239166046763098
Energy: 1.0688477513009225
Energy: 1.5109461870595282
Energy: 1.0605848917114178
Energy: 1.5109461870595282

minimum gb energy = 1.0605438997952308 eV
minimum distance =  2.10788443468429 Angstroms
sigma value = 25


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

Energy: 1.041110332896352
Energy: 0.9800230772834324
Energy: 1.3209430677235425
Energy: 0.9800230772834324
Energy: 1.4789479779918013
Energy: 1.0053051211556834
Energy: 0.9812002276320925
Energy: 1.0053051211556834
Energy: 0.9757564584047986
Energy: 0.975451378972103
Energy: 1.2988436658770177
Energy: 0.975451378972103
Energy: 1.2231551921761283
Energy: 1.0054199270536517
Energy: 0.980915196362435
Energy: 1.0054199270536517
Energy: 0.9823402255759321
Energy: 1.0050774560703541
Energy: 0.9449347004415458
Energy: 1.0050774560703541
Energy: 0.9439617363437895
Energy: 1.005498044792145
Energy: 0.9811320162485297
Energy: 1.005498044792145
Energy: 0.9832526917305703
Energy: 0.9754665136096662
Energy: 1.2237246042854866
Energy: 0.9754665136096662
Energy: 0.9500682149312583
Energy: 1.0414794693606706
Energy: 0.9776646104415649
Energy: 1.0414794693606706
Energy: 0.9799458002458517
Energy: 1.0057277109235503
Energy: 1.4236327821503336
Energy: 1.0057277109225402
Energy: 0.9492326112712904
Energy: 0.9796500255837065
Energy: 1.042876782401317
Energy: 0.9796500255847168
Energy: 0.9834010506002274
Energy: 0.9754931741833912
Energy: 1.4624866126570966
Energy: 0.9754931741844013
Energy: 1.274535129176792
Energy: 1.3042053241661518
Energy: 0.9777896867818531
Energy: 1.3042053241671623
Energy: 0.9801984870631142
Energy: 1.0049411740005925
Energy: 1.2032992523420811
Energy: 1.0049411740005925
Energy: 1.2670805921526076
Energy: 1.0853180136070657
Energy: 0.9812211809772114
Energy: 1.0853180136070657
Energy: 0.9837881049929387
Energy: 0.9754595939854466
Energy: 0.9439091068534039
Energy: 0.9754595939864568
Energy: 1.2679302389073084
Energy: 1.157957395753964
Energy: 0.9811673285607733
Energy: 1.157957395753964
Energy: 0.98019127580746
Energy: 1.0417954863382257
Energy: 0.9500193532561511
Energy: 1.0417954863382257
Energy: 1.2377250620271454
Energy: 1.0050581884627807
Energy: 0.9812840484481964
Energy: 1.0050581884627807
Energy: 1.0398319770774742
Energy: 0.9761174469480619
Energy: 0.9500212139204509
Energy: 0.9761174469480619
Energy: 1.4605623450135856
Energy: 1.1512476159164229
Energy: 0.9817053842681577
Energy: 1.151247615917433
Energy: 0.9800852380412812
Energy: 1.041365742607646
Energy: 0.9716404845474595
Energy: 1.041365742608656
Energy: 0.975251924560375
Energy: 1.0054930796353048
Energy: 0.9812952809737743
Energy: 1.0054930796353048
Energy: 0.9834733706304682
Energy: 1.3448805089167097
Energy: 1.2686924908417891
Energy: 1.3448805089156994
Energy: 0.9440120775913362
Energy: 1.6859013562750946
Energy: 0.9813241976991225
Energy: 1.6859013562750946
Energy: 0.9811825379989546
Energy: 1.4082540501060614
Energy: 1.2665034092734975
Energy: 1.4082540501060614
Energy: 0.9489557536979638
Energy: 1.0421929659917748
Energy: 0.9752717648811857
Energy: 1.0421929659917748

minimum gb energy = 0.9439091068534039 eV
minimum distance =  2.2579340835596 Angstroms
sigma value = 41


