Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.560000121593475
cohesive_energy=4.400346012135227
mass=55.845
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: 0.01755210226567391
Energy: 0.01825825934140566
Energy: 0.01825825934140566
Energy: 0.018258259342052406
Energy: 0.018258259342052406
Energy: 1.163609980668802
Energy: 0.01825825934140566
Energy: 1.1636099806694489
Energy: 1.1636099806694489
Energy: 0.01825825934140566
Energy: 0.01755210226567391
Energy: 0.01825825934140566
Energy: 0.018258259342052406
Energy: 1.1636099806694489
Energy: 0.018258259342052406
Energy: 1.163609980668802

minimum gb energy = 0.01755210226567391 eV
minimum distance =  2.41817413986054 Angstroms
sigma value = 1


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

Energy: 1.285164089068464
Energy: 1.334697514067201
Energy: 1.3034777189928877
Energy: 1.3346975140687698
Energy: 1.2720038137359215
Energy: 1.3409194943317588
Energy: 1.280843601558904
Energy: 1.3409194943309743
Energy: 1.2778735490992799
Energy: 1.3319458624650578
Energy: 1.2743450369580411
Energy: 1.3319458624650578
Energy: 1.2710623929859641
Energy: 1.3483350693496896
Energy: 1.2546779636489138
Energy: 1.3483350693465521
Energy: 1.2743864581644317
Energy: 1.33611209611295
Energy: 1.2676796520101279
Energy: 1.33611209611295
Energy: 1.2103013332093675
Energy: 1.3228206368139201
Energy: 1.2461578413848986
Energy: 1.322820636779408
Energy: 1.2738595510550814
Energy: 1.333554973784208
Energy: 1.211549333210224
Energy: 1.333554973786561
Energy: 1.1547053412887995
Energy: 1.3353542741074262
Energy: 1.2574628792961315
Energy: 1.3353542741089948
Energy: 1.2548290363476988
Energy: 1.2678352366337369
Energy: 1.2756999205037365
Energy: 1.2678352366368741
Energy: 1.2506661950647988
Energy: 1.331195484643694
Energy: 1.1612944083299341
Energy: 1.3311954846429097
Energy: 1.2858087909876486
Energy: 1.3286401438676598
Energy: 1.2546491575769223
Energy: 1.328640143868444
Energy: 1.316399562760196
Energy: 1.3353606940436331
Energy: 1.2462032026474057
Energy: 1.3353606940452019
Energy: 1.2635793630778465
Energy: 1.33424434082839
Energy: 1.2737193555698556
Energy: 1.33424434082839
Energy: 1.270821213450203
Energy: 1.3390840949191607
Energy: 1.2582826030832988
Energy: 1.3390840949215137
Energy: 1.2767864961742306
Energy: 1.3359465215506656
Energy: 1.276836029269821
Energy: 1.3359465215506656
Energy: 1.2793509347710394
Energy: 1.3370924604205798
Energy: 1.2733147254433235
Energy: 1.3370924604213643
Energy: 1.274111415011878
Energy: 1.3313049047166496
Energy: 1.2146886381104889
Energy: 1.3313049047190024
Energy: 1.2813701019664971
Energy: 1.334742777278475
Energy: 1.2718118317614484
Energy: 1.3347427772776905
Energy: 1.2202111192409641
Energy: 1.3345183003288523
Energy: 1.2509734201233014
Energy: 1.3345183003288523
Energy: 1.2848234258752294
Energy: 1.2695374259143466
Energy: 1.2572535045564643
Energy: 1.269537425915131
Energy: 1.247276762159753
Energy: 1.3313897525545726
Energy: 1.1870359933961458
Energy: 1.3313897525537886
Energy: 1.2545674972736243
Energy: 1.3256156729248434
Energy: 1.2723648761065705
Energy: 1.3256156729248434
Energy: 1.2673150893148146
Energy: 1.336305504040523
Energy: 1.2151126732201607
Energy: 1.3363055040389542
Energy: 1.259687899396203
Energy: 1.3322442973864745
Energy: 1.2098538377200474
Energy: 1.3322442973872588
Energy: 1.210907325290501
Energy: 1.3239681262930696
Energy: 1.2737022114693342
Energy: 1.3239681262930696
Energy: 1.2776181389112964
Energy: 1.3359152131193628
Energy: 1.2242741255685887
Energy: 1.3359152131201473
Energy: 1.2671949121068182
Energy: 1.3383402530165032
Energy: 1.2556165219429096
Energy: 1.338340253013366
Energy: 1.2340289338663364
Energy: 1.3315024221998288
Energy: 1.2630530204854342
Energy: 1.3315024222013976
Energy: 1.2706866049726484
Energy: 1.344554081096461
Energy: 1.2848593417347622
Energy: 1.3445540810972454
Energy: 1.262225838615753
Energy: 1.334817949693361
Energy: 1.320714094160369
Energy: 1.3348179496925765
Energy: 1.2736633430289577
Energy: 1.339540117089008
Energy: 1.2634292101694555
Energy: 1.3395401170874393
Energy: 1.2816436205352157
Energy: 1.332564554099298
Energy: 1.2717899120614908
Energy: 1.3325645540985136
Energy: 1.2750884708489119
Energy: 1.345424299620477
Energy: 1.2562883948188648
Energy: 1.3454242996220456

minimum gb energy = 1.1547053412887995 eV
minimum distance =  2.30606223318627 Angstroms
sigma value = 1


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

Energy: 1.3988795362981608
Energy: 1.4550371477322592
Energy: 1.4022766362261874
Energy: 1.4550371477349424
Energy: 1.3537284937146516
Energy: 1.4291937603578255
Energy: 1.3775542481750798
Energy: 1.4291937603614029
Energy: 1.313502219386898
Energy: 1.455223627289254
Energy: 1.3585503115709252
Energy: 1.4552236272812051
Energy: 1.3429733958646253
Energy: 1.4713914155035335
Energy: 1.2918521887887016
Energy: 1.4713914155088994
Energy: 1.3432463992859982
Energy: 1.4477791638293875
Energy: 1.3549288524138126
Energy: 1.447779163823127
Energy: 1.4146665860485022
Energy: 1.4480577937384673
Energy: 1.3554915240450427
Energy: 1.4480577937322072
Energy: 1.3536263928366907
Energy: 1.4139180203308053
Energy: 1.3286178004853422
Energy: 1.4139180203299109
Energy: 1.2356732803383013
Energy: 1.4547758926993895
Energy: 1.3236172157797501
Energy: 1.454775892695812
Energy: 1.34374176972138
Energy: 1.3676429156348255
Energy: 1.388780695571183
Energy: 1.367642915633037
Energy: 1.3870084720853735
Energy: 1.4550918956799515
Energy: 1.3682496361879757
Energy: 1.4550918956754801
Energy: 1.3532835292112895
Energy: 1.4478741584477146
Energy: 1.3696621499415218
Energy: 1.4478741584521861
Energy: 1.293265947431985
Energy: 1.45188588477759
Energy: 1.3579990693935915
Energy: 1.451885884786533
Energy: 1.3680809297827752
Energy: 1.4477969223757219
Energy: 1.3553422973297062
Energy: 1.447796922376616
Energy: 1.3679784139270967
Energy: 1.448125992626255
Energy: 1.3300675462320157
Energy: 1.448125992620889
Energy: 1.2929561880882678
Energy: 1.4521758809845657
Energy: 1.366686098817526
Energy: 1.4521758809836718
Energy: 1.353294835311123
Energy: 1.4471057973132007
Energy: 1.377092732876206
Energy: 1.4471057973123067
Energy: 1.3867035993367336
Energy: 1.4549652497128271
Energy: 1.3100955756195047
Energy: 1.4549652497128271
Energy: 1.343664851523787
Energy: 1.3667308314916293
Energy: 1.3885225370289616
Energy: 1.3667308314943125
Energy: 1.2355902522952809
Energy: 1.4550315974615347
Energy: 1.2915504746650806
Energy: 1.4550315974588517
Energy: 1.3536529541138633
Energy: 1.4147344000539657
Energy: 1.2915798214799903
Energy: 1.4147344000566484
Energy: 1.4147086394002923
Energy: 1.4475064584839683
Energy: 1.3189488105527023
Energy: 1.4475064584839683
Energy: 1.3431978105556595
Energy: 1.4478759725536934
Energy: 1.3553556662513757
Energy: 1.4478759725599535
Energy: 1.3431927342235561
Energy: 1.4716320070626727
Energy: 1.303012709751724
Energy: 1.4716320070653557
Energy: 1.31384872125222
Energy: 1.4550691662101463
Energy: 1.3590970114875545
Energy: 1.4550691662047803
Energy: 1.3538047363108223
Energy: 1.4295951486740226
Energy: 1.3777947888687103
Energy: 1.4295951486775997
Energy: 1.3988795362981608
Energy: 1.4550371477322592
Energy: 1.4379523311073439
Energy: 1.4550371477349424
Energy: 1.3537284937155458
Energy: 1.4291937603578255
Energy: 1.3775542481750798
Energy: 1.4291937603605085
Energy: 1.3135022193877925
Energy: 1.4552236272901482
Energy: 1.3585503115700308
Energy: 1.4552236272812051
Energy: 1.3429733958646253
Energy: 1.4713914155035335
Energy: 1.2918521887887016
Energy: 1.4713914155088994

minimum gb energy = 1.2355902522952809 eV
minimum distance =  2.2920121889376 Angstroms
sigma value = 25