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

Energy: 1.2929114709418723
Energy: 0.9130085814097856
Energy: 1.1761994533606575
Energy: 0.9130085814097856
Energy: 1.655208007538898
Energy: 0.8901487337780002
Energy: 0.878821364015216
Energy: 0.8901487337780002
Energy: 0.9109775722056067
Energy: 0.875848679023347
Energy: 1.1757819869083306
Energy: 0.875848679023347
Energy: 1.274106039286026
Energy: 0.8911116802799858
Energy: 0.8787454907412198
Energy: 0.8911116802799858
Energy: 0.8731654868738653
Energy: 1.1223813413335222
Energy: 0.8564247024149131
Energy: 1.1223813413335222
Energy: 1.0857047032154905
Energy: 0.891105768816318
Energy: 0.8787597368388395
Energy: 0.891105768816318
Energy: 0.8775859939408859
Energy: 0.8904936658068693
Energy: 0.9304858893256318
Energy: 0.8904936658060412
Energy: 0.8555290935009062
Energy: 0.9106845718743907
Energy: 0.874306791308264
Energy: 0.9106845718752188
Energy: 0.8815611070977898
Energy: 1.26610078685751
Energy: 1.3224752415342218
Energy: 1.26610078685751
Energy: 0.8553807986924579
Energy: 0.8761132087535499
Energy: 0.9121373735914562
Energy: 0.8761132087543781
Energy: 0.8776314573338773
Energy: 0.8906372889707885
Energy: 1.4628865594723213
Energy: 0.890637288972445
Energy: 0.8590491590966506
Energy: 0.9133119819208397
Energy: 1.2937222562041746
Energy: 0.913311981921668
Energy: 0.8819449360581485
Energy: 1.2660480406974652
Energy: 1.4626024981414485
Energy: 1.2660480406966372
Energy: 1.1330477454050474
Energy: 1.2820669380368652
Energy: 0.9121130721161608
Energy: 1.282066938036037
Energy: 0.877800068158696
Energy: 0.8905973789132334
Energy: 1.2724864225389028
Energy: 0.8905973789124052
Energy: 1.128640109642317
Energy: 1.134808766817011
Energy: 0.8744132231877031
Energy: 1.1348087668203237
Energy: 0.8819110712692148
Energy: 1.2637018206962127
Energy: 1.0653093521944335
Energy: 1.2637018206962127
Energy: 1.125399261105818
Energy: 1.264855932292028
Energy: 0.8787391711212432
Energy: 1.2648559322936845
Energy: 0.8778080185766445
Energy: 0.9107538802000424
Energy: 0.8552546729154966
Energy: 0.9107538802008706
Energy: 1.1326717753409372
Energy: 1.2669222425401536
Energy: 0.8814138391683644
Energy: 1.2669222425409816
Energy: 0.9154348451600807
Energy: 1.2635665172317032
Energy: 0.8554838019958267
Energy: 1.2635665172325317
Energy: 1.463385321667128
Energy: 1.59995263547896
Energy: 0.8787932745142979
Energy: 1.59995263547896
Energy: 1.296105120401317
Energy: 0.9105677900847177
Energy: 0.8591042543336924
Energy: 0.9105677900838895
Energy: 1.2935979054599924
Energy: 1.2698375341309314
Energy: 0.8814969127809624
Energy: 1.2698375341301031
Energy: 0.9155711104803108
Energy: 1.264314783262972
Energy: 0.8602303864899683
Energy: 1.2643147832638002
Energy: 1.2721680883398083
Energy: 1.5994352103409697
Energy: 0.8786787223343953
Energy: 1.5994352103409697
Energy: 0.8777009681618854
Energy: 1.2635770358100418
Energy: 1.1283642922090351
Energy: 1.2635770358100418
Energy: 0.8733665181796992
Energy: 1.2632752319961091
Energy: 0.8814855964099592
Energy: 1.2632752319961091
Energy: 0.8819757783295448
Energy: 1.2642759335316314
Energy: 1.1252373117181569
Energy: 1.2642759335316314
Energy: 0.8553440225944675
Energy: 1.3156764965411751
Energy: 0.8827571186832242
Energy: 1.3156764965403471
Energy: 0.8848942180680902
Energy: 1.2643948530474607
Energy: 1.132875245637221
Energy: 1.2643948530474607
Energy: 0.8590985689019853
Energy: 1.263346432531628
Energy: 0.9202781006411119
Energy: 1.2633464325307997

minimum gb energy = 0.8552546729154966 eV
minimum distance =  2.23470639305017 Angstroms
sigma value = 15