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

Energy: 1.465202739435646
Energy: 1.5861257926258523
Energy: 1.5219650298446945
Energy: 1.5861257926248127
Energy: 1.47590855489425
Energy: 1.6016090858255518
Energy: 1.464700663278742
Energy: 1.6016090858255518
Energy: 1.408521558118372
Energy: 1.5976365500293557
Energy: 1.4615405407240833
Energy: 1.5976365500293557
Energy: 1.4782652910300047
Energy: 1.6061261296845843
Energy: 1.3913634392330634
Energy: 1.6061261296845843
Energy: 1.3945696985991347
Energy: 1.5862081800344858
Energy: 1.4063021813892398
Energy: 1.5862081800355257
Energy: 1.5348952845443105
Energy: 1.59781581088652
Energy: 1.475328809848836
Energy: 1.59781581088548
Energy: 1.4755332647312227
Energy: 1.4660789161495018
Energy: 1.389851055641068
Energy: 1.4660789161474224
Energy: 1.6021445973088202
Energy: 1.5856181144880594
Energy: 1.3151778584704066
Energy: 1.5856181144870198
Energy: 1.3905393805334207
Energy: 1.5432435373866564
Energy: 1.4754293993257543
Energy: 1.5432435373876958
Energy: 1.4654855822219544
Energy: 1.598124679496052
Energy: 1.3921338108741246
Energy: 1.598124679496052
Energy: 1.4782645152839344
Energy: 1.5868143122589844
Energy: 1.4600573019995462
Energy: 1.5868143122589844
Energy: 1.4027872775677264
Energy: 1.587344081057691
Energy: 1.4595876756974038
Energy: 1.5873440810566515
Energy: 1.461258308028992
Energy: 1.6078834010098422
Energy: 1.3939564867390182
Energy: 1.6078834010119212
Energy: 1.3907480117796074
Energy: 1.6135887334009056
Energy: 1.4759442993667995
Energy: 1.6135887334029848
Energy: 1.417509371997011
Energy: 1.5860302454053923
Energy: 1.3130959839434673
Energy: 1.586030245403313
Energy: 1.4778043114822428
Energy: 1.4656357277684382
Energy: 1.3929979517222073
Energy: 1.4656357277684382
Energy: 1.3273321374375562
Energy: 1.59763626667046
Energy: 1.320063953932626
Energy: 1.59763626667046
Energy: 1.3908277187882399
Energy: 1.5901132174461885
Energy: 1.4850694835798512
Energy: 1.590113217445149
Energy: 1.394496771621181
Energy: 1.6077966614518675
Energy: 1.3942792663790986
Energy: 1.607796661453947
Energy: 1.4759659086837733
Energy: 1.5979375764940253
Energy: 1.4587304045974157
Energy: 1.5979375764929857
Energy: 1.4569953354021539
Energy: 1.5998856202905547
Energy: 1.4610111161892287
Energy: 1.5998856202926335
Energy: 1.4587797994107463
Energy: 1.585435506780019
Energy: 1.546853679012874
Energy: 1.5854355067810588
Energy: 1.475902730199613
Energy: 1.5428363571522719
Energy: 1.4593328439230153
Energy: 1.5428363571512322
Energy: 1.4070303505748807
Energy: 1.5976189167052632
Energy: 1.4656454226481075
Energy: 1.5976189167052632
Energy: 1.4590094615219613
Energy: 1.54682289859506
Energy: 1.3907787266879543
Energy: 1.5468228985971395

minimum gb energy = 1.3130959839434673 eV
minimum distance =  2.28807804595112 Angstroms
sigma value = 9


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

Energy: 1.6077907524190211
Energy: 1.7929796568278067
Energy: 1.6722139379092045
Energy: 1.7929796568253265
Energy: 1.5494731358482081
Energy: 1.779993086427161
Energy: 1.5772950436437996
Energy: 1.779993086427161
Energy: 1.5205838457888847
Energy: 1.7796821114091348
Energy: 1.56170367303061
Energy: 1.7796821114103751
Energy: 1.6061985172152715
Energy: 1.7881016214742496
Energy: 1.411088929748157
Energy: 1.7881016214767298
Energy: 1.6169369641638731
Energy: 1.7163429895457214
Energy: 1.5128843554939164
Energy: 1.7163429895457214
Energy: 1.4725995904716973
Energy: 1.696166411422467
Energy: 1.4582142455874771
Energy: 1.6961664114212271
Energy: 1.5884865690180556
Energy: 1.4111284334785177
Energy: 1.411679882632955
Energy: 1.4111284334772773
Energy: 1.507440170045082
Energy: 1.6972951151219462
Energy: 1.4621104784369665
Energy: 1.6972951151207343
Energy: 1.588194237030158
Energy: 1.7167505683817195
Energy: 1.5580071293322568
Energy: 1.7167505683841997
Energy: 1.5873992812525455
Energy: 1.7946699824126082
Energy: 1.4121159543707662
Energy: 1.7946699824126082
Energy: 1.5100461853771558
Energy: 1.7874923526389388
Energy: 1.5624220268598665
Energy: 1.7874923526389388
Energy: 1.5888550408993571
Energy: 1.6251387101109438
Energy: 1.4589061984919873
Energy: 1.6251387101121841
Energy: 1.483557312017796
Energy: 1.7800436751367876
Energy: 1.4183228130781314
Energy: 1.7800436751355473
Energy: 1.4114623214458055
Energy: 1.5581536883426204
Energy: 1.6187825950488104
Energy: 1.5581536883426204
Energy: 1.483603728312421
Energy: 1.7797445047074678
Energy: 1.5090732598943302
Energy: 1.779744504709948
Energy: 1.589596267261507
Energy: 1.6345855327305137
Energy: 1.4114460694051607
Energy: 1.6345855327305137
Energy: 1.5791308488836988
Energy: 1.7798223821694301
Energy: 1.5620929402541313
Energy: 1.7798223821719106
Energy: 1.5525697039436477
Energy: 1.7762068297045044
Energy: 1.460012930985212
Energy: 1.7762068297057443
Energy: 1.5552582217870303
Energy: 1.6406009959883956
Energy: 1.512892504709148
Energy: 1.6406009959871553
Energy: 1.5883461627370798
Energy: 1.5987348675860145
Energy: 1.4623337609142517
Energy: 1.5987348675847741
Energy: 1.5884388728401075
Energy: 1.4585993590890947
Energy: 1.459730676691393
Energy: 1.4585993590866424

minimum gb energy = 1.411088929748157 eV
minimum distance =  2.31860031116836 Angstroms
sigma value = 25


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

Energy: 1.4902817240282642
Energy: 1.989744526435027
Energy: 1.711196842231482
Energy: 1.989744526435027
Energy: 1.4947701749029825
Energy: 1.6052804886334826
Energy: 1.5005609103176885
Energy: 1.6052804886334826
Energy: 1.500829509732811
Energy: 1.5525607959221666
Energy: 1.5004042046666666
Energy: 1.5525607958991954
Energy: 1.4892579440628495
Energy: 1.5729397590490142
Energy: 1.7122823156927893
Energy: 1.5729397590551144
Energy: 1.7094781656764049
Energy: 1.4949398615396565
Energy: 1.517864154995836
Energy: 1.4949398615396565
Energy: 1.5045498834568625
Energy: 1.609487144133593
Energy: 1.5036432403739046
Energy: 1.6094871441320595
Energy: 1.517623434410996
Energy: 1.5728889899343645
Energy: 1.500030425023211
Energy: 1.572888989935898
Energy: 1.69971667826629
Energy: 1.988921724120463
Energy: 1.4906875966420745
Energy: 1.988921724121997
Energy: 1.5000022906163444
Energy: 1.7585264268495493
Energy: 1.4974534316032204
Energy: 1.7585264268495493
Energy: 1.7148072117572906
Energy: 1.5518468197258741
Energy: 1.5048842727283271
Energy: 1.5518468197182056
Energy: 1.5048733064563122
Energy: 1.7820399412629893
Energy: 1.8949476848146485
Energy: 1.7820399412629893
Energy: 1.4999339007302481
Energy: 1.4974808267188118
Energy: 1.7128481158482658
Energy: 1.4974808267188118
Energy: 1.711038778791736
Energy: 1.521127680178097
Energy: 1.4998666177964661
Energy: 1.5211276773833224
Energy: 1.49980061313507
Energy: 1.5130101710331734
Energy: 1.4906480614212287
Energy: 1.5130101709795276
Energy: 1.5176474951727263
Energy: 1.7814119495580973
Energy: 1.6991934729426106
Energy: 1.781411949553531
Energy: 1.4946579659357895
Energy: 1.5241416422708347
Energy: 1.5043711245723133
Energy: 1.5241416395082683
Energy: 1.5005960173828619
Energy: 1.5706310282908877
Energy: 1.7134085887026307
Energy: 1.5706310282908877

minimum gb energy = 1.4892579440628495 eV
minimum distance =  2.35800873419455 Angstroms
sigma value = 17


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

Energy: 1.7411818169244846
Energy: 1.7404115880171764
Energy: 1.9913130604384357
Energy: 1.7404115880189135
Energy: 1.7424375147622253
Energy: 1.6023358788316078
Energy: 1.5374112588303168
Energy: 1.6023358788316078
Energy: 1.7419703306680816
Energy: 1.5400726372075546
Energy: 1.5502932774435043
Energy: 1.5400726371745468
Energy: 1.5393371480508207
Energy: 1.7055663212915584
Energy: 1.6588386663957486
Energy: 1.7055663212898213
Energy: 1.7518774441262748
Energy: 1.544946102897178
Energy: 1.5519004621927566
Energy: 1.5449461032253633
Energy: 1.53154965695144
Energy: 1.5538326793510173
Energy: 1.7557372089832146
Energy: 1.5538326793467139
Energy: 1.5425399090749536
Energy: 1.5998838362183119
Energy: 1.5388818012550176
Energy: 1.5998838362165746
Energy: 1.748643318531346
Energy: 1.5315179728585426
Energy: 1.5393796509177833
Energy: 1.5315179728871677
Energy: 1.534409739558626
Energy: 1.6384593096789297
Energy: 1.7920405345849293
Energy: 1.6384593096850102
Energy: 1.895507741248405
Energy: 1.5516315760886779
Energy: 1.5465263190713798
Energy: 1.551631576144231
Energy: 1.5424773771178972
Energy: 1.5329226447006856
Energy: 1.745672549729865
Energy: 1.5329226447241389
Energy: 1.5363975682200592
Energy: 1.59982655710945
Energy: 1.5368069744945643
Energy: 1.599826557106844
Energy: 1.7691835280165944
Energy: 1.5300121517535692
Energy: 1.5292086834119438
Energy: 1.530012151756175
Energy: 1.5466867949173482
Energy: 1.6221063393418265
Energy: 1.748386954258531
Energy: 1.6221063393418265
Energy: 1.652164605426879
Energy: 1.5996235893789588
Energy: 1.5346641587337877
Energy: 1.5996235893798272
Energy: 1.7485838512920426
Energy: 1.6576446129225308
Energy: 1.7489896103626907
Energy: 1.6576446129277032
Energy: 1.5391480830604183
Energy: 1.6364806238228728
Energy: 1.8995097886272247
Energy: 1.6364806238228728
Energy: 1.7595548863232167
Energy: 1.541121465394811
Energy: 1.5315548479343848
Energy: 1.5411214653982857
Energy: 1.5380399883310254
Energy: 1.7078506755622156
Energy: 1.6619829049160015
Energy: 1.7078506755648215
Energy: 1.5389493163392522
Energy: 1.7028656856479354
Energy: 1.5396066519959752
Energy: 1.702865685648804
Energy: 1.6561797409165113
Energy: 1.5421033781796278
Energy: 1.7416365030876373
Energy: 1.5421033779330149
Energy: 1.53912032143972
Energy: 1.7136970676607879
Energy: 1.8981209295264272
Energy: 1.7136970676607879
Energy: 1.7988163435129594
Energy: 1.5340815868213231
Energy: 1.5377114477598912
Energy: 1.5340815868838644
Energy: 1.5303997676301893
Energy: 1.5995454251144554
Energy: 1.7425924504171084
Energy: 1.5995454251778263
Energy: 1.5287167641408819
Energy: 1.5401957029212163
Energy: 1.7653689996542514
Energy: 1.5401957029281657
Energy: 1.7970599522313264
Energy: 1.532104294499313
Energy: 1.5397073055703963
Energy: 1.532104294497576
Energy: 1.5511282057799727
Energy: 1.8541007860498797
Energy: 1.9088733196945404
Energy: 1.8541007860498797
Energy: 1.7562540274474612
Energy: 1.5536277946958714
Energy: 1.7429081750530058
Energy: 1.55362779469674
Energy: 1.793773207084782
Energy: 1.7064195007415823
Energy: 1.5423580379390993
Energy: 1.7064195007389764
Energy: 1.5364996463431395
Energy: 1.640109275892246
Energy: 1.7621823551182865
Energy: 1.640109275892246

minimum gb energy = 1.5287167641408819 eV
minimum distance =  2.35020945198998 Angstroms
sigma value = 53


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

Energy: 1.4907705313687067
Energy: 1.4903088026842055
Energy: 1.9666016178026442
Energy: 1.4903088026842055
Energy: 1.7875340096433672
Energy: 1.6197705199079715
Energy: 1.509993450475249
Energy: 1.6197705199099715
Energy: 1.4930690937441258
Energy: 1.4911531579082493
Energy: 1.7993749725610833
Energy: 1.4911531579002504
Energy: 1.4929944128504473
Energy: 1.4906921787144
Energy: 1.696103113195206
Energy: 1.4906921787144
Energy: 1.7872573783053567
Energy: 1.6198280488369743
Energy: 1.538495310748451
Energy: 1.6198280488349746
Energy: 1.4907705313707065
Energy: 1.490308802682206
Energy: 2.069439486146695
Energy: 1.4903088026802063
Energy: 1.787534009641367
Energy: 1.6197705199099715
Energy: 1.696275071374379
Energy: 1.6197705199099715
Energy: 1.4930690937441258
Energy: 1.4911531579082493
Energy: 1.7993749725590835
Energy: 1.4911531579002504
Energy: 1.4929944128484478
Energy: 1.4906921787124001
Energy: 1.8199697468196516
Energy: 1.4906921787124001
Energy: 1.7872573783033572
Energy: 1.6198280488349746
Energy: 1.7257613375267842
Energy: 1.6198280488349746
Energy: 1.4907705313707065
Energy: 1.4903088026842055
Energy: 2.0694394861486947
Energy: 1.4903088026842055
Energy: 1.787534009641367
Energy: 1.6197705199079715
Energy: 1.7998916720340505
Energy: 1.6197705199099715
Energy: 1.4930690937441258
Energy: 1.4911531579062498
Energy: 1.7993749725610833
Energy: 1.4911531579002504

minimum gb energy = 1.4903088026802063 eV
minimum distance =  2.34312794661493 Angstroms
sigma value = 9


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

Energy: 1.5939303868665262
Energy: 1.9061331093850926
Energy: 2.168771823915599
Energy: 1.906133109382132
Energy: 1.8415439319133398
Energy: 1.6549552395492677
Energy: 1.616216413621251
Energy: 1.654955239546307
Energy: 1.601369651420657
Energy: 1.5976074371842992
Energy: 1.6242173361095933
Energy: 1.5976074371813387
Energy: 1.8103537832704606
Energy: 1.8771926701284398
Energy: 1.614662366022327
Energy: 1.87719267012992
Energy: 1.8422712688791696
Energy: 1.6500998475030302
Energy: 1.620656511517246
Energy: 1.6500998475052506
Energy: 1.598496857085669
Energy: 1.5978294383298657
Energy: 1.830782850206202
Energy: 1.5978294383291256
Energy: 2.1216224191815387
Energy: 1.6534405145844981
Energy: 1.611742511856361
Energy: 1.653440514583758
Energy: 1.5938581355068422
Energy: 1.874606756311075
Energy: 1.8196553150384698
Energy: 1.874606756294052
Energy: 1.6045154766005916
Energy: 1.872968281296027
Energy: 1.6110869466007443
Energy: 1.8729682812938742
Energy: 1.604148927806991
Energy: 1.6491567738314812
Energy: 1.6071218362096749
Energy: 1.6491567738307413
Energy: 1.5960957687865487
Energy: 1.8755261607428815
Energy: 2.1318139326824217
Energy: 1.8755261607436216
Energy: 1.8206135320175914
Energy: 1.9431686026246981
Energy: 1.6079835364517956
Energy: 1.9431686026261783
Energy: 1.6055820477980927
Energy: 1.7142165826510944
Energy: 1.9638137170786416
Energy: 1.7142165826570157
Energy: 1.814412953215734
Energy: 1.9714281387265933
Energy: 1.6021545455855692
Energy: 1.9714281388094888
Energy: 1.5983926485655704
Energy: 1.7614423061202342
Energy: 1.8098181519371808
Energy: 1.7614423060291973
Energy: 1.6096466682271255
Energy: 1.8730226798375567
Energy: 1.8245710313902306
Energy: 1.8730226798419976
Energy: 1.7111277310687902
Energy: 1.762473594019251
Energy: 1.5992272805548804
Energy: 1.762473594017771
Energy: 1.6002728858020923
Energy: 1.6541747849257733
Energy: 1.8376370855125201
Energy: 1.6541747849265136
Energy: 1.858051653953305
Energy: 1.71299482867671
Energy: 1.6015994598947578
Energy: 1.7129948286759695
Energy: 1.6084741922966055
Energy: 1.64539014847191
Energy: 1.709836170525185
Energy: 1.645390148474871
Energy: 1.8186959521455723
Energy: 1.8737522402857867
Energy: 1.8126692999391052
Energy: 1.8737522402843063
Energy: 1.712998765650283
Energy: 1.7540742066481616
Energy: 1.603645332262688
Energy: 1.7540742066466812
Energy: 1.6115046621220703
Energy: 1.7676101670017303
Energy: 1.6044180947532676
Energy: 1.7676101670039508
Energy: 2.173390323513043
Energy: 1.7110475603755526
Energy: 1.5932715968719502
Energy: 1.7110475603755526
Energy: 1.6123059961943758
Energy: 1.9394208856153732
Energy: 1.9771700933992344
Energy: 1.9394208856131525
Energy: 1.7311295594322513
Energy: 1.5979916073519356
Energy: 1.6020759698645977
Energy: 1.5979916073497151
Energy: 1.814735546023441
Energy: 1.7978711409028645
Energy: 1.8103570243858484
Energy: 1.7978711409073054
Energy: 1.6101088171768594
Energy: 1.8765636047536653
Energy: 1.810471850312663
Energy: 1.8765636047536653
Energy: 1.7173763829782276
Energy: 1.5976001155590267
Energy: 1.6009292008790212
Energy: 1.5976001155605069
Energy: 1.614159920843192
Energy: 1.9377596797281522
Energy: 1.9775140359940853
Energy: 1.9377596797237115
Energy: 2.0468984128684258
Energy: 1.713068052331016
Energy: 1.5919299517435659
Energy: 1.7130680523250947
Energy: 1.6148480872167108
Energy: 1.6553010339233518
Energy: 1.6022078565363327
Energy: 1.6553010339240921
Energy: 1.6156891053060554
Energy: 1.7547894825380603
Energy: 1.602197079218357
Energy: 1.754789482542501
Energy: 1.8201223739073835
Energy: 1.8739264413713863
Energy: 1.8100918310573781
Energy: 1.8739264413721266
Energy: 1.6197260675487424
Energy: 1.753265404993684
Energy: 2.122908864622144
Energy: 1.753265404992944

minimum gb energy = 1.5919299517435659 eV
minimum distance =  2.2996870182255 Angstroms
sigma value = 73