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

Energy: 1.1742934337205844
Energy: 0.8265186866519882
Energy: 1.5469592178076579
Energy: 0.82651868665269
Energy: 1.624353883590528
Energy: 0.8258101178338162
Energy: 0.8240823111361943
Energy: 0.8258101178324131
Energy: 0.8556368571175217
Energy: 0.821883195736642
Energy: 1.069487368118845
Energy: 0.8218831957373438
Energy: 1.301985860172505
Energy: 0.8256035524228489
Energy: 0.8239998027433049
Energy: 0.8256035524228489
Energy: 0.8204825999758742
Energy: 1.436477080927231
Energy: 0.7878810571033723
Energy: 1.4364770809279324
Energy: 1.1367700283826287
Energy: 0.8245882239681717
Energy: 0.8239532946675276
Energy: 0.8245882239695749
Energy: 0.8233111002986476
Energy: 0.9982219113953166
Energy: 0.846760526228662
Energy: 0.9982219113953166
Energy: 0.9827201921343485
Energy: 0.837608141016132
Energy: 0.8239561415206396
Energy: 0.8376081410147289
Energy: 0.8260692968066943
Energy: 1.4435385533352618
Energy: 1.2008788007375257
Energy: 1.4435385533352618
Energy: 0.7859304468148802
Energy: 0.8242790039362102
Energy: 0.8210779940686219
Energy: 0.8242790039369118
Energy: 0.8232319938213343
Energy: 0.8255448216081005
Energy: 1.359748336695489
Energy: 0.8255448216081005
Energy: 0.7869471537722532
Energy: 0.8220902785923767
Energy: 0.8563565816795204
Energy: 0.8220902785923767
Energy: 0.8262173421813747
Energy: 1.442821832489035
Energy: 1.4567842659884715
Energy: 1.4428218324883333
Energy: 0.7897271837223308
Energy: 1.4260249112994214
Energy: 1.175098163481647
Energy: 1.4260249112994214
Energy: 0.8233656825899779
Energy: 0.8262714515159232
Energy: 1.4629020104502073
Energy: 0.8262714515152215
Energy: 1.020768827559148
Energy: 0.8221193618552562
Energy: 0.8564323262243118
Energy: 0.8221193618545546
Energy: 0.8259047760298822
Energy: 1.442513800850979
Energy: 1.3020458011324807
Energy: 1.442513800850979
Energy: 1.018980786400396
Energy: 1.4345012359027987
Energy: 0.8210719834231236
Energy: 1.4345012359027987
Energy: 0.8231861080641781
Energy: 0.8244824013836856
Energy: 1.1363869893516174
Energy: 0.8244824013836856
Energy: 1.0168708621825286
Energy: 0.8245934444146573
Energy: 0.8240630374819378
Energy: 0.8245934444139557
Energy: 0.8260593903909611
Energy: 1.1673667092997349
Energy: 0.9629400453578753
Energy: 1.167366709298332
Energy: 1.0221080832739957
Energy: 1.4413798465737682
Energy: 0.8290846956695949
Energy: 1.441379846572365
Energy: 0.8232901265955045
Energy: 0.8246543977750986
Energy: 0.786304965757998
Energy: 0.8246543977758001
Energy: 1.3598110673598147
Energy: 0.8252092972271912
Energy: 0.8240515422558737
Energy: 0.8252092972271912
Energy: 0.8585742012148304
Energy: 1.1672282648539716
Energy: 0.7866459984151378
Energy: 1.1672282648539716
Energy: 1.3213126935581403
Energy: 1.4407526825019794
Energy: 0.8294907159141548
Energy: 1.4407526825026813
Energy: 1.1767318206326
Energy: 1.4318337481481036
Energy: 0.789744987989996
Energy: 1.4318337481467007
Energy: 1.4756444680738772
Energy: 0.8252609667325027
Energy: 0.8242341154005688
Energy: 0.8252609667275915
Energy: 0.8584729994864541
Energy: 1.4638057419981454
Energy: 0.7908085223291809
Energy: 1.4638057419974437
Energy: 1.1495593202675836
Energy: 1.4404213140015483
Energy: 0.8295062305251344
Energy: 1.4404213140008468
Energy: 0.8233285088714811
Energy: 1.431440826643535
Energy: 1.0198782603014254
Energy: 1.431440826643535
Energy: 1.13624795718946
Energy: 0.8246687650320663
Energy: 0.8238956497598733
Energy: 0.824668765032768
Energy: 0.8260034585177392
Energy: 1.464022788511622
Energy: 1.0166503865160266
Energy: 1.464022788511622
Energy: 0.7978837732336378
Energy: 1.1672612145557286
Energy: 0.8296482116596491
Energy: 1.1672612145550267
Energy: 0.8155288855303603
Energy: 1.4308781882652726
Energy: 1.022015825141476
Energy: 1.4308781882645711
Energy: 0.7861110014517843
Energy: 0.8243274428628482
Energy: 0.8267276424707353
Energy: 0.8243274428621465
Energy: 0.8259614781221661
Energy: 1.4635880272088826
Energy: 1.3757947613007733
Energy: 1.4635880272081812

minimum gb energy = 0.7859304468148802 eV
minimum distance =  2.20260337723763 Angstroms
sigma value = 85


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

Energy: 1.1946855663823268
Energy: 1.372843268955514
Energy: 0.987717158818743
Energy: 1.3728432689549055
Energy: 1.6286077939072245
Energy: 1.0898942307902897
Energy: 0.757308448846695
Energy: 1.0898942307902897
Energy: 1.1459374652619874
Energy: 0.819601573536711
Energy: 1.1314577061495392
Energy: 0.8196015735354941
Energy: 1.3764802268020282
Energy: 0.8044133962570166
Energy: 0.75745309574516
Energy: 0.8044133962557997
Energy: 0.8781112788948162
Energy: 0.7693153538179224
Energy: 0.8118661614987693
Energy: 0.7693153538173139
Energy: 1.235924996203179
Energy: 0.8815218804719921
Energy: 0.7574745215775105
Energy: 0.8815218804713837
Energy: 0.8308407283749387
Energy: 0.9553613158337878
Energy: 0.883313773735214
Energy: 0.9553613158337878
Energy: 1.08860305813669
Energy: 0.8013654453383949
Energy: 0.768100692766986
Energy: 0.8013654453371779
Energy: 0.7678158380624591
Energy: 0.9078641074875187
Energy: 1.1476440791131761
Energy: 0.9078641074875187
Energy: 0.9542119411471168
Energy: 0.8809687219770571
Energy: 0.8316641262755293
Energy: 0.8809687219764486
Energy: 0.7568931738703784
Energy: 0.8030786532310846
Energy: 1.295510232568908
Energy: 0.8030786532310846
Energy: 0.7828034184257869
Energy: 1.2843102735946443
Energy: 0.8788291761139521
Energy: 1.284310273595253
Energy: 0.7566490836987282
Energy: 0.7756991607380092
Energy: 1.4139810164914863
Energy: 0.7756991607380092
Energy: 0.709472200209946
Energy: 0.8188545356808855
Energy: 1.146425607307845
Energy: 0.8188545356808855
Energy: 0.7568759332471263
Energy: 1.0793782998747874
Energy: 1.5127254841790836
Energy: 1.0793782998747874
Energy: 0.7087628980259978
Energy: 1.3415536491437499
Energy: 1.111139821852409
Energy: 1.3415536491437499
Energy: 0.7566184647292266
Energy: 0.7780685357217615
Energy: 1.4439183744823503
Energy: 0.778068535721153
Energy: 0.9103234101160569
Energy: 0.8190506077353426
Energy: 1.146373797777937
Energy: 0.8190506077353426
Energy: 0.757353474994981
Energy: 0.8045833566651138
Energy: 1.376342969311914
Energy: 0.8045833566651138
Energy: 0.911549520166908
Energy: 1.3676955656525118
Energy: 0.8789910167301876
Energy: 1.3676955656525118
Energy: 0.758224414860501
Energy: 0.7889503127728302
Energy: 1.2357144008198155
Energy: 0.7889503127728302
Energy: 0.9836832867561762
Energy: 0.955459741408075
Energy: 0.8316799707825622
Energy: 0.955459741408075
Energy: 0.7688518308959721
Energy: 1.0766471550681633
Energy: 1.088061356101968
Energy: 1.0766471550681633
Energy: 0.9955783582995382
Energy: 1.3639977755396158
Energy: 0.7683240347052746
Energy: 1.3639977755396158
Energy: 0.833824777907839
Energy: 0.8659809046889472
Energy: 0.9553701990144186
Energy: 0.8659809046889472
Energy: 1.2946592488985598