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

Energy: 1.7283288839071675
Energy: 1.7112627122560553
Energy: 2.19065102467966
Energy: 1.711262712254881
Energy: 1.6924424219908998
Energy: 1.6655931471722552
Energy: 1.5961262119952235
Energy: 1.6655931471710808
Energy: 1.6075230463418386
Energy: 1.908354001422684
Energy: 1.6003452310383994
Energy: 1.9083540014215097
Energy: 1.623465759815996
Energy: 1.7926362566082368
Energy: 1.5941878937183833
Energy: 1.7926362566082368
Energy: 1.7192880377280382
Energy: 1.674156761083417
Energy: 1.6015013389683685
Energy: 1.6741567610822425
Energy: 1.6096738936417343
Energy: 1.9073409337449732
Energy: 2.002296967205219
Energy: 1.907340933743799
Energy: 2.0782570981339834
Energy: 1.7568474064155595
Energy: 1.603624533255364
Energy: 1.7568474064155595
Energy: 1.622037383730487
Energy: 1.5996013179777966
Energy: 1.967946688028696
Energy: 1.5996013179813193
Energy: 2.0855174943440438
Energy: 1.5944502918179702
Energy: 1.5960019058699042
Energy: 1.5944502918191443
Energy: 1.606085625655748
Energy: 1.6790897095521475
Energy: 1.6055515108439926
Energy: 1.6790897095497992
Energy: 1.6205331243154901
Energy: 1.5949584388965652
Energy: 1.9626143790127037
Energy: 1.5949584388942166
Energy: 1.8471028817440764
Energy: 1.7925856618573326
Energy: 1.625007765748866
Energy: 1.7925856618632041
Energy: 1.5967085536151633
Energy: 1.6808835303800227
Energy: 1.882969421351484
Energy: 1.6808835303823715
Energy: 2.0270680916423323
Energy: 1.7981671633716407
Energy: 1.606050295886918
Energy: 1.7981671633716407
Energy: 1.6071978101369542
Energy: 1.7844299256849574
Energy: 1.92584922104758
Energy: 1.7844299256814344
Energy: 1.9724368444861238
Energy: 1.5950129670732998
Energy: 1.6224899466225438
Energy: 1.5950129670732998
Energy: 1.7022864161164648
Energy: 1.699357505382891
Energy: 1.6081169332447798
Energy: 1.6993575053852128
Energy: 1.70220894322621
Energy: 1.7923736674081008
Energy: 1.6086859532974582
Energy: 1.792373667409275
Energy: 1.6253950433729394
Energy: 1.601442833824193
Energy: 1.6210218871334505
Energy: 1.601442833824193
Energy: 1.5970862823984358
Energy: 1.720149077042048
Energy: 2.027699513515283
Energy: 1.720149077042048
Energy: 2.023661122926462
Energy: 1.5969702564930912
Energy: 1.610079629822491
Energy: 1.5969702564907426
Energy: 1.5939269971281946
Energy: 1.6677430187023967
Energy: 1.7557206231971456
Energy: 1.6677430187000484

minimum gb energy = 1.5939269971281946 eV
minimum distance =  2.29831000796879 Angstroms
sigma value = 7


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

Energy: 1.6357804337113666
Energy: 1.6321710062877097
Energy: 2.196326311164131
Energy: 1.6321710062918613
Energy: 2.0308344618343135
Energy: 1.64323797726585
Energy: 1.587713526949172
Energy: 1.643237977258377
Energy: 1.6201370991313244
Energy: 1.8700390335377512
Energy: 1.6494977629630745
Energy: 1.8700390335402421
Energy: 1.685774951369932
Energy: 1.6830735191573893
Energy: 1.5876867208279914
Energy: 1.683073519151577
Energy: 1.621890265948409
Energy: 1.6673801423242929
Energy: 1.617840592557292
Energy: 1.6673801423276144
Energy: 1.600001516399294
Energy: 1.6306606303947337
Energy: 2.032207861870107
Energy: 1.6306606303939033
Energy: 1.825810498592696
Energy: 1.83355135656333
Energy: 1.623054715138298
Energy: 1.8335513565591781
Energy: 1.5999227780210499
Energy: 1.633055081605298
Energy: 2.0068323732244435
Energy: 1.6330550816011464
Energy: 1.870633571389459
Energy: 1.690065796198601
Energy: 1.591765384290625
Energy: 1.6900657961977705
Energy: 1.5996987475908286
Energy: 1.692206661804242
Energy: 1.8156816259901993
Energy: 1.692206661801751
Energy: 1.6709179661512832
Energy: 1.8605111722298695
Energy: 1.651776102077538
Energy: 1.8605111722340213
Energy: 1.6382790664060107
Energy: 1.668835841158744
Energy: 1.6741256574882102
Energy: 1.6688358411570834
Energy: 1.6339855077223469
Energy: 1.6316378584116482
Energy: 1.6569173652473284
Energy: 1.6316378584050435
Energy: 1.6474801869464015
Energy: 1.6450136941605658
Energy: 1.6743224073694636
Energy: 1.6450136941622264
Energy: 1.5956844169897262
Energy: 1.8218686151561978
Energy: 1.82776072450897
Energy: 1.821868615153707
Energy: 2.1955785479535734
Energy: 1.6448439272151365
Energy: 1.628299762624564
Energy: 1.6448439272167972
Energy: 1.5954170320095644
Energy: 1.6635508018950644
Energy: 1.6917971108785783
Energy: 1.663550801891743
Energy: 1.618120101251659
Energy: 1.653292227238279
Energy: 1.6736065987556668
Energy: 1.6532922272391095
Energy: 1.595459137405706
Energy: 1.86111400180092
Energy: 1.6632329851079315
Energy: 1.8611140017975984
Energy: 1.5996864499618944
Energy: 1.6688069607722738
Energy: 1.672416255222567
Energy: 1.6688069607714435
Energy: 1.670665836500368
Energy: 1.862116416312319
Energy: 1.5913521478615276
Energy: 1.8621164163214527
Energy: 1.6001770210915607
Energy: 1.8742466762813468
Energy: 1.827543628147135
Energy: 1.8742466762871592
Energy: 2.015505275211434
Energy: 1.8247632672754601
Energy: 1.6377131054112875
Energy: 1.8247632672704779
Energy: 1.6320702488237202
Energy: 1.63052726045828
Energy: 2.039280539587881
Energy: 1.630527260461601
Energy: 1.6364292001902718
Energy: 1.6694377919957881
Energy: 1.6189636260946318
Energy: 1.6694377919925045
Energy: 1.6816714962597092
Energy: 1.8629261420389094
Energy: 1.6459289708172107
Energy: 1.862926142045552
Energy: 1.6068729265486272
Energy: 1.6884549213842632
Energy: 1.7336537055325447
Energy: 1.688454921385924
Energy: 1.685823542671259
Energy: 1.6631072755122764
Energy: 1.5874762239497766
Energy: 1.6631072755081246
Energy: 1.633072166309562
Energy: 1.6331443495282003
Energy: 1.8773366774120843
Energy: 1.6331443495323523
Energy: 1.6430065873373483
Energy: 1.5841508639874426
Energy: 1.5874753697648958
Energy: 1.5841508639832909
Energy: 1.6330825511464913
Energy: 1.6327416164363173
Energy: 1.972998441135559
Energy: 1.6327416164396389

minimum gb energy = 1.5841508639832909 eV
minimum distance =  2.28947972066301 Angstroms
sigma value = 29


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

Energy: 1.5405577511749766
Energy: 1.597200167559428
Energy: 1.576404946361465
Energy: 1.5972001675532255
Energy: 1.5490883861874818
Energy: 1.543436741327675
Energy: 1.5356106848067839
Energy: 1.5434367408547456
Energy: 1.5493864850401387
Energy: 1.5976334544123485
Energy: 1.5468140805131219
Energy: 1.5976334544120916
Energy: 1.5421068765748578
Energy: 1.6096255277928844
Energy: 1.5351432274739039
Energy: 1.6096255277940095
Energy: 1.5388904993886394
Energy: 1.6104179543252681
Energy: 1.546040076486806
Energy: 1.6104179543252681
Energy: 1.5962638462308731
Energy: 1.611084649525329
Energy: 1.5963350916654442
Energy: 1.611084649525329
Energy: 1.596438812816512
Energy: 1.6106519426080086
Energy: 1.5388949262999962
Energy: 1.6106519426077195
Energy: 1.535040274368487
Energy: 1.6096478334172628
Energy: 1.5397235529397189
Energy: 1.6096478334121853
Energy: 1.5467609998247331
Energy: 1.5977717916133127
Energy: 1.550215605670486
Energy: 1.5977717916133127

minimum gb energy = 1.535040274368487 eV
minimum distance =  2.31395772786798 Angstroms
sigma value = 5


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

Energy: 1.4651132793922024
Energy: 1.4788083834892949
Energy: 1.8633869952987856
Energy: 1.4788083834892949
Energy: 1.4839074186584078
Energy: 1.4840183574820998
Energy: 1.4775743433040955
Energy: 1.4840183574523655
Energy: 1.4654209776802627
Energy: 1.4858503892866475
Energy: 1.7728041558850556
Energy: 1.4858503892835813
Energy: 1.4940737691791404
Energy: 1.5247900399279382
Energy: 1.455169258370865
Energy: 1.524790039927154
Energy: 1.462871248558959
Energy: 1.5243147412265514
Energy: 1.7978162543573255
Energy: 1.5243147412265514
Energy: 1.5045119319897666
Energy: 1.4824004594708604
Energy: 1.4566929680519147
Energy: 1.4824004594716447
Energy: 1.4645092169495686
Energy: 1.5223504883459242
Energy: 1.4835413199059446
Energy: 1.5223504883459242
Energy: 1.4619212591680135
Energy: 1.480822509654586
Energy: 1.4765384045539045
Energy: 1.480822509654586
Energy: 1.4617364248426723
Energy: 1.5230068822321432
Energy: 1.4768126254232348
Energy: 1.5230068822352805
Energy: 1.460168662817598
Energy: 1.5228238167098924
Energy: 1.4896525981931186
Energy: 1.5228238167114612
Energy: 1.4989962859442816
Energy: 1.4823326412256337
Energy: 1.4763430770414492
Energy: 1.482332641226418
Energy: 1.4784887134466198
Energy: 1.5331503058807048
Energy: 1.5615514362458947
Energy: 1.5331503058814893
Energy: 1.5038788536465952
Energy: 1.4806221082772884
Energy: 1.4755196342063883
Energy: 1.480622108280426
Energy: 1.46257910836478
Energy: 1.4793820904832222
Energy: 1.483184557065706
Energy: 1.4793820904824382
Energy: 1.4776354598598476
Energy: 1.5270434784977853
Energy: 1.4766378138389427
Energy: 1.5270434784962166
Energy: 1.4586760359706006
Energy: 1.4869229805108963
Energy: 1.5057961279655299
Energy: 1.486922980512465
Energy: 1.4818726006381027
Energy: 1.5366002307987825
Energy: 1.4626992664722378
Energy: 1.5366002307987825
Energy: 1.4610541682610116
Energy: 1.479661278761348
Energy: 1.55977500534135
Energy: 1.4796612787644856
Energy: 1.4634001382403035
Energy: 1.523927849330558
Energy: 1.4598930784357211
Energy: 1.5239278493297734
Energy: 1.4650854796660617
Energy: 1.507502658981519
Energy: 1.4806960936819162
Energy: 1.5075026590316472
Energy: 1.4918841735473887
Energy: 1.523279767069393
Energy: 1.4573371642096316
Energy: 1.5232797670701768
Energy: 1.4802876289076177
Energy: 1.5227615907941734
Energy: 1.4633023319327545
Energy: 1.5227615907910357
Energy: 1.4565727905330248
Energy: 1.4800335640478506
Energy: 1.4682749617847783
Energy: 1.4800335640462818
Energy: 1.4920928942368599
Energy: 1.4721856217529952
Energy: 1.482099293467764
Energy: 1.4721856217397322
Energy: 1.4845189140479802
Energy: 1.471801436845169
Energy: 1.4786555092109295
Energy: 1.4718014368436003
Energy: 1.4750954712771707
Energy: 1.4799261096551186
Energy: 1.4612494344140523
Energy: 1.4799261096566871
Energy: 1.4561385579229422
Energy: 1.5245723383417138
Energy: 1.4897586923699129
Energy: 1.5245723383424985
Energy: 1.5348278077522477
Energy: 1.5290668801472826
Energy: 1.458320271007938
Energy: 1.5290668801496357
Energy: 1.4765438480733677
Energy: 1.4845351773965292
Energy: 1.4671232548819069
Energy: 1.484535177398098
Energy: 1.6844025582092368
Energy: 1.479418933348439
Energy: 1.4610224307819306
Energy: 1.4794189333476546
Energy: 1.456646288338838
Energy: 1.4697947982586013
Energy: 1.6847678469201117
Energy: 1.46979479826017
Energy: 1.7448333875422826
Energy: 1.5060835966538162
Energy: 1.4662165800051958
Energy: 1.506083596660091
Energy: 1.4604576092010302
Energy: 1.4834471738888941
Energy: 1.470640200072056
Energy: 1.4834471738881099

minimum gb energy = 1.455169258370865 eV
minimum distance =  2.29427306621708 Angstroms
sigma value = 1


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

Energy: 1.6597116090243649
Energy: 1.4025130407113875
Energy: 1.8415975912083669
Energy: 1.402513040714641
Energy: 1.4263422159262085
Energy: 1.4699599962291618
Energy: 1.3760543419838371
Energy: 1.4699599962291618
Energy: 1.3892750143726906
Energy: 1.4073504347797148
Energy: 1.7121231960542511
Energy: 1.4073504347786303
Energy: 1.4061260883099644
Energy: 1.4705285280545797
Energy: 1.3897486241551797
Energy: 1.4705285280556644
Energy: 1.386691696404714
Energy: 1.4849806857303198
Energy: 1.7706559874404417
Energy: 1.4849806857270664
Energy: 1.3806253705154814
Energy: 1.4093491014661612
Energy: 1.3876875169801208
Energy: 1.4093491014661612
Energy: 1.3927979722022572
Energy: 1.4859257959986352
Energy: 1.443097655402365
Energy: 1.4859257960018888
Energy: 1.3929501561394475
Energy: 1.409379187528083
Energy: 1.4289059644289177
Energy: 1.4093791875302522
Energy: 1.4175693952118895
Energy: 1.40486305448134
Energy: 1.3994435680096267
Energy: 1.4048630544845937
Energy: 1.4166798471889703
Energy: 1.6600720670993707
Energy: 1.4693160866751953
Energy: 1.6600720670993707
Energy: 1.3930601284860311
Energy: 1.4091639909927889
Energy: 1.3999456567809103
Energy: 1.4091639909917044
Energy: 1.3929347609468188
Energy: 1.4854860043056588
Energy: 1.6634777343499256
Energy: 1.4854860043067435
Energy: 1.3803583179310617
Energy: 1.4095577247878681
Energy: 1.3849190260535802
Energy: 1.4095577247911217
Energy: 1.3812128177170702
Energy: 1.4020760060889041
Energy: 1.4820511083418662
Energy: 1.4020760060867352
Energy: 1.4008258512141603
Energy: 1.4699681865366763
Energy: 1.3890844763908416
Energy: 1.4699681865431338
Energy: 1.3893226889044343
Energy: 1.4075115567784011
Energy: 1.6971604282381294
Energy: 1.4075115567827392
Energy: 1.6204095724491312
Energy: 1.4145462930989976
Energy: 1.3792531543438178
Energy: 1.4145462930989976
Energy: 1.6597116090254496
Energy: 1.402513040714641
Energy: 1.8415974711984968
Energy: 1.4025130407168098
Energy: 1.426342215922955
Energy: 1.4699599962291618
Energy: 1.376054341982753
Energy: 1.4699599962269927
Energy: 1.3892750143737753
Energy: 1.407350434781884
Energy: 1.7121231960553358
Energy: 1.4073504347807992
Energy: 1.4061260883316549
Energy: 1.4705285280567488
Energy: 1.3897486241530108
Energy: 1.4705285280556644
Energy: 1.386691696404714
Energy: 1.4849806857324888
Energy: 1.770655987445864
Energy: 1.4849806857292354
Energy: 1.3806253705176503
Energy: 1.4093491014661612
Energy: 1.3876875169812053
Energy: 1.4093491014639923
Energy: 1.3927979722055106
Energy: 1.4859257959986352
Energy: 1.4430976553991115
Energy: 1.4859257960029733

minimum gb energy = 1.376054341982753 eV
minimum distance =  2.30120654824259 Angstroms
sigma value = 17


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

Energy: 1.3615060527335634
Energy: 1.3624960748005912
Energy: 1.9323053961988748
Energy: 1.362496074801932
Energy: 1.694478909552645
Energy: 1.3548697669516372
Energy: 1.3484826371724925
Energy: 1.3548697669456045
Energy: 1.345384847333487
Energy: 1.3624551153685145
Energy: 1.8224294313609437
Energy: 1.3624551153665037
Energy: 1.4232041705162932
Energy: 1.3413566118269333
Energy: 1.343017499259108
Energy: 1.3413566118309554
Energy: 1.3486677511198297
Energy: 1.4122555034851103
Energy: 1.609238352604672
Energy: 1.4122555034830995
Energy: 1.3532559344553592
Energy: 1.3429390911468437
Energy: 1.3455960258090491
Energy: 1.3429390911354484
Energy: 1.3553630824099243
Energy: 1.4080604049753833
Energy: 1.40240109143079
Energy: 1.4080604049740428
Energy: 1.3449737807575188
Energy: 1.6560229643028608
Energy: 1.3563099995690933
Energy: 1.6560229643035311
Energy: 1.37092692216443
Energy: 1.6490230130994528
Energy: 1.3625706208048363
Energy: 1.6490230131001231
Energy: 1.3742481932183281
Energy: 1.6482513870353626
Energy: 1.3478943200373095
Energy: 1.648251387032011
Energy: 1.3453537810076495
Energy: 1.6443428019285395
Energy: 1.3515675751848422
Energy: 1.6443428019285395
Energy: 1.3495117725557695
Energy: 1.399131796493407
Energy: 1.3658713844210446
Energy: 1.3991317964960885
Energy: 1.3510558448340513
Energy: 1.647003057154253
Energy: 1.3544595951146192
Energy: 1.647003057154253
Energy: 1.3615897911228676
Energy: 1.4114717706573288
Energy: 1.3746943945902674
Energy: 1.4114717706559883
Energy: 1.3632747402812346
Energy: 1.640957877185568
Energy: 1.3682380125297344
Energy: 1.640957877183557
Energy: 1.345432775678779
Energy: 1.362715443930553
Energy: 1.801513490615116
Energy: 1.3627154439292126
Energy: 1.36387368535856
Energy: 1.6374620127803523
Energy: 1.353719929569985
Energy: 1.6374620127776711
Energy: 1.3405646413719186
Energy: 1.3633544604051937
Energy: 1.365056920814961
Energy: 1.3633544604065342
Energy: 1.5948998873436866
Energy: 1.4014990955103945
Energy: 1.34904765724855
Energy: 1.4014990955117352
Energy: 1.3423931677969345
Energy: 1.3630020615298897
Energy: 1.698459805764212
Energy: 1.3630020615319005
Energy: 1.346249182051505
Energy: 1.3523801867104495
Energy: 1.3570563325859033
Energy: 1.3523801867091088
Energy: 1.3404151963487556
Energy: 1.6530020772077072
Energy: 1.6349657473497021
Energy: 1.6530020772077072
Energy: 1.6191847813845706
Energy: 1.3426074627936688
Energy: 1.3437873739370618
Energy: 1.3426074627929987
Energy: 1.3452764495241518
Energy: 1.409306932278376
Energy: 1.6283797150359736
Energy: 1.4093069322756948
Energy: 1.380040274585907
Energy: 1.3645859206863136
Energy: 1.341716639093107
Energy: 1.364585920682292
Energy: 1.358062662302366
Energy: 1.412633411354465
Energy: 1.3916007217530115
Energy: 1.412633411355135
Energy: 1.6612235040629106
Energy: 1.647866796115948
Energy: 1.3463356057737956
Energy: 1.647866796117289
Energy: 1.372561114679912
Energy: 1.6423980642644225
Energy: 1.3584929377066137
Energy: 1.6423980642677738
Energy: 1.3741975356583445
Energy: 1.4111933862101398
Energy: 1.3484703536621927
Energy: 1.4111933862094692
Energy: 1.3387638376578805
Energy: 1.6466341314605992
Energy: 1.396787574617096
Energy: 1.646634131459929
Energy: 1.3538061379010757
Energy: 1.4108652194558509
Energy: 1.3495642708285347
Energy: 1.4108652194571916
Energy: 1.3412097918192876
Energy: 1.6447368046383049
Energy: 1.3421241593679276
Energy: 1.6447368046369641
Energy: 1.3466179279458732
Energy: 1.6480562502007587
Energy: 1.672233545029578
Energy: 1.648056250198748
Energy: 1.4061748216071
Energy: 1.6479615339212104
Energy: 1.3453672806797954
Energy: 1.6479615339232214
Energy: 1.3495172585817903
Energy: 1.3634569596781712
Energy: 1.3786497497668952
Energy: 1.3634569596768304
Energy: 1.419337796659658
Energy: 1.409702924284782
Energy: 1.3536123359426828
Energy: 1.4097029242854522
Energy: 1.343992397051779
Energy: 1.3424035979646767
Energy: 1.3565203291290688
Energy: 1.3424035980215925
Energy: 1.3502401669860882
Energy: 1.4132145670930747
Energy: 1.3582674095855622
Energy: 1.413214567091064

minimum gb energy = 1.3387638376578805 eV
minimum distance =  2.29472451428979 Angstroms
sigma value = 89