Energy: 0.8029029253183774
Energy: 0.7582906094058594
Energy: 0.8029029253195943
Energy: 0.8809642923788676
Energy: 0.8008457261224581
Energy: 0.7826883424872862
Energy: 0.8008457261218497
Energy: 1.3026464573510563
Energy: 1.3707668798747759
Energy: 0.7573130583030167
Energy: 1.3707668798747759
Energy: 1.1469536129986173
Energy: 0.8828158807664991
Energy: 0.7071747114010305
Energy: 0.8828158807671075
Energy: 1.5126509989032033
Energy: 1.0791083592374446
Energy: 0.7582734621872961
Energy: 1.0791083592374446
Energy: 1.1957727066318635
Energy: 1.3610192703895199
Energy: 0.7087388575440232
Energy: 1.3610192703895199
Energy: 1.41069347569835
Energy: 1.3577958931676846
Energy: 0.7574000892868414
Energy: 1.3577958931676846
Energy: 1.1469315932952908
Energy: 0.8827363502339693
Energy: 0.7098950930582228
Energy: 0.8827363502339693
Energy: 1.3764515047148496
Energy: 0.8043363222469013
Energy: 0.7566311257953502
Energy: 0.8043363222469013
Energy: 0.8811852165465568
Energy: 1.3578507286738213
Energy: 0.9119743186272438
Energy: 1.3578507286738213
Energy: 1.1094493680771866
Energy: 1.2542107372637958
Energy: 0.7605017487720066
Energy: 1.2542107372637958
Energy: 0.833906573838032
Energy: 0.9305001306706358
Energy: 0.9835561007653224
Energy: 0.9305001306712443
Energy: 1.0874685105170365
Energy: 1.0764068688439286
Energy: 0.7670383471507325
Energy: 1.0764068688439286
Energy: 0.7690544136262697
Energy: 1.3575530514629834
Energy: 0.995414507359223
Energy: 1.3575530514635923
Energy: 0.7986522946294473
Energy: 1.1363351416453946
Energy: 0.8339965441874597
Energy: 1.1363351416453946
Energy: 0.7561733037244357
Energy: 0.9304312392505146
Energy: 1.283371000053001
Energy: 0.9304312392505146
Energy: 0.7827695712386227
Energy: 0.8013733505254106
Energy: 0.877920681852235
Energy: 0.8013733505272359
Energy: 0.7575580548292272
Energy: 1.357614783973468
Energy: 1.3026161016094966
Energy: 1.357614783973468

minimum gb energy = 0.7071747114010305 eV
minimum distance =  2.20109515116401 Angstroms
sigma value = 113


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

Energy: 0.020537777840933066
Energy: 0.021559616130006152
Energy: 1.2158796146063264
Energy: 0.021559616130006152
Energy: 1.215417109480224
Energy: 0.43454548123587555
Energy: 0.4342648406203495
Energy: 0.4345454812354078
Energy: 0.020537777840933066
Energy: 0.021559616130006152
Energy: 1.2158796146109
Energy: 0.02155961612953838
Energy: 1.2154171094784048
Energy: 0.43454548123587555
Energy: 0.43426484210661515
Energy: 0.43454548123499204
Energy: 0.020537777840933066
Energy: 0.02155961612953838
Energy: 1.2158796146099646
Energy: 0.021559616130006152
Energy: 1.2154171094788726
Energy: 0.43454548123587555
Energy: 0.4342648418533429
Energy: 0.4345454812354078

minimum gb energy = 0.020537777840933066 eV
minimum distance =  2.4800259452962 Angstroms
sigma value = 1