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

Energy: 1.2060719764168857
Energy: 1.2073885560431075
Energy: 2.3848359103362404
Energy: 1.2073885560431075
Energy: 1.2081462480577785
Energy: 1.2146536852049343
Energy: 1.2131756379458467
Energy: 1.2146536852049343
Energy: 1.2123691731587398
Energy: 1.3056483865380644
Energy: 2.384013741207085
Energy: 1.3056483870412319
Energy: 1.2205405519409673
Energy: 1.2147071095018451
Energy: 1.2133525011434816
Energy: 1.214707109503599
Energy: 1.216802016965497
Energy: 1.2901776820697262
Energy: 1.635353610202992
Energy: 1.2901776820697262
Energy: 1.2137011917654559
Energy: 1.210048543109057
Energy: 1.2088138964189925
Energy: 1.210048543107303
Energy: 1.2122690174951234
Energy: 1.305146517858208
Energy: 1.2149296232167166
Energy: 1.3051465178599622
Energy: 1.2558512261207677
Energy: 1.3051992836968442
Energy: 1.2134645565792552
Energy: 1.3051992836477753
Energy: 1.2162086940661347
Energy: 1.2915516939762963
Energy: 1.2214119896909112
Energy: 1.2915516939745424
Energy: 1.2182623502028505
Energy: 1.2878202339886047
Energy: 1.2090421044933082
Energy: 1.287820233985097
Energy: 1.2125788089894676
Energy: 1.2154424124979113
Energy: 1.216587310479821
Energy: 1.2154424124979113
Energy: 1.207118422307524
Energy: 1.3053025306049233
Energy: 1.2138277520063268
Energy: 1.3053025306066774
Energy: 1.2068637168427008
Energy: 1.2090888186269242
Energy: 1.2212570343423559
Energy: 1.2090888186269242
Energy: 1.210145055652106
Energy: 1.2889776109444693
Energy: 1.2090579639717123
Energy: 1.2889776109409616
Energy: 1.2223850492231276
Energy: 1.2090484500549832
Energy: 1.2071803552097635
Energy: 1.2090484500584908

minimum gb energy = 1.2060719764168857 eV
minimum distance =  2.30909771403569 Angstroms
sigma value = 13


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

Energy: 1.1243165883104829
Energy: 1.1149519653512443
Energy: 1.8045597841419254
Energy: 1.114951965360066
Energy: 1.1483013685301984
Energy: 1.1223552530220196
Energy: 1.120240754454869
Energy: 1.1223552530131982
Energy: 1.1154874266091903
Energy: 1.115606209499104
Energy: 1.8644748797579904
Energy: 1.1156062095130714
Energy: 1.127451487736594
Energy: 1.1223046594357942
Energy: 1.1180105506435631
Energy: 1.1223046594313835
Energy: 1.119319614247462
Energy: 1.1715298543916841
Energy: 1.1253151157238332
Energy: 1.1715298544049164
Energy: 1.1334918353383912
Energy: 1.1228154067085354
Energy: 1.1206975071964322
Energy: 1.1228154067225027
Energy: 1.1187942564087385
Energy: 1.1724612950216056
Energy: 1.1682164229358416
Energy: 1.1724612950267514
Energy: 1.1340041763449085
Energy: 1.122222046052387
Energy: 1.1208724091903952
Energy: 1.122222046052387
Energy: 1.122645792610512
Energy: 1.171671583938029
Energy: 1.4023636362584644
Energy: 1.1716715839409695
Energy: 1.4509387239344078
Energy: 1.1772491748399005
Energy: 1.1183250119876433
Energy: 1.1772491748450462
Energy: 1.1240670174470169
Energy: 1.1778951765033583
Energy: 1.1323381790945224
Energy: 1.1778951765246766
Energy: 1.6461683210643245
Energy: 1.1776333320962167
Energy: 1.1167526506508947
Energy: 1.1776333321065082
Energy: 1.1321583430981073
Energy: 1.1208275211875847
Energy: 1.1326423352677466
Energy: 1.120827521190525
Energy: 1.7465074993650764
Energy: 1.1779360020756457
Energy: 1.1174919564259298
Energy: 1.1779360020756457
Energy: 1.1232942830532615
Energy: 1.115599196196752
Energy: 1.1272041475561052
Energy: 1.115599196191606
Energy: 1.1521230637619961
Energy: 1.17785857817204
Energy: 1.120921743157325
Energy: 1.177858578177921
Energy: 1.1428931344488256
Energy: 1.116046510311167
Energy: 1.1208198014612367
Energy: 1.1160465102862398
Energy: 1.1305657751779337
Energy: 1.1709864393636695
Energy: 1.1262969284194977
Energy: 1.1709864393621991
Energy: 1.1432887024135236
Energy: 1.120933173662357
Energy: 1.125948684508076
Energy: 1.1209331736645625
Energy: 1.1434765715933584
Energy: 1.1203339809897594
Energy: 1.1260093009059369
Energy: 1.1203339809772623
Energy: 1.129896243439887
Energy: 1.1713289246865786
Energy: 1.1256359149964053
Energy: 1.1713289246931948
Energy: 1.1432934243558202
Energy: 1.1159828955986317
Energy: 1.1207488549330547
Energy: 1.1159828956023075
Energy: 1.1512607091463924
Energy: 1.177813196965475
Energy: 1.1204998789180622
Energy: 1.1778131969647399
Energy: 1.1221175028435362
Energy: 1.1162943071954283
Energy: 1.1324475095663014
Energy: 1.116294307199839
Energy: 1.7062272738767519
Energy: 1.1776364542397961
Energy: 1.11777144199392
Energy: 1.1776364542449422
Energy: 1.1314538544593813
Energy: 1.1207100003278931
Energy: 1.1603198942628499
Energy: 1.120710000328628
Energy: 1.647394000481076
Energy: 1.1776052118756009
Energy: 1.1169147269250925
Energy: 1.1776052118814817
Energy: 1.1232364869031417
Energy: 1.1778593301121316
Energy: 1.161272775110468
Energy: 1.1778593301011047
Energy: 1.4521977794857144
Energy: 1.1769974673556804
Energy: 1.1185315456086558
Energy: 1.1769974673571508
Energy: 1.1246044045316395
Energy: 1.1716948818802766
Energy: 1.666447341044344
Energy: 1.1716948818736608
Energy: 1.134969900932357
Energy: 1.1224797201129104
Energy: 1.1214913952052166
Energy: 1.1224797201099699
Energy: 1.1233470839193818
Energy: 1.1720093440590522
Energy: 1.420738203686781
Energy: 1.1720093440517012
Energy: 1.1342241654037784
Energy: 1.1224420306180025
Energy: 1.1206024768935343
Energy: 1.122442030619473
Energy: 1.1233629104343836
Energy: 1.1720969949868416
Energy: 1.1519453121028582
Energy: 1.172096994989047
Energy: 1.1273327967090896
Energy: 1.1221573219424106
Energy: 1.1180893407153698
Energy: 1.1221573219291785

minimum gb energy = 1.1149519653512443 eV
minimum distance =  2.31719204458252 Angstroms
sigma value = 37


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

Energy: 1.2936013877889867
Energy: 1.0170186096427332
Energy: 1.0525065498675095
Energy: 1.0170186096427332
Energy: 1.2474819272828035
Energy: 1.006497674436212
Energy: 1.0162740828605739
Energy: 1.0064976744336822
Energy: 1.0062092651860186
Energy: 1.1010832630613443
Energy: 1.5546982090237074
Energy: 1.1010832630613443
Energy: 1.2449175358626767
Energy: 1.0065553677462622
Energy: 1.0079543435473126
Energy: 1.0065553677437329
Energy: 1.007263801680805
Energy: 1.0066615967760264
Energy: 1.0178822737808402
Energy: 1.0066615967760264
Energy: 1.0403327143466703
Energy: 1.0066502241280477
Energy: 1.285526675308707
Energy: 1.0066502241267827
Energy: 1.0038930689733854
Energy: 1.0360659856756014
Energy: 1.710563149752887
Energy: 1.0360659856743366
Energy: 1.000671933647301
Energy: 1.0079014427083675
Energy: 1.010854546157695
Energy: 1.007901442709632
Energy: 1.0173076392207723
Energy: 1.006835568634201
Energy: 1.4697938292931512
Energy: 1.0068355686367303
Energy: 1.554554360329438
Energy: 1.1041095863744033
Energy: 1.285078354290235
Energy: 1.1041095863731385
Energy: 1.0149632027196749
Energy: 1.0381331069450364
Energy: 1.2449996056477248
Energy: 1.038133106946301
Energy: 1.5776400988699195
Energy: 1.0068297059068412
Energy: 1.0078764940302063
Energy: 1.006829705908106
Energy: 1.287231029732658
Energy: 1.0068375657435575
Energy: 1.0177652419796694
Energy: 1.0068375657435575
Energy: 1.7108013008053584
Energy: 1.0237766545934595
Energy: 1.0064859354661897
Energy: 1.0237766545909301
Energy: 1.2954537006282916
Energy: 1.0247314473143785
Energy: 1.003303754326968
Energy: 1.0247314473131135
Energy: 1.2849015977354465
Energy: 1.0066748105807144
Energy: 1.0192738939560095
Energy: 1.0066748105807144
Energy: 1.2875271240248993
Energy: 1.1035907716518025
Energy: 1.0188986134574167
Energy: 1.1035907716505378
Energy: 1.2772529252010232
Energy: 1.1311417044616976
Energy: 1.0064368660225071
Energy: 1.1311417044604333
Energy: 1.005931640794399
Energy: 1.0053820571074115
Energy: 1.008514689597887
Energy: 1.0053820571061465
Energy: 1.0045090457985861
Energy: 1.0959116003773246
Energy: 1.2888356872917133
Energy: 1.0959116003861777

minimum gb energy = 1.000671933647301 eV
minimum distance =  2.31629553686484 Angstroms
sigma value = 25


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

Energy: 1.0885367890832138
Energy: 0.8674542722479979
Energy: 0.9060655976058003
Energy: 0.8674542722470103
Energy: 1.4125311942998444
Energy: 0.872183711748712
Energy: 0.8628461317976468
Energy: 0.8721837117496997
Energy: 1.0719411024353676
Energy: 0.865504068010307
Energy: 1.308889509853115
Energy: 0.8655040680073443
Energy: 1.0622042182512956
Energy: 0.8701350351345745
Energy: 0.8697329733262674
Energy: 0.8701350351345745
Energy: 0.8687848409987272
Energy: 0.8646060513894895
Energy: 0.8834644709565206
Energy: 0.8646060513865266
Energy: 1.0715114729168684
Energy: 0.8645210379532876
Energy: 0.8668907113703742
Energy: 0.8645210379542753
Energy: 0.8647670612316432
Energy: 0.8608077502780668
Energy: 1.0649949334386974
Energy: 0.8608077502751041
Energy: 0.8935822901030973
Energy: 0.881176905516546
Energy: 1.0734914613625415
Energy: 0.8811769055175336
Energy: 0.8662806829492363
Energy: 0.8719738377531642
Energy: 1.4476183957436102
Energy: 0.8719738377531642
Energy: 0.8688478233566811
Energy: 0.8621482075148027
Energy: 0.8763953934561671
Energy: 0.8621482075098647
Energy: 0.8639599971501862
Energy: 0.8609319291230059
Energy: 1.6343341056852636
Energy: 0.8609319291239935
Energy: 1.308526445424324
Energy: 0.8736881647659768
Energy: 1.0734444587982592
Energy: 0.8736881647688948
Energy: 0.8711264604483592
Energy: 0.8708187802314522
Energy: 1.4458424528524518
Energy: 0.8708187802324397
Energy: 1.305844955687748
Energy: 0.8617438628919111
Energy: 0.8670719344952845
Energy: 0.8617438628860301
Energy: 0.8677465691533832
Energy: 0.8608141164865254
Energy: 1.0707765904319362
Energy: 0.8608141164865254
Energy: 1.4597558491095983
Energy: 0.9575415481584777
Energy: 0.8654724784385502
Energy: 0.9575415481624282
Energy: 1.0777428100366087
Energy: 0.8741856656560485
Energy: 0.880847066632565
Energy: 0.8741856656481477
Energy: 1.4655062412550772
Energy: 0.8649695813520496
Energy: 0.8629303541487409
Energy: 0.8649695813490869
Energy: 1.0936045874476124
Energy: 0.86855746803469
Energy: 0.8768069384404026
Energy: 0.8685574680416033
Energy: 1.7908307883785828
Energy: 0.9513321667342233
Energy: 0.8658429790777874
Energy: 0.9513321667352108
Energy: 1.077111858303472
Energy: 0.8730796232582271
Energy: 0.8847928067040621
Energy: 0.8730796232542767
Energy: 1.0806867438013237
Energy: 0.871024965186786
Energy: 0.8702234251252294
Energy: 0.8710249651907365
Energy: 0.8680209466727994
Energy: 0.8603226801137825
Energy: 1.3026529236766218
Energy: 0.860322680112795
Energy: 1.0668357865378717
Energy: 0.9510868482777509
Energy: 0.8697592378840837
Energy: 0.9510868482777509
Energy: 0.8666539072522397
Energy: 0.9541555487535299
Energy: 1.4776294803188244
Energy: 0.9541555487535299
Energy: 0.8685842098800928
Energy: 0.8746958009189261
Energy: 1.0774729115838042
Energy: 0.8746958009159634

minimum gb energy = 0.860322680112795 eV
minimum distance =  2.31812907766914 Angstroms
sigma value = 41


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

Energy: 1.4383944286400883
Energy: 0.7619781919878399
Energy: 0.8192255006464384
Energy: 0.7619781919878399
Energy: 1.4161437408123358
Energy: 0.7615548258657594
Energy: 0.7653036752570042
Energy: 0.76155482586414
Energy: 0.7613040648607075
Energy: 0.7620091324349466
Energy: 0.8219090308612622
Energy: 0.762009132436566
Energy: 1.096014739683013
Energy: 0.7611606483604682
Energy: 0.7650152005283041
Energy: 0.7611606483604682
Energy: 0.7620762413483765
Energy: 0.7666791257587056
Energy: 1.280216168053784
Energy: 0.7666791257546571
Energy: 0.7749076707658247
Energy: 0.7611855140721874
Energy: 0.7649307660772048
Energy: 0.7611855140729971
Energy: 0.7665119607414967
Energy: 0.7607695178147628
Energy: 0.7734039495325403
Energy: 0.7607695178163821
Energy: 0.7860008708995428
Energy: 0.7625572511251267
Energy: 0.7631174007023019
Energy: 0.7625572511259364
Energy: 0.766843843640261
Energy: 0.7708989277698894
Energy: 1.0941387775316251
Energy: 0.7708989277715088
Energy: 0.7902848367772741
Energy: 0.7621164789970626
Energy: 0.7624038109330795
Energy: 0.7621164789946336
Energy: 0.7642370162566735
Energy: 0.7608187572845401
Energy: 1.6840600936259646
Energy: 0.7608187572877787
Energy: 0.7855455450399167
Energy: 0.7619475046177632
Energy: 1.4383844047346739
Energy: 0.7619475046201923
Energy: 0.7661797025709314
Energy: 1.112139018797263
Energy: 1.683330681202351
Energy: 1.1121390187940243
Energy: 1.1512199206047713
Energy: 0.8263226905422578
Energy: 0.762766161752711
Energy: 0.8263226905503545
Energy: 0.7641562618889226
Energy: 0.7609895801217617
Energy: 1.421291141846639
Energy: 0.7609895801217617
Energy: 1.141724297805031
Energy: 0.7626728007765021
Energy: 0.7634981726432448
Energy: 0.7626728007765021
Energy: 0.7665644246054426
Energy: 0.7646620300657212
Energy: 1.1000886079351717
Energy: 0.7646620300649116
Energy: 1.1209589897271366
Energy: 0.8273025573482101
Energy: 0.765059296854593
Energy: 0.8273025573465906
Energy: 0.7639906801559562
Energy: 0.7623455469539451
Energy: 0.7823387599166679
Energy: 0.7623455469547548
Energy: 1.0945809660023322
Energy: 0.7639301108243388
Energy: 0.7694756045689474
Energy: 0.7639301108235291
Energy: 0.7649456348117349
Energy: 1.115288664652903
Energy: 0.8005251242029028
Energy: 1.115288664652903
Energy: 1.681314813167179
Energy: 1.4379010129934477
Energy: 0.7686236205754765
Energy: 1.4379010129918284
Energy: 1.4410303947131333
Energy: 0.7622039833921331
Energy: 0.7824006794456414
Energy: 0.7622039833929428
Energy: 1.4148064167333283
Energy: 1.1154095248832658
Energy: 0.7686188187069787
Energy: 1.115409524880837
Energy: 0.765323551498221
Energy: 0.8229897475611013
Energy: 0.7983627269447104
Energy: 0.822989747561911
Energy: 1.4178323224428584
Energy: 1.4401829337288854
Energy: 0.7647408309218336
Energy: 1.4401829337280758
Energy: 0.7657684650820493
Energy: 0.7627371676235261
Energy: 1.1424076733460613
Energy: 0.7627371676235261
Energy: 0.7724385882002888
Energy: 1.1159606510548878
Energy: 0.7666978317274796
Energy: 1.1159606510565072
Energy: 0.766383774486915
Energy: 0.8242164587064427
Energy: 1.121855346418343
Energy: 0.8242164587210167
Energy: 0.783346629620188
Energy: 1.1305826353591364
Energy: 0.7667359786915571
Energy: 1.130582635357517
Energy: 0.7675929911165149
Energy: 0.7633474257095327
Energy: 1.0920416551578878
Energy: 0.763347425713581
Energy: 0.787482247389812
Energy: 1.1166675075233667
Energy: 0.7680551631418028
Energy: 1.1166675075241765

minimum gb energy = 0.7607695178147628 eV
minimum distance =  2.30848666267156 Angstroms
sigma value = 15


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

Energy: 1.2525739351159695
Energy: 0.6863837657301428
Energy: 0.7489501494687602
Energy: 0.6863837657280851
Energy: 1.483355576861775
Energy: 0.6953707298792254
Energy: 0.6869458477232137
Energy: 0.6953707299073476
Energy: 0.6877749795510903
Energy: 0.6849080958183867
Energy: 1.6794539493456768
Energy: 0.6849080958177007
Energy: 1.2533649150174588
Energy: 0.6875159944423618
Energy: 0.6872837310268596
Energy: 0.6875159943299354
Energy: 0.6848448904941933
Energy: 0.6952857931007909
Energy: 1.2184781933012763
Energy: 0.6952857931083357
Energy: 0.9848771864533205
Energy: 0.6967623711309924
Energy: 0.6877648776283902
Energy: 0.6967623711316783
Energy: 0.6872916693945621
Energy: 0.6858616757395164
Energy: 0.7054296961819839
Energy: 0.6858616757388304
Energy: 0.7044222529036219
Energy: 0.6858973551631993
Energy: 0.6875543758103339
Energy: 0.6858973551625133
Energy: 0.6875312400582075
Energy: 0.6862384145484817
Energy: 0.9794766887295825
Energy: 0.6862384144922998
Energy: 0.7146887727208754
Energy: 0.6967975443366254
Energy: 0.6861126831098425
Energy: 0.6967975443345678
Energy: 0.6862942659720659
Energy: 0.6861557027639008
Energy: 1.2545673416855423
Energy: 0.6861557027680163
Energy: 0.7136014597700068
Energy: 0.6846580984399026
Energy: 0.6879801715822743
Energy: 0.6846580984405886
Energy: 0.6876314045581947
Energy: 0.6890208687225352
Energy: 1.4856956403902577
Energy: 0.6890208687252789
Energy: 0.7167446440873184
Energy: 0.68643398524102
Energy: 1.2530396861695594
Energy: 0.6864339852389622
Energy: 0.68661282543016
Energy: 0.6948935931893423
Energy: 1.7146435107302829
Energy: 0.6948935931783677
Energy: 1.0255086747842406
Energy: 0.6844332873512913
Energy: 0.6883041221766425
Energy: 0.6844332873492336
Energy: 0.6902468867407983
Energy: 0.6908336418680635
Energy: 1.487846113287461
Energy: 0.6908336420065543
Energy: 1.0188964620393723
Energy: 0.6905783655732215
Energy: 0.6865302037994588
Energy: 0.6905783655821383
Energy: 0.6869444735650413
Energy: 0.6955995321954638
Energy: 1.260118566776395
Energy: 0.6955995321968356
Energy: 1.004905303817615
Energy: 0.6853771029852023
Energy: 0.6873382151106769
Energy: 0.6853771029790291
Energy: 0.6890924742102699
Energy: 0.6980684801620473
Energy: 0.9843916526083426
Energy: 0.6980684801524445
Energy: 0.9847515803851639
Energy: 0.6857126140593834
Energy: 0.6906173702504026
Energy: 0.6857126140607552
Energy: 0.6880462351610306
Energy: 0.695041082189244
Energy: 0.7136924573021907
Energy: 0.6950410821871863
Energy: 1.5183948465814272
Energy: 0.6933415401339388
Energy: 0.686563074429207
Energy: 0.6933415401744072
Energy: 0.6898584901726983
Energy: 0.697121359247663
Energy: 0.7283407544435525
Energy: 0.69712135924149
Energy: 1.4800041697984088
Energy: 0.6864835139507102
Energy: 0.6908776405515378
Energy: 0.686483513952082
Energy: 1.254377704660882
Energy: 0.6855857823254949
Energy: 0.7152181191832615
Energy: 0.6855857823350975
Energy: 1.7122498647567972
Energy: 0.695921316772806
Energy: 0.686622931463745
Energy: 0.6959213167659468
Energy: 0.6903454712540952
Energy: 0.6923865621491248
Energy: 0.7256198204088936
Energy: 0.6923865620654442
Energy: 1.2510218859027002
Energy: 1.2800290619606447
Energy: 0.6904918295276495
Energy: 1.2800290619633885
Energy: 0.6861626307269084
Energy: 1.2775897885404646
Energy: 1.01825123203534
Energy: 1.2775897885404646
Energy: 1.259260631877086
Energy: 0.6937925420754939
Energy: 0.6874613819584142
Energy: 0.6937925420741219
Energy: 0.6884271872256225
Energy: 1.011396633680314
Energy: 1.0070219772017521
Energy: 1.0113966336851152
Energy: 0.7027740717397836
Energy: 0.694093405783247
Energy: 0.6894452817142763
Energy: 0.694093405783933
Energy: 0.6902946316591396
Energy: 1.277988987118311
Energy: 0.9813354099055988
Energy: 1.277988987117625
Energy: 0.7101485473350689
Energy: 0.6943807142273828
Energy: 0.690351461604881
Energy: 0.6943807142109211
Energy: 0.6889433483393005
Energy: 0.7421296943437748
Energy: 1.5152684822385425
Energy: 0.7421296943526916

minimum gb energy = 0.6844332873492336 eV
minimum distance =  2.31379083975154 Angstroms
sigma value = 85


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

Energy: 1.1022887703061017
Energy: 0.6069271250462096
Energy: 0.6873205737099165
Energy: 0.6069271250468046
Energy: 1.491747987376323
Energy: 0.6071909050578292
Energy: 0.5962019978147773
Energy: 0.607190905059019
Energy: 1.0851663801956752
Energy: 0.6060115028450482
Energy: 1.591455405686713
Energy: 0.6060115028444534
Energy: 1.2962340455797103
Energy: 0.6068412071783421
Energy: 0.5961253612144904
Energy: 0.6068412071396745
Energy: 0.6063137976334915
Energy: 0.5947114834057986
Energy: 0.6206928767970471
Energy: 0.5947114834063935
Energy: 1.1001192543034815
Energy: 0.6058687119831573
Energy: 0.5956755436241362
Energy: 0.605868711984347
Energy: 0.5934835099891048
Energy: 0.6150668017600328
Energy: 0.6308776801492254
Energy: 0.6150668017600328
Energy: 0.8651002458543459
Energy: 0.6061749953359297
Energy: 0.5962819298220319
Energy: 0.6061749953371193
Energy: 0.5957902451150604
Energy: 0.5982779736226846
Energy: 0.8638252941438157
Energy: 0.5982779735852338
Energy: 0.6305490230053508
Energy: 0.6146720719339255
Energy: 0.5943177045711572
Energy: 0.6146720719339255
Energy: 0.5968897319248736
Energy: 0.6054726162753644
Energy: 1.1000910221699536
Energy: 0.6054726162783389
Energy: 0.6189799240195405
Energy: 0.6084329277085981
Energy: 0.6064824898243562
Energy: 0.608432927709788
Energy: 0.5962244922139611
Energy: 0.5980241994594847
Energy: 1.2950232500258043
Energy: 0.5980241994559152
Energy: 0.6349212424469948
Energy: 0.6058514915417218
Energy: 1.0855778459158238
Energy: 0.6058514915423168
Energy: 0.5969717733155396
Energy: 0.606280900739898
Energy: 1.6971852677627652
Energy: 0.6062809007410878
Energy: 0.6173233318174488
Energy: 0.6071886712963983
Energy: 1.1024192062594595
Energy: 0.607188671296993
Energy: 0.5954605602530901
Energy: 0.5975251182713406
Energy: 1.6971480473391796
Energy: 0.5975251182624441
Energy: 0.9048803315049132
Energy: 0.6060084797631607
Energy: 1.0856157523250223
Energy: 0.6060084797637556
Energy: 0.5974413071592933
Energy: 0.6064195012847081
Energy: 1.4913165256734806
Energy: 0.6064195012829234
Energy: 0.8820323027142266
Energy: 0.6093722893595458
Energy: 0.606254625704936
Energy: 0.6093722893613306
Energy: 0.59550841365964
Energy: 0.5983495290052658
Energy: 1.293398939580509
Energy: 0.5983495290052658
Energy: 0.86970921813099
Energy: 0.6053202818003771
Energy: 0.5938902245783486
Energy: 0.6053202817968079
Energy: 0.597438356230215
Energy: 0.6055531404199795
Energy: 1.0940965698791203
Energy: 0.6055531404211693
Energy: 0.8430592578541333
Energy: 0.6153010532435569
Energy: 0.5963635558949435
Energy: 0.6153010532435569
Energy: 0.5953074895307335
Energy: 0.6049519496782743
Energy: 0.8559913883570445
Energy: 0.6049519496782743
Energy: 1.3350786659876188
Energy: 0.6053057407841282
Energy: 0.5985698224598811
Energy: 0.6053057407775845
Energy: 0.6081617628133291
Energy: 0.6065488422763629
Energy: 0.617165754380629
Energy: 0.6065488422573264
Energy: 1.3228314060837294
Energy: 0.6143160328515579
Energy: 0.5963268384978538
Energy: 0.6143160328497732
Energy: 1.0866786066892105
Energy: 0.6057984053604382
Energy: 0.6342408667104635
Energy: 0.6057984053610329
Energy: 1.6962968805918182
Energy: 0.6060951736985244
Energy: 0.5990789553877244
Energy: 0.6060951736985244
Energy: 1.1038514791240637
Energy: 0.6049520407632735
Energy: 0.6172819269421307
Energy: 0.6049520407614887
Energy: 1.4903530678229482
Energy: 0.6145155401740471
Energy: 0.5963049386151215
Energy: 0.6145155401728573
Energy: 1.086916726223515
Energy: 0.6063524070624767
Energy: 0.6336622309041646
Energy: 0.6063524070636666
Energy: 1.4963616559482953
Energy: 0.6069188176749715
Energy: 0.5991388613046444
Energy: 0.6069188176803255
Energy: 0.6075768604436972
Energy: 0.6050045992102696
Energy: 0.8817908392843689
Energy: 0.6050045992114593
Energy: 1.0837676991974607
Energy: 0.614205443037007
Energy: 0.5959769264183216
Energy: 0.6142054430358173
Energy: 0.5952149941369898
Energy: 0.6055720073191364
Energy: 0.8683111670964702
Energy: 0.6055720073197315
Energy: 1.094057483003157
Energy: 0.6053839749456742
Energy: 0.5993460758579611
Energy: 0.6053839749486487
Energy: 0.5975302602494874
Energy: 0.6066331104547007
Energy: 0.8440014654599407
Energy: 0.606633110501075
Energy: 0.5969566011249456
Energy: 0.6238625592467387
Energy: 0.5973247146705505
Energy: 0.6238625592491183
Energy: 0.5976398934177058
Energy: 0.6054894371006713
Energy: 1.3438598541890978
Energy: 0.6054894370994814
Energy: 0.6180620826174983
Energy: 0.6058482980359999
Energy: 0.6098453057745629
Energy: 0.6058482979914105
Energy: 0.5973253634452133
Energy: 0.6060043685577492
Energy: 1.3192403245130184
Energy: 0.606004368542877

minimum gb energy = 0.5934835099891048 eV
minimum distance =  2.32049377906359 Angstroms
sigma value = 113


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

Energy: 0.01985113120345892
Energy: 0.020527612605309137
Energy: 1.0438200558175983
Energy: 0.020527612603987996
Energy: 1.0479248379547172
Energy: 0.1690923218283568
Energy: 0.16981048863671594
Energy: 0.16909232182967796
Energy: 0.01985113120345892
Energy: 0.020527612605309137
Energy: 1.0438200558153625
Energy: 0.02052761260444531
Energy: 1.0479248379627457
Energy: 0.1690923218283568
Energy: 0.16981048863940904
Energy: 0.16909232182967796
Energy: 0.01985113120345892
Energy: 0.020527612605766455
Energy: 1.0438200558131268
Energy: 0.020527612603987996
Energy: 1.0479248379560384
Energy: 0.1690923218283568
Energy: 0.16981048863940904
Energy: 0.16909232182927145

minimum gb energy = 0.01985113120345892 eV
minimum distance =  2.51341909397198 Angstroms
sigma value = 